USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 867 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 105 THR OG1 : rot 121:sc= 0.0816 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0.0816 USER MOD Set 2.1: A 81 THR OG1 : rot 168:sc= -1.54! USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.466 K(o=-0.47,f=-7.6!) USER MOD Set 3.2: A 84 SER OG : rot 64:sc= 0 USER MOD Set 4.1: A 32 ASN : amide:sc= -6.08! K(o=-8.4!,f=-2.3) USER MOD Set 4.2: A 115 ASN : amide:sc= -2.33! K(o=-8.4!,f=-2.3) USER MOD Set 5.1: A 16 TYR OH : rot 165:sc= -0.204 USER MOD Set 5.2: A 109 ASN : amide:sc= -0.567 K(o=-0.77,f=-2.5!) USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -145:sc= 0 (180deg=-0.0806) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.28 (180deg=-1.94!) USER MOD Single : A 8 SER OG : rot -50:sc= -0.718 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -1.27 (180deg=-1.72) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 26 SER OG : rot -71:sc= 0.304 USER MOD Single : A 29 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.19) USER MOD Single : A 31 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.98) USER MOD Single : A 39 CYS SG : rot -77:sc= -0.0189 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 8:sc= 0.0086 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 48 CYS SG : rot -6:sc= -0.132 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 64 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-5.3!) USER MOD Single : A 67 SER OG : rot -25:sc= 0.0126 USER MOD Single : A 71 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : A 73 MET CE :methyl 178:sc= 0 (180deg=-0.00471) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.12 USER MOD Single : A 89 GLN : amide:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 93 THR OG1 : rot 132:sc= 0.627 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 57:sc= 0.937 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 28:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.329 0.420 -0.508 1.00 2.54 N ATOM 2 CA MET A 1 2.985 0.400 -1.810 1.00 3.12 C ATOM 3 C MET A 1 1.979 0.646 -2.930 1.00 20.44 C ATOM 4 O MET A 1 1.674 -0.241 -3.728 1.00 14.15 O ATOM 5 CB MET A 1 3.692 -0.939 -2.028 1.00 30.22 C ATOM 6 CG MET A 1 4.517 -0.990 -3.303 1.00 62.34 C ATOM 7 SD MET A 1 5.251 -2.612 -3.591 1.00 72.15 S ATOM 8 CE MET A 1 6.573 -2.189 -4.724 1.00 32.44 C ATOM 0 H1 MET A 1 2.799 1.115 0.107 1.00 2.54 H new ATOM 0 H2 MET A 1 1.330 0.682 -0.627 1.00 2.54 H new ATOM 0 H3 MET A 1 2.390 -0.523 -0.074 1.00 2.54 H new ATOM 0 HA MET A 1 3.725 1.200 -1.829 1.00 3.12 H new ATOM 0 HB2 MET A 1 4.342 -1.140 -1.176 1.00 30.22 H new ATOM 0 HB3 MET A 1 2.947 -1.734 -2.055 1.00 30.22 H new ATOM 0 HG2 MET A 1 3.885 -0.726 -4.151 1.00 62.34 H new ATOM 0 HG3 MET A 1 5.308 -0.242 -3.250 1.00 62.34 H new ATOM 0 HE1 MET A 1 6.707 -2.996 -5.445 1.00 32.44 H new ATOM 0 HE2 MET A 1 6.320 -1.270 -5.252 1.00 32.44 H new ATOM 0 HE3 MET A 1 7.498 -2.044 -4.166 1.00 32.44 H new ATOM 18 N PRO A 2 1.450 1.877 -2.992 1.00 63.30 N ATOM 19 CA PRO A 2 0.471 2.267 -4.010 1.00 74.34 C ATOM 20 C PRO A 2 1.086 2.354 -5.403 1.00 75.10 C ATOM 21 O PRO A 2 2.221 1.927 -5.619 1.00 53.45 O ATOM 22 CB PRO A 2 0.005 3.648 -3.544 1.00 1.31 C ATOM 23 CG PRO A 2 1.139 4.177 -2.736 1.00 3.33 C ATOM 24 CD PRO A 2 1.768 2.983 -2.074 1.00 25.14 C ATOM 0 HA PRO A 2 -0.335 1.538 -4.100 1.00 74.34 H new ATOM 0 HB2 PRO A 2 -0.215 4.298 -4.391 1.00 1.31 H new ATOM 0 HB3 PRO A 2 -0.906 3.579 -2.950 1.00 1.31 H new ATOM 0 HG2 PRO A 2 1.859 4.697 -3.368 1.00 3.33 H new ATOM 0 HG3 PRO A 2 0.788 4.895 -1.994 1.00 3.33 H new ATOM 0 HD2 PRO A 2 2.844 3.110 -1.955 1.00 25.14 H new ATOM 0 HD3 PRO A 2 1.356 2.811 -1.080 1.00 25.14 H new ATOM 32 N LEU A 3 0.330 2.909 -6.344 1.00 62.14 N ATOM 33 CA LEU A 3 0.802 3.053 -7.717 1.00 74.34 C ATOM 34 C LEU A 3 0.887 4.523 -8.113 1.00 1.54 C ATOM 35 O LEU A 3 -0.030 5.302 -7.848 1.00 23.34 O ATOM 36 CB LEU A 3 -0.128 2.308 -8.677 1.00 51.22 C ATOM 37 CG LEU A 3 0.148 2.507 -10.168 1.00 72.51 C ATOM 38 CD1 LEU A 3 1.322 1.649 -10.612 1.00 64.23 C ATOM 39 CD2 LEU A 3 -1.092 2.182 -10.988 1.00 34.41 C ATOM 0 H LEU A 3 -0.611 3.266 -6.182 1.00 62.14 H new ATOM 0 HA LEU A 3 1.801 2.621 -7.779 1.00 74.34 H new ATOM 0 HB2 LEU A 3 -0.068 1.242 -8.456 1.00 51.22 H new ATOM 0 HB3 LEU A 3 -1.153 2.619 -8.473 1.00 51.22 H new ATOM 0 HG LEU A 3 0.405 3.553 -10.334 1.00 72.51 H new ATOM 0 HD11 LEU A 3 1.504 1.804 -11.676 1.00 64.23 H new ATOM 0 HD12 LEU A 3 2.211 1.929 -10.047 1.00 64.23 H new ATOM 0 HD13 LEU A 3 1.094 0.599 -10.432 1.00 64.23 H new ATOM 0 HD21 LEU A 3 -0.877 2.329 -12.046 1.00 34.41 H new ATOM 0 HD22 LEU A 3 -1.380 1.145 -10.817 1.00 34.41 H new ATOM 0 HD23 LEU A 3 -1.909 2.839 -10.689 1.00 34.41 H new ATOM 51 N ILE A 4 1.992 4.896 -8.749 1.00 42.40 N ATOM 52 CA ILE A 4 2.195 6.273 -9.184 1.00 22.14 C ATOM 53 C ILE A 4 2.463 6.342 -10.683 1.00 55.13 C ATOM 54 O ILE A 4 3.230 5.547 -11.226 1.00 61.34 O ATOM 55 CB ILE A 4 3.367 6.933 -8.434 1.00 24.13 C ATOM 56 CG1 ILE A 4 3.228 6.710 -6.926 1.00 75.55 C ATOM 57 CG2 ILE A 4 3.429 8.420 -8.751 1.00 20.42 C ATOM 58 CD1 ILE A 4 1.884 7.134 -6.375 1.00 25.12 C ATOM 0 H ILE A 4 2.761 4.265 -8.975 1.00 42.40 H new ATOM 0 HA ILE A 4 1.277 6.814 -8.956 1.00 22.14 H new ATOM 0 HB ILE A 4 4.297 6.471 -8.766 1.00 24.13 H new ATOM 0 HG12 ILE A 4 3.385 5.654 -6.707 1.00 75.55 H new ATOM 0 HG13 ILE A 4 4.014 7.263 -6.411 1.00 75.55 H new ATOM 0 HG21 ILE A 4 4.262 8.872 -8.213 1.00 20.42 H new ATOM 0 HG22 ILE A 4 3.571 8.558 -9.823 1.00 20.42 H new ATOM 0 HG23 ILE A 4 2.498 8.897 -8.444 1.00 20.42 H new ATOM 0 HD11 ILE A 4 1.856 6.948 -5.301 1.00 25.12 H new ATOM 0 HD12 ILE A 4 1.733 8.197 -6.563 1.00 25.12 H new ATOM 0 HD13 ILE A 4 1.094 6.563 -6.863 1.00 25.12 H new ATOM 70 N THR A 5 1.825 7.300 -11.349 1.00 1.30 N ATOM 71 CA THR A 5 1.994 7.475 -12.786 1.00 70.30 C ATOM 72 C THR A 5 3.031 8.549 -13.091 1.00 41.43 C ATOM 73 O THR A 5 2.870 9.709 -12.709 1.00 74.41 O ATOM 74 CB THR A 5 0.665 7.852 -13.466 1.00 55.51 C ATOM 75 OG1 THR A 5 -0.310 6.828 -13.240 1.00 61.21 O ATOM 76 CG2 THR A 5 0.859 8.053 -14.961 1.00 65.14 C ATOM 0 H THR A 5 1.186 7.967 -10.915 1.00 1.30 H new ATOM 0 HA THR A 5 2.338 6.520 -13.182 1.00 70.30 H new ATOM 0 HB THR A 5 0.315 8.789 -13.032 1.00 55.51 H new ATOM 0 HG1 THR A 5 -1.152 7.077 -13.674 1.00 61.21 H new ATOM 0 HG21 THR A 5 -0.094 8.319 -15.419 1.00 65.14 H new ATOM 0 HG22 THR A 5 1.579 8.854 -15.130 1.00 65.14 H new ATOM 0 HG23 THR A 5 1.231 7.131 -15.407 1.00 65.14 H new ATOM 84 N PHE A 6 4.096 8.158 -13.783 1.00 22.22 N ATOM 85 CA PHE A 6 5.161 9.088 -14.139 1.00 53.54 C ATOM 86 C PHE A 6 4.955 9.635 -15.549 1.00 44.30 C ATOM 87 O PHE A 6 4.569 8.903 -16.460 1.00 73.31 O ATOM 88 CB PHE A 6 6.523 8.400 -14.041 1.00 25.31 C ATOM 89 CG PHE A 6 6.842 7.896 -12.662 1.00 45.41 C ATOM 90 CD1 PHE A 6 6.683 8.716 -11.557 1.00 13.23 C ATOM 91 CD2 PHE A 6 7.303 6.603 -12.472 1.00 14.33 C ATOM 92 CE1 PHE A 6 6.975 8.256 -10.287 1.00 10.15 C ATOM 93 CE2 PHE A 6 7.596 6.138 -11.204 1.00 30.50 C ATOM 94 CZ PHE A 6 7.433 6.965 -10.110 1.00 42.22 C ATOM 0 H PHE A 6 4.244 7.203 -14.109 1.00 22.22 H new ATOM 0 HA PHE A 6 5.132 9.921 -13.436 1.00 53.54 H new ATOM 0 HB2 PHE A 6 6.550 7.564 -14.740 1.00 25.31 H new ATOM 0 HB3 PHE A 6 7.298 9.100 -14.352 1.00 25.31 H new ATOM 0 HD1 PHE A 6 6.327 9.727 -11.690 1.00 13.23 H new ATOM 0 HD2 PHE A 6 7.435 5.952 -13.324 1.00 14.33 H new ATOM 0 HE1 PHE A 6 6.845 8.905 -9.434 1.00 10.15 H new ATOM 0 HE2 PHE A 6 7.953 5.128 -11.069 1.00 30.50 H new ATOM 0 HZ PHE A 6 7.663 6.603 -9.119 1.00 42.22 H new ATOM 104 N ILE A 7 5.216 10.927 -15.720 1.00 24.11 N ATOM 105 CA ILE A 7 5.061 11.572 -17.018 1.00 0.04 C ATOM 106 C ILE A 7 6.408 12.024 -17.572 1.00 11.24 C ATOM 107 O ILE A 7 7.241 12.563 -16.843 1.00 51.42 O ATOM 108 CB ILE A 7 4.119 12.788 -16.933 1.00 23.32 C ATOM 109 CG1 ILE A 7 2.818 12.404 -16.226 1.00 73.31 C ATOM 110 CG2 ILE A 7 3.832 13.333 -18.324 1.00 1.33 C ATOM 111 CD1 ILE A 7 2.822 12.709 -14.745 1.00 14.44 C ATOM 0 H ILE A 7 5.536 11.547 -14.976 1.00 24.11 H new ATOM 0 HA ILE A 7 4.626 10.831 -17.689 1.00 0.04 H new ATOM 0 HB ILE A 7 4.609 13.569 -16.352 1.00 23.32 H new ATOM 0 HG12 ILE A 7 1.989 12.934 -16.695 1.00 73.31 H new ATOM 0 HG13 ILE A 7 2.637 11.339 -16.369 1.00 73.31 H new ATOM 0 HG21 ILE A 7 3.165 14.192 -18.248 1.00 1.33 H new ATOM 0 HG22 ILE A 7 4.766 13.640 -18.795 1.00 1.33 H new ATOM 0 HG23 ILE A 7 3.359 12.559 -18.928 1.00 1.33 H new ATOM 0 HD11 ILE A 7 1.868 12.411 -14.309 1.00 14.44 H new ATOM 0 HD12 ILE A 7 3.629 12.158 -14.262 1.00 14.44 H new ATOM 0 HD13 ILE A 7 2.971 13.778 -14.594 1.00 14.44 H new ATOM 123 N SER A 8 6.614 11.802 -18.866 1.00 11.11 N ATOM 124 CA SER A 8 7.861 12.185 -19.518 1.00 73.11 C ATOM 125 C SER A 8 7.698 13.502 -20.271 1.00 73.55 C ATOM 126 O SER A 8 6.588 13.933 -20.587 1.00 24.24 O ATOM 127 CB SER A 8 8.315 11.086 -20.481 1.00 5.32 C ATOM 128 OG SER A 8 9.266 10.232 -19.868 1.00 13.32 O ATOM 0 H SER A 8 5.934 11.359 -19.484 1.00 11.11 H new ATOM 0 HA SER A 8 8.620 12.319 -18.747 1.00 73.11 H new ATOM 0 HB2 SER A 8 7.453 10.503 -20.805 1.00 5.32 H new ATOM 0 HB3 SER A 8 8.748 11.537 -21.374 1.00 5.32 H new ATOM 0 HG SER A 8 9.974 10.772 -19.458 1.00 13.32 H new ATOM 134 N PRO A 9 8.830 14.157 -20.568 1.00 30.23 N ATOM 135 CA PRO A 9 8.840 15.434 -21.288 1.00 24.52 C ATOM 136 C PRO A 9 8.432 15.278 -22.749 1.00 4.41 C ATOM 137 O PRO A 9 8.018 16.242 -23.393 1.00 42.13 O ATOM 138 CB PRO A 9 10.299 15.887 -21.185 1.00 71.32 C ATOM 139 CG PRO A 9 11.075 14.628 -21.007 1.00 21.32 C ATOM 140 CD PRO A 9 10.187 13.701 -20.223 1.00 2.42 C ATOM 0 HA PRO A 9 8.128 16.145 -20.869 1.00 24.52 H new ATOM 0 HB2 PRO A 9 10.612 16.421 -22.082 1.00 71.32 H new ATOM 0 HB3 PRO A 9 10.445 16.564 -20.343 1.00 71.32 H new ATOM 0 HG2 PRO A 9 11.339 14.193 -21.971 1.00 21.32 H new ATOM 0 HG3 PRO A 9 12.008 14.817 -20.476 1.00 21.32 H new ATOM 0 HD2 PRO A 9 10.345 12.660 -20.504 1.00 2.42 H new ATOM 0 HD3 PRO A 9 10.375 13.774 -19.152 1.00 2.42 H new ATOM 148 N ASP A 10 8.552 14.060 -23.265 1.00 54.33 N ATOM 149 CA ASP A 10 8.193 13.779 -24.651 1.00 24.34 C ATOM 150 C ASP A 10 6.681 13.660 -24.807 1.00 54.14 C ATOM 151 O ASP A 10 6.157 13.697 -25.920 1.00 31.40 O ATOM 152 CB ASP A 10 8.870 12.491 -25.123 1.00 41.01 C ATOM 153 CG ASP A 10 10.381 12.614 -25.168 1.00 34.40 C ATOM 154 OD1 ASP A 10 10.998 12.745 -24.090 1.00 52.21 O ATOM 155 OD2 ASP A 10 10.946 12.577 -26.281 1.00 15.02 O ATOM 0 H ASP A 10 8.895 13.252 -22.746 1.00 54.33 H new ATOM 0 HA ASP A 10 8.539 14.609 -25.266 1.00 24.34 H new ATOM 0 HB2 ASP A 10 8.595 11.674 -24.456 1.00 41.01 H new ATOM 0 HB3 ASP A 10 8.500 12.232 -26.115 1.00 41.01 H new ATOM 160 N GLY A 11 5.984 13.517 -23.684 1.00 74.32 N ATOM 161 CA GLY A 11 4.538 13.393 -23.719 1.00 0.42 C ATOM 162 C GLY A 11 4.068 11.987 -23.406 1.00 24.41 C ATOM 163 O GLY A 11 2.894 11.663 -23.584 1.00 21.03 O ATOM 0 H GLY A 11 6.394 13.485 -22.751 1.00 74.32 H new ATOM 0 HA2 GLY A 11 4.100 14.087 -23.002 1.00 0.42 H new ATOM 0 HA3 GLY A 11 4.176 13.683 -24.705 1.00 0.42 H new ATOM 167 N SER A 12 4.988 11.147 -22.940 1.00 12.40 N ATOM 168 CA SER A 12 4.663 9.765 -22.607 1.00 14.41 C ATOM 169 C SER A 12 4.350 9.624 -21.120 1.00 51.13 C ATOM 170 O SER A 12 4.530 10.563 -20.345 1.00 2.21 O ATOM 171 CB SER A 12 5.821 8.841 -22.986 1.00 42.00 C ATOM 172 OG SER A 12 5.894 8.664 -24.390 1.00 41.21 O ATOM 0 H SER A 12 5.964 11.400 -22.785 1.00 12.40 H new ATOM 0 HA SER A 12 3.778 9.478 -23.176 1.00 14.41 H new ATOM 0 HB2 SER A 12 6.759 9.259 -22.620 1.00 42.00 H new ATOM 0 HB3 SER A 12 5.692 7.874 -22.501 1.00 42.00 H new ATOM 0 HG SER A 12 6.643 8.071 -24.606 1.00 41.21 H new ATOM 178 N ARG A 13 3.880 8.444 -20.731 1.00 21.44 N ATOM 179 CA ARG A 13 3.541 8.178 -19.338 1.00 14.43 C ATOM 180 C ARG A 13 3.828 6.724 -18.975 1.00 44.44 C ATOM 181 O ARG A 13 3.721 5.831 -19.815 1.00 63.35 O ATOM 182 CB ARG A 13 2.067 8.497 -19.080 1.00 52.32 C ATOM 183 CG ARG A 13 1.609 9.805 -19.704 1.00 54.23 C ATOM 184 CD ARG A 13 0.115 10.020 -19.513 1.00 43.55 C ATOM 185 NE ARG A 13 -0.267 11.415 -19.720 1.00 35.32 N ATOM 186 CZ ARG A 13 -1.490 11.882 -19.493 1.00 2.53 C ATOM 187 NH1 ARG A 13 -2.443 11.072 -19.054 1.00 24.41 N ATOM 188 NH2 ARG A 13 -1.761 13.164 -19.704 1.00 40.12 N ATOM 0 H ARG A 13 3.725 7.657 -21.361 1.00 21.44 H new ATOM 0 HA ARG A 13 4.161 8.820 -18.711 1.00 14.43 H new ATOM 0 HB2 ARG A 13 1.454 7.684 -19.470 1.00 52.32 H new ATOM 0 HB3 ARG A 13 1.896 8.538 -18.004 1.00 52.32 H new ATOM 0 HG2 ARG A 13 2.157 10.634 -19.257 1.00 54.23 H new ATOM 0 HG3 ARG A 13 1.845 9.804 -20.768 1.00 54.23 H new ATOM 0 HD2 ARG A 13 -0.435 9.386 -20.209 1.00 43.55 H new ATOM 0 HD3 ARG A 13 -0.170 9.711 -18.507 1.00 43.55 H new ATOM 0 HE ARG A 13 0.443 12.065 -20.057 1.00 35.32 H new ATOM 0 HH11 ARG A 13 -2.239 10.086 -18.889 1.00 24.41 H new ATOM 0 HH12 ARG A 13 -3.381 11.434 -18.881 1.00 24.41 H new ATOM 0 HH21 ARG A 13 -1.030 13.791 -20.041 1.00 40.12 H new ATOM 0 HH22 ARG A 13 -2.700 13.522 -19.530 1.00 40.12 H new ATOM 202 N LYS A 14 4.195 6.495 -17.719 1.00 71.41 N ATOM 203 CA LYS A 14 4.498 5.150 -17.244 1.00 32.23 C ATOM 204 C LYS A 14 3.699 4.825 -15.985 1.00 62.14 C ATOM 205 O LYS A 14 3.248 5.723 -15.274 1.00 54.22 O ATOM 206 CB LYS A 14 5.995 5.012 -16.960 1.00 3.21 C ATOM 207 CG LYS A 14 6.876 5.663 -18.012 1.00 61.25 C ATOM 208 CD LYS A 14 7.203 7.103 -17.654 1.00 33.22 C ATOM 209 CE LYS A 14 7.806 7.848 -18.834 1.00 44.13 C ATOM 210 NZ LYS A 14 6.959 7.735 -20.054 1.00 21.13 N ATOM 0 H LYS A 14 4.290 7.223 -17.011 1.00 71.41 H new ATOM 0 HA LYS A 14 4.216 4.444 -18.025 1.00 32.23 H new ATOM 0 HB2 LYS A 14 6.215 5.456 -15.989 1.00 3.21 H new ATOM 0 HB3 LYS A 14 6.247 3.954 -16.891 1.00 3.21 H new ATOM 0 HG2 LYS A 14 7.800 5.094 -18.116 1.00 61.25 H new ATOM 0 HG3 LYS A 14 6.373 5.633 -18.978 1.00 61.25 H new ATOM 0 HD2 LYS A 14 6.297 7.612 -17.326 1.00 33.22 H new ATOM 0 HD3 LYS A 14 7.900 7.121 -16.816 1.00 33.22 H new ATOM 0 HE2 LYS A 14 7.930 8.899 -18.574 1.00 44.13 H new ATOM 0 HE3 LYS A 14 8.800 7.452 -19.044 1.00 44.13 H new ATOM 0 HZ1 LYS A 14 7.300 8.401 -20.776 1.00 21.13 H new ATOM 0 HZ2 LYS A 14 7.012 6.765 -20.425 1.00 21.13 H new ATOM 0 HZ3 LYS A 14 5.973 7.960 -19.814 1.00 21.13 H new ATOM 224 N THR A 15 3.529 3.534 -15.714 1.00 43.44 N ATOM 225 CA THR A 15 2.786 3.091 -14.542 1.00 12.11 C ATOM 226 C THR A 15 3.474 1.909 -13.869 1.00 3.22 C ATOM 227 O THR A 15 3.553 0.819 -14.436 1.00 12.04 O ATOM 228 CB THR A 15 1.345 2.690 -14.909 1.00 54.01 C ATOM 229 OG1 THR A 15 0.645 3.816 -15.450 1.00 45.43 O ATOM 230 CG2 THR A 15 0.602 2.164 -13.690 1.00 62.31 C ATOM 0 H THR A 15 3.896 2.777 -16.291 1.00 43.44 H new ATOM 0 HA THR A 15 2.756 3.933 -13.850 1.00 12.11 H new ATOM 0 HB THR A 15 1.392 1.898 -15.657 1.00 54.01 H new ATOM 0 HG1 THR A 15 -0.270 3.552 -15.682 1.00 45.43 H new ATOM 0 HG21 THR A 15 -0.413 1.887 -13.974 1.00 62.31 H new ATOM 0 HG22 THR A 15 1.120 1.289 -13.298 1.00 62.31 H new ATOM 0 HG23 THR A 15 0.566 2.938 -12.924 1.00 62.31 H new ATOM 238 N TYR A 16 3.971 2.132 -12.657 1.00 70.22 N ATOM 239 CA TYR A 16 4.655 1.085 -11.907 1.00 73.23 C ATOM 240 C TYR A 16 4.392 1.226 -10.411 1.00 43.31 C ATOM 241 O TYR A 16 4.512 2.315 -9.850 1.00 32.23 O ATOM 242 CB TYR A 16 6.159 1.133 -12.179 1.00 42.13 C ATOM 243 CG TYR A 16 6.562 0.466 -13.475 1.00 30.52 C ATOM 244 CD1 TYR A 16 6.474 1.143 -14.685 1.00 12.12 C ATOM 245 CD2 TYR A 16 7.030 -0.843 -13.489 1.00 54.43 C ATOM 246 CE1 TYR A 16 6.840 0.537 -15.871 1.00 40.21 C ATOM 247 CE2 TYR A 16 7.399 -1.456 -14.671 1.00 5.05 C ATOM 248 CZ TYR A 16 7.303 -0.762 -15.859 1.00 33.23 C ATOM 249 OH TYR A 16 7.669 -1.370 -17.038 1.00 33.13 O ATOM 0 H TYR A 16 3.913 3.028 -12.173 1.00 70.22 H new ATOM 0 HA TYR A 16 4.264 0.123 -12.237 1.00 73.23 H new ATOM 0 HB2 TYR A 16 6.483 2.174 -12.200 1.00 42.13 H new ATOM 0 HB3 TYR A 16 6.684 0.652 -11.354 1.00 42.13 H new ATOM 0 HD1 TYR A 16 6.113 2.161 -14.698 1.00 12.12 H new ATOM 0 HD2 TYR A 16 7.106 -1.390 -12.561 1.00 54.43 H new ATOM 0 HE1 TYR A 16 6.764 1.078 -16.803 1.00 40.21 H new ATOM 0 HE2 TYR A 16 7.761 -2.474 -14.665 1.00 5.05 H new ATOM 0 HH TYR A 16 8.188 -2.178 -16.842 1.00 33.13 H new ATOM 259 N GLU A 17 4.035 0.117 -9.772 1.00 74.20 N ATOM 260 CA GLU A 17 3.755 0.117 -8.341 1.00 31.21 C ATOM 261 C GLU A 17 4.998 0.503 -7.544 1.00 15.12 C ATOM 262 O GLU A 17 6.004 -0.205 -7.561 1.00 33.12 O ATOM 263 CB GLU A 17 3.258 -1.260 -7.896 1.00 32.21 C ATOM 264 CG GLU A 17 1.806 -1.528 -8.255 1.00 31.34 C ATOM 265 CD GLU A 17 1.498 -3.008 -8.375 1.00 64.23 C ATOM 266 OE1 GLU A 17 2.251 -3.714 -9.079 1.00 71.30 O ATOM 267 OE2 GLU A 17 0.506 -3.460 -7.767 1.00 61.20 O ATOM 0 H GLU A 17 3.933 -0.793 -10.222 1.00 74.20 H new ATOM 0 HA GLU A 17 2.977 0.856 -8.149 1.00 31.21 H new ATOM 0 HB2 GLU A 17 3.884 -2.027 -8.351 1.00 32.21 H new ATOM 0 HB3 GLU A 17 3.379 -1.349 -6.816 1.00 32.21 H new ATOM 0 HG2 GLU A 17 1.161 -1.087 -7.495 1.00 31.34 H new ATOM 0 HG3 GLU A 17 1.572 -1.034 -9.198 1.00 31.34 H new ATOM 274 N ALA A 18 4.919 1.632 -6.847 1.00 32.13 N ATOM 275 CA ALA A 18 6.035 2.112 -6.042 1.00 43.42 C ATOM 276 C ALA A 18 5.696 2.077 -4.556 1.00 24.41 C ATOM 277 O ALA A 18 4.532 1.943 -4.178 1.00 2.53 O ATOM 278 CB ALA A 18 6.421 3.522 -6.464 1.00 3.53 C ATOM 0 H ALA A 18 4.094 2.231 -6.824 1.00 32.13 H new ATOM 0 HA ALA A 18 6.883 1.449 -6.209 1.00 43.42 H new ATOM 0 HB1 ALA A 18 7.256 3.868 -5.855 1.00 3.53 H new ATOM 0 HB2 ALA A 18 6.714 3.520 -7.514 1.00 3.53 H new ATOM 0 HB3 ALA A 18 5.570 4.189 -6.326 1.00 3.53 H new ATOM 284 N TYR A 19 6.720 2.195 -3.718 1.00 11.44 N ATOM 285 CA TYR A 19 6.530 2.173 -2.272 1.00 44.41 C ATOM 286 C TYR A 19 6.224 3.571 -1.741 1.00 61.44 C ATOM 287 O TYR A 19 5.985 4.501 -2.512 1.00 35.33 O ATOM 288 CB TYR A 19 7.776 1.615 -1.582 1.00 1.42 C ATOM 289 CG TYR A 19 7.473 0.545 -0.558 1.00 13.13 C ATOM 290 CD1 TYR A 19 6.977 -0.694 -0.945 1.00 44.01 C ATOM 291 CD2 TYR A 19 7.680 0.773 0.797 1.00 44.10 C ATOM 292 CE1 TYR A 19 6.698 -1.675 -0.013 1.00 40.31 C ATOM 293 CE2 TYR A 19 7.405 -0.202 1.736 1.00 63.22 C ATOM 294 CZ TYR A 19 6.914 -1.424 1.326 1.00 61.20 C ATOM 295 OH TYR A 19 6.637 -2.398 2.258 1.00 4.22 O ATOM 0 H TYR A 19 7.689 2.307 -4.015 1.00 11.44 H new ATOM 0 HA TYR A 19 5.680 1.527 -2.052 1.00 44.41 H new ATOM 0 HB2 TYR A 19 8.446 1.204 -2.337 1.00 1.42 H new ATOM 0 HB3 TYR A 19 8.308 2.432 -1.095 1.00 1.42 H new ATOM 0 HD1 TYR A 19 6.807 -0.894 -1.993 1.00 44.01 H new ATOM 0 HD2 TYR A 19 8.063 1.729 1.122 1.00 44.10 H new ATOM 0 HE1 TYR A 19 6.313 -2.633 -0.331 1.00 40.31 H new ATOM 0 HE2 TYR A 19 7.573 -0.009 2.785 1.00 63.22 H new ATOM 0 HH TYR A 19 6.845 -2.062 3.155 1.00 4.22 H new ATOM 305 N ASP A 20 6.234 3.710 -0.420 1.00 64.24 N ATOM 306 CA ASP A 20 5.960 4.993 0.215 1.00 13.14 C ATOM 307 C ASP A 20 7.228 5.579 0.828 1.00 63.15 C ATOM 308 O ASP A 20 7.606 5.235 1.947 1.00 70.45 O ATOM 309 CB ASP A 20 4.886 4.833 1.293 1.00 54.25 C ATOM 310 CG ASP A 20 5.179 3.684 2.236 1.00 31.34 C ATOM 311 OD1 ASP A 20 5.002 2.518 1.824 1.00 11.43 O ATOM 312 OD2 ASP A 20 5.584 3.949 3.387 1.00 5.35 O ATOM 0 H ASP A 20 6.429 2.950 0.232 1.00 64.24 H new ATOM 0 HA ASP A 20 5.598 5.679 -0.551 1.00 13.14 H new ATOM 0 HB2 ASP A 20 4.809 5.758 1.865 1.00 54.25 H new ATOM 0 HB3 ASP A 20 3.919 4.671 0.817 1.00 54.25 H new ATOM 317 N GLY A 21 7.883 6.466 0.084 1.00 10.23 N ATOM 318 CA GLY A 21 9.103 7.085 0.570 1.00 73.41 C ATOM 319 C GLY A 21 10.349 6.416 0.025 1.00 72.45 C ATOM 320 O GLY A 21 11.459 6.698 0.473 1.00 1.41 O ATOM 0 H GLY A 21 7.591 6.767 -0.846 1.00 10.23 H new ATOM 0 HA2 GLY A 21 9.108 8.139 0.291 1.00 73.41 H new ATOM 0 HA3 GLY A 21 9.119 7.044 1.659 1.00 73.41 H new ATOM 324 N GLU A 22 10.164 5.525 -0.945 1.00 24.21 N ATOM 325 CA GLU A 22 11.284 4.812 -1.550 1.00 14.15 C ATOM 326 C GLU A 22 11.591 5.361 -2.940 1.00 2.44 C ATOM 327 O GLU A 22 10.688 5.579 -3.748 1.00 42.22 O ATOM 328 CB GLU A 22 10.977 3.316 -1.637 1.00 32.41 C ATOM 329 CG GLU A 22 12.185 2.466 -1.993 1.00 43.31 C ATOM 330 CD GLU A 22 12.939 1.982 -0.770 1.00 31.13 C ATOM 331 OE1 GLU A 22 12.282 1.542 0.197 1.00 41.02 O ATOM 332 OE2 GLU A 22 14.186 2.043 -0.780 1.00 24.44 O ATOM 0 H GLU A 22 9.251 5.280 -1.328 1.00 24.21 H new ATOM 0 HA GLU A 22 12.160 4.960 -0.918 1.00 14.15 H new ATOM 0 HB2 GLU A 22 10.576 2.980 -0.681 1.00 32.41 H new ATOM 0 HB3 GLU A 22 10.198 3.156 -2.383 1.00 32.41 H new ATOM 0 HG2 GLU A 22 11.860 1.606 -2.578 1.00 43.31 H new ATOM 0 HG3 GLU A 22 12.859 3.045 -2.625 1.00 43.31 H new ATOM 339 N THR A 23 12.874 5.584 -3.211 1.00 55.21 N ATOM 340 CA THR A 23 13.301 6.109 -4.501 1.00 45.54 C ATOM 341 C THR A 23 13.004 5.121 -5.623 1.00 50.34 C ATOM 342 O THR A 23 12.798 3.932 -5.379 1.00 33.14 O ATOM 343 CB THR A 23 14.807 6.434 -4.504 1.00 42.14 C ATOM 344 OG1 THR A 23 15.217 6.847 -5.813 1.00 32.30 O ATOM 345 CG2 THR A 23 15.622 5.225 -4.070 1.00 42.21 C ATOM 0 H THR A 23 13.634 5.409 -2.554 1.00 55.21 H new ATOM 0 HA THR A 23 12.738 7.027 -4.671 1.00 45.54 H new ATOM 0 HB THR A 23 14.983 7.244 -3.796 1.00 42.14 H new ATOM 0 HG1 THR A 23 16.175 7.053 -5.806 1.00 32.30 H new ATOM 0 HG21 THR A 23 16.682 5.478 -4.080 1.00 42.21 H new ATOM 0 HG22 THR A 23 15.328 4.931 -3.062 1.00 42.21 H new ATOM 0 HG23 THR A 23 15.440 4.398 -4.757 1.00 42.21 H new ATOM 353 N LEU A 24 12.984 5.620 -6.855 1.00 32.15 N ATOM 354 CA LEU A 24 12.712 4.780 -8.016 1.00 21.12 C ATOM 355 C LEU A 24 13.764 3.684 -8.153 1.00 43.14 C ATOM 356 O LEU A 24 13.545 2.680 -8.832 1.00 63.13 O ATOM 357 CB LEU A 24 12.675 5.630 -9.287 1.00 62.32 C ATOM 358 CG LEU A 24 11.299 5.827 -9.923 1.00 14.01 C ATOM 359 CD1 LEU A 24 10.457 6.779 -9.088 1.00 53.51 C ATOM 360 CD2 LEU A 24 11.438 6.344 -11.347 1.00 40.22 C ATOM 0 H LEU A 24 13.153 6.602 -7.075 1.00 32.15 H new ATOM 0 HA LEU A 24 11.740 4.309 -7.874 1.00 21.12 H new ATOM 0 HB2 LEU A 24 13.090 6.611 -9.056 1.00 62.32 H new ATOM 0 HB3 LEU A 24 13.332 5.172 -10.026 1.00 62.32 H new ATOM 0 HG LEU A 24 10.794 4.862 -9.957 1.00 14.01 H new ATOM 0 HD11 LEU A 24 9.481 6.907 -9.556 1.00 53.51 H new ATOM 0 HD12 LEU A 24 10.328 6.368 -8.087 1.00 53.51 H new ATOM 0 HD13 LEU A 24 10.958 7.745 -9.022 1.00 53.51 H new ATOM 0 HD21 LEU A 24 10.448 6.478 -11.784 1.00 40.22 H new ATOM 0 HD22 LEU A 24 11.963 7.299 -11.338 1.00 40.22 H new ATOM 0 HD23 LEU A 24 12.002 5.626 -11.941 1.00 40.22 H new ATOM 372 N LEU A 25 14.906 3.882 -7.503 1.00 53.45 N ATOM 373 CA LEU A 25 15.992 2.910 -7.551 1.00 21.11 C ATOM 374 C LEU A 25 15.490 1.515 -7.191 1.00 45.11 C ATOM 375 O LEU A 25 15.993 0.513 -7.700 1.00 2.32 O ATOM 376 CB LEU A 25 17.114 3.323 -6.597 1.00 24.41 C ATOM 377 CG LEU A 25 18.488 2.710 -6.872 1.00 2.11 C ATOM 378 CD1 LEU A 25 19.590 3.601 -6.319 1.00 20.42 C ATOM 379 CD2 LEU A 25 18.579 1.313 -6.275 1.00 14.31 C ATOM 0 H LEU A 25 15.103 4.707 -6.937 1.00 53.45 H new ATOM 0 HA LEU A 25 16.380 2.885 -8.569 1.00 21.11 H new ATOM 0 HB2 LEU A 25 17.210 4.408 -6.629 1.00 24.41 H new ATOM 0 HB3 LEU A 25 16.817 3.059 -5.582 1.00 24.41 H new ATOM 0 HG LEU A 25 18.620 2.631 -7.951 1.00 2.11 H new ATOM 0 HD11 LEU A 25 20.560 3.149 -6.524 1.00 20.42 H new ATOM 0 HD12 LEU A 25 19.538 4.581 -6.794 1.00 20.42 H new ATOM 0 HD13 LEU A 25 19.462 3.713 -5.242 1.00 20.42 H new ATOM 0 HD21 LEU A 25 19.563 0.893 -6.481 1.00 14.31 H new ATOM 0 HD22 LEU A 25 18.426 1.367 -5.197 1.00 14.31 H new ATOM 0 HD23 LEU A 25 17.813 0.677 -6.719 1.00 14.31 H new ATOM 391 N SER A 26 14.495 1.458 -6.312 1.00 52.43 N ATOM 392 CA SER A 26 13.926 0.186 -5.883 1.00 53.30 C ATOM 393 C SER A 26 13.079 -0.431 -6.991 1.00 73.54 C ATOM 394 O SER A 26 13.028 -1.653 -7.143 1.00 13.14 O ATOM 395 CB SER A 26 13.077 0.382 -4.626 1.00 34.25 C ATOM 396 OG SER A 26 12.086 1.375 -4.828 1.00 63.01 O ATOM 0 H SER A 26 14.066 2.278 -5.883 1.00 52.43 H new ATOM 0 HA SER A 26 14.747 -0.494 -5.656 1.00 53.30 H new ATOM 0 HB2 SER A 26 12.601 -0.560 -4.354 1.00 34.25 H new ATOM 0 HB3 SER A 26 13.718 0.668 -3.792 1.00 34.25 H new ATOM 0 HG SER A 26 12.511 2.257 -4.871 1.00 63.01 H new ATOM 402 N LEU A 27 12.415 0.421 -7.765 1.00 31.24 N ATOM 403 CA LEU A 27 11.569 -0.040 -8.860 1.00 40.44 C ATOM 404 C LEU A 27 12.400 -0.733 -9.935 1.00 72.13 C ATOM 405 O LEU A 27 11.963 -1.715 -10.534 1.00 32.51 O ATOM 406 CB LEU A 27 10.805 1.137 -9.470 1.00 42.22 C ATOM 407 CG LEU A 27 9.290 0.967 -9.585 1.00 30.40 C ATOM 408 CD1 LEU A 27 8.681 0.671 -8.223 1.00 3.20 C ATOM 409 CD2 LEU A 27 8.658 2.209 -10.195 1.00 42.24 C ATOM 0 H LEU A 27 12.446 1.434 -7.654 1.00 31.24 H new ATOM 0 HA LEU A 27 10.856 -0.759 -8.458 1.00 40.44 H new ATOM 0 HB2 LEU A 27 11.006 2.025 -8.870 1.00 42.22 H new ATOM 0 HB3 LEU A 27 11.206 1.327 -10.466 1.00 42.22 H new ATOM 0 HG LEU A 27 9.088 0.121 -10.242 1.00 30.40 H new ATOM 0 HD11 LEU A 27 7.602 0.553 -8.325 1.00 3.20 H new ATOM 0 HD12 LEU A 27 9.110 -0.248 -7.824 1.00 3.20 H new ATOM 0 HD13 LEU A 27 8.893 1.496 -7.543 1.00 3.20 H new ATOM 0 HD21 LEU A 27 7.579 2.069 -10.269 1.00 42.24 H new ATOM 0 HD22 LEU A 27 8.870 3.072 -9.564 1.00 42.24 H new ATOM 0 HD23 LEU A 27 9.071 2.376 -11.190 1.00 42.24 H new ATOM 421 N ALA A 28 13.601 -0.216 -10.173 1.00 72.01 N ATOM 422 CA ALA A 28 14.495 -0.788 -11.172 1.00 75.04 C ATOM 423 C ALA A 28 14.821 -2.242 -10.849 1.00 1.02 C ATOM 424 O ALA A 28 14.925 -3.080 -11.745 1.00 53.12 O ATOM 425 CB ALA A 28 15.772 0.033 -11.270 1.00 31.24 C ATOM 0 H ALA A 28 13.977 0.598 -9.687 1.00 72.01 H new ATOM 0 HA ALA A 28 13.986 -0.763 -12.136 1.00 75.04 H new ATOM 0 HB1 ALA A 28 16.430 -0.406 -12.020 1.00 31.24 H new ATOM 0 HB2 ALA A 28 15.526 1.055 -11.557 1.00 31.24 H new ATOM 0 HB3 ALA A 28 16.276 0.039 -10.304 1.00 31.24 H new ATOM 431 N HIS A 29 14.983 -2.535 -9.562 1.00 62.24 N ATOM 432 CA HIS A 29 15.299 -3.889 -9.121 1.00 35.03 C ATOM 433 C HIS A 29 14.107 -4.819 -9.328 1.00 21.34 C ATOM 434 O HIS A 29 14.271 -6.031 -9.475 1.00 3.52 O ATOM 435 CB HIS A 29 15.708 -3.885 -7.647 1.00 74.24 C ATOM 436 CG HIS A 29 16.998 -3.172 -7.386 1.00 43.31 C ATOM 437 ND1 HIS A 29 18.018 -3.096 -8.312 1.00 35.53 N ATOM 438 CD2 HIS A 29 17.432 -2.497 -6.296 1.00 30.35 C ATOM 439 CE1 HIS A 29 19.023 -2.408 -7.801 1.00 60.33 C ATOM 440 NE2 HIS A 29 18.693 -2.033 -6.579 1.00 12.13 N ATOM 0 H HIS A 29 14.901 -1.854 -8.807 1.00 62.24 H new ATOM 0 HA HIS A 29 16.132 -4.256 -9.721 1.00 35.03 H new ATOM 0 HB2 HIS A 29 14.918 -3.416 -7.060 1.00 74.24 H new ATOM 0 HB3 HIS A 29 15.795 -4.915 -7.300 1.00 74.24 H new ATOM 0 HD2 HIS A 29 16.888 -2.351 -5.375 1.00 30.35 H new ATOM 0 HE1 HIS A 29 19.956 -2.189 -8.298 1.00 60.33 H new ATOM 0 HE2 HIS A 29 19.279 -1.487 -5.948 1.00 12.13 H new ATOM 448 N ARG A 30 12.909 -4.245 -9.337 1.00 34.03 N ATOM 449 CA ARG A 30 11.690 -5.023 -9.523 1.00 70.15 C ATOM 450 C ARG A 30 11.439 -5.293 -11.004 1.00 70.41 C ATOM 451 O ARG A 30 10.898 -6.335 -11.372 1.00 31.11 O ATOM 452 CB ARG A 30 10.493 -4.288 -8.918 1.00 75.30 C ATOM 453 CG ARG A 30 10.502 -4.256 -7.398 1.00 63.55 C ATOM 454 CD ARG A 30 10.398 -5.655 -6.811 1.00 62.32 C ATOM 455 NE ARG A 30 11.711 -6.252 -6.582 1.00 4.44 N ATOM 456 CZ ARG A 30 11.888 -7.469 -6.081 1.00 63.44 C ATOM 457 NH1 ARG A 30 10.841 -8.216 -5.761 1.00 31.53 N ATOM 458 NH2 ARG A 30 13.115 -7.942 -5.902 1.00 31.54 N ATOM 0 H ARG A 30 12.756 -3.244 -9.218 1.00 34.03 H new ATOM 0 HA ARG A 30 11.817 -5.978 -9.013 1.00 70.15 H new ATOM 0 HB2 ARG A 30 10.478 -3.265 -9.294 1.00 75.30 H new ATOM 0 HB3 ARG A 30 9.574 -4.766 -9.257 1.00 75.30 H new ATOM 0 HG2 ARG A 30 11.418 -3.781 -7.048 1.00 63.55 H new ATOM 0 HG3 ARG A 30 9.671 -3.648 -7.041 1.00 63.55 H new ATOM 0 HD2 ARG A 30 9.850 -5.613 -5.870 1.00 62.32 H new ATOM 0 HD3 ARG A 30 9.824 -6.290 -7.486 1.00 62.32 H new ATOM 0 HE ARG A 30 12.538 -5.704 -6.820 1.00 4.44 H new ATOM 0 HH11 ARG A 30 9.897 -7.856 -5.899 1.00 31.53 H new ATOM 0 HH12 ARG A 30 10.980 -9.150 -5.376 1.00 31.53 H new ATOM 0 HH21 ARG A 30 13.923 -7.371 -6.149 1.00 31.54 H new ATOM 0 HH22 ARG A 30 13.250 -8.877 -5.517 1.00 31.54 H new ATOM 472 N ASN A 31 11.836 -4.347 -11.849 1.00 12.14 N ATOM 473 CA ASN A 31 11.653 -4.482 -13.289 1.00 72.32 C ATOM 474 C ASN A 31 12.882 -5.112 -13.937 1.00 4.21 C ATOM 475 O ASN A 31 13.036 -5.085 -15.157 1.00 72.32 O ATOM 476 CB ASN A 31 11.373 -3.116 -13.919 1.00 65.45 C ATOM 477 CG ASN A 31 10.531 -2.228 -13.025 1.00 32.24 C ATOM 478 OD1 ASN A 31 9.646 -2.705 -12.314 1.00 31.12 O ATOM 479 ND2 ASN A 31 10.803 -0.929 -13.056 1.00 53.20 N ATOM 0 H ASN A 31 12.287 -3.478 -11.561 1.00 12.14 H new ATOM 0 HA ASN A 31 10.798 -5.136 -13.462 1.00 72.32 H new ATOM 0 HB2 ASN A 31 12.318 -2.618 -14.134 1.00 65.45 H new ATOM 0 HB3 ASN A 31 10.862 -3.256 -14.872 1.00 65.45 H new ATOM 0 HD21 ASN A 31 10.269 -0.282 -12.475 1.00 53.20 H new ATOM 0 HD22 ASN A 31 11.546 -0.578 -13.661 1.00 53.20 H new ATOM 486 N ASN A 32 13.756 -5.678 -13.110 1.00 75.11 N ATOM 487 CA ASN A 32 14.972 -6.315 -13.602 1.00 10.30 C ATOM 488 C ASN A 32 15.600 -5.494 -14.724 1.00 73.05 C ATOM 489 O ASN A 32 16.069 -6.043 -15.722 1.00 11.33 O ATOM 490 CB ASN A 32 14.667 -7.729 -14.098 1.00 61.55 C ATOM 491 CG ASN A 32 13.620 -7.744 -15.195 1.00 71.13 C ATOM 492 OD1 ASN A 32 13.867 -7.286 -16.311 1.00 62.30 O ATOM 493 ND2 ASN A 32 12.442 -8.272 -14.882 1.00 2.43 N ATOM 0 H ASN A 32 13.644 -5.708 -12.097 1.00 75.11 H new ATOM 0 HA ASN A 32 15.682 -6.372 -12.777 1.00 10.30 H new ATOM 0 HB2 ASN A 32 15.584 -8.187 -14.469 1.00 61.55 H new ATOM 0 HB3 ASN A 32 14.322 -8.338 -13.262 1.00 61.55 H new ATOM 0 HD21 ASN A 32 11.698 -8.309 -15.579 1.00 2.43 H new ATOM 0 HD22 ASN A 32 12.281 -8.640 -13.944 1.00 2.43 H new ATOM 500 N VAL A 33 15.605 -4.176 -14.555 1.00 3.35 N ATOM 501 CA VAL A 33 16.177 -3.279 -15.552 1.00 12.42 C ATOM 502 C VAL A 33 17.611 -2.903 -15.195 1.00 54.34 C ATOM 503 O VAL A 33 17.972 -2.835 -14.020 1.00 73.14 O ATOM 504 CB VAL A 33 15.341 -1.993 -15.695 1.00 11.12 C ATOM 505 CG1 VAL A 33 15.384 -1.182 -14.409 1.00 3.23 C ATOM 506 CG2 VAL A 33 15.833 -1.166 -16.873 1.00 62.21 C ATOM 0 H VAL A 33 15.219 -3.705 -13.737 1.00 3.35 H new ATOM 0 HA VAL A 33 16.171 -3.815 -16.501 1.00 12.42 H new ATOM 0 HB VAL A 33 14.305 -2.273 -15.885 1.00 11.12 H new ATOM 0 HG11 VAL A 33 14.788 -0.277 -14.529 1.00 3.23 H new ATOM 0 HG12 VAL A 33 14.980 -1.777 -13.590 1.00 3.23 H new ATOM 0 HG13 VAL A 33 16.415 -0.910 -14.185 1.00 3.23 H new ATOM 0 HG21 VAL A 33 15.231 -0.261 -16.959 1.00 62.21 H new ATOM 0 HG22 VAL A 33 16.877 -0.894 -16.716 1.00 62.21 H new ATOM 0 HG23 VAL A 33 15.744 -1.749 -17.789 1.00 62.21 H new ATOM 516 N ASP A 34 18.424 -2.658 -16.217 1.00 75.42 N ATOM 517 CA ASP A 34 19.819 -2.287 -16.012 1.00 72.24 C ATOM 518 C ASP A 34 19.954 -0.784 -15.791 1.00 44.12 C ATOM 519 O ASP A 34 19.846 0.005 -16.731 1.00 33.00 O ATOM 520 CB ASP A 34 20.665 -2.717 -17.212 1.00 74.10 C ATOM 521 CG ASP A 34 22.125 -2.343 -17.055 1.00 2.34 C ATOM 522 OD1 ASP A 34 22.807 -2.955 -16.206 1.00 12.25 O ATOM 523 OD2 ASP A 34 22.587 -1.438 -17.781 1.00 20.20 O ATOM 0 H ASP A 34 18.141 -2.710 -17.196 1.00 75.42 H new ATOM 0 HA ASP A 34 20.179 -2.801 -15.121 1.00 72.24 H new ATOM 0 HB2 ASP A 34 20.582 -3.796 -17.344 1.00 74.10 H new ATOM 0 HB3 ASP A 34 20.270 -2.254 -18.116 1.00 74.10 H new ATOM 528 N LEU A 35 20.191 -0.394 -14.544 1.00 1.33 N ATOM 529 CA LEU A 35 20.341 1.016 -14.198 1.00 75.32 C ATOM 530 C LEU A 35 21.486 1.216 -13.211 1.00 33.13 C ATOM 531 O LEU A 35 21.595 0.496 -12.219 1.00 12.13 O ATOM 532 CB LEU A 35 19.039 1.556 -13.603 1.00 51.15 C ATOM 533 CG LEU A 35 18.049 2.165 -14.597 1.00 72.21 C ATOM 534 CD1 LEU A 35 16.694 2.375 -13.940 1.00 34.53 C ATOM 535 CD2 LEU A 35 18.585 3.478 -15.148 1.00 63.00 C ATOM 0 H LEU A 35 20.284 -1.034 -13.755 1.00 1.33 H new ATOM 0 HA LEU A 35 20.573 1.566 -15.110 1.00 75.32 H new ATOM 0 HB2 LEU A 35 18.540 0.744 -13.075 1.00 51.15 H new ATOM 0 HB3 LEU A 35 19.289 2.313 -12.860 1.00 51.15 H new ATOM 0 HG LEU A 35 17.924 1.470 -15.427 1.00 72.21 H new ATOM 0 HD11 LEU A 35 16.003 2.809 -14.662 1.00 34.53 H new ATOM 0 HD12 LEU A 35 16.304 1.417 -13.595 1.00 34.53 H new ATOM 0 HD13 LEU A 35 16.802 3.050 -13.091 1.00 34.53 H new ATOM 0 HD21 LEU A 35 17.867 3.897 -15.853 1.00 63.00 H new ATOM 0 HD22 LEU A 35 18.740 4.180 -14.329 1.00 63.00 H new ATOM 0 HD23 LEU A 35 19.532 3.299 -15.657 1.00 63.00 H new ATOM 547 N GLU A 36 22.335 2.200 -13.489 1.00 64.42 N ATOM 548 CA GLU A 36 23.471 2.495 -12.624 1.00 24.31 C ATOM 549 C GLU A 36 23.002 2.989 -11.259 1.00 34.02 C ATOM 550 O GLU A 36 22.097 3.817 -11.164 1.00 12.10 O ATOM 551 CB GLU A 36 24.377 3.543 -13.274 1.00 23.31 C ATOM 552 CG GLU A 36 25.073 3.050 -14.531 1.00 63.14 C ATOM 553 CD GLU A 36 26.224 3.945 -14.950 1.00 73.43 C ATOM 554 OE1 GLU A 36 26.287 5.094 -14.466 1.00 1.11 O ATOM 555 OE2 GLU A 36 27.060 3.496 -15.762 1.00 12.11 O ATOM 0 H GLU A 36 22.258 2.806 -14.306 1.00 64.42 H new ATOM 0 HA GLU A 36 24.036 1.574 -12.483 1.00 24.31 H new ATOM 0 HB2 GLU A 36 23.782 4.423 -13.519 1.00 23.31 H new ATOM 0 HB3 GLU A 36 25.130 3.858 -12.552 1.00 23.31 H new ATOM 0 HG2 GLU A 36 25.446 2.040 -14.363 1.00 63.14 H new ATOM 0 HG3 GLU A 36 24.349 2.991 -15.344 1.00 63.14 H new ATOM 562 N GLY A 37 23.624 2.473 -10.203 1.00 12.42 N ATOM 563 CA GLY A 37 23.256 2.873 -8.857 1.00 30.30 C ATOM 564 C GLY A 37 23.002 1.686 -7.949 1.00 60.20 C ATOM 565 O GLY A 37 22.535 0.640 -8.399 1.00 50.13 O ATOM 0 H GLY A 37 24.376 1.786 -10.256 1.00 12.42 H new ATOM 0 HA2 GLY A 37 24.051 3.487 -8.434 1.00 30.30 H new ATOM 0 HA3 GLY A 37 22.361 3.494 -8.898 1.00 30.30 H new ATOM 569 N ALA A 38 23.312 1.847 -6.667 1.00 32.23 N ATOM 570 CA ALA A 38 23.114 0.780 -5.693 1.00 70.03 C ATOM 571 C ALA A 38 22.496 1.318 -4.407 1.00 75.14 C ATOM 572 O ALA A 38 22.964 2.311 -3.850 1.00 41.44 O ATOM 573 CB ALA A 38 24.435 0.085 -5.396 1.00 14.52 C ATOM 0 H ALA A 38 23.701 2.706 -6.278 1.00 32.23 H new ATOM 0 HA ALA A 38 22.422 0.054 -6.121 1.00 70.03 H new ATOM 0 HB1 ALA A 38 24.273 -0.709 -4.667 1.00 14.52 H new ATOM 0 HB2 ALA A 38 24.836 -0.342 -6.315 1.00 14.52 H new ATOM 0 HB3 ALA A 38 25.144 0.808 -4.992 1.00 14.52 H new ATOM 579 N CYS A 39 21.442 0.657 -3.942 1.00 33.22 N ATOM 580 CA CYS A 39 20.758 1.070 -2.721 1.00 72.05 C ATOM 581 C CYS A 39 21.442 0.485 -1.490 1.00 50.02 C ATOM 582 O CYS A 39 21.934 -0.643 -1.519 1.00 53.51 O ATOM 583 CB CYS A 39 19.292 0.634 -2.761 1.00 4.41 C ATOM 584 SG CYS A 39 18.333 1.141 -1.314 1.00 73.35 S ATOM 0 H CYS A 39 21.042 -0.167 -4.391 1.00 33.22 H new ATOM 0 HA CYS A 39 20.805 2.157 -2.657 1.00 72.05 H new ATOM 0 HB2 CYS A 39 18.825 1.046 -3.656 1.00 4.41 H new ATOM 0 HB3 CYS A 39 19.249 -0.451 -2.850 1.00 4.41 H new ATOM 0 HG CYS A 39 18.619 0.366 -0.311 1.00 73.35 H new ATOM 590 N GLU A 40 21.470 1.261 -0.411 1.00 24.52 N ATOM 591 CA GLU A 40 22.097 0.819 0.830 1.00 40.23 C ATOM 592 C GLU A 40 21.062 0.682 1.943 1.00 64.10 C ATOM 593 O GLU A 40 20.492 1.671 2.401 1.00 51.24 O ATOM 594 CB GLU A 40 23.190 1.803 1.253 1.00 62.31 C ATOM 595 CG GLU A 40 24.223 1.199 2.189 1.00 22.42 C ATOM 596 CD GLU A 40 25.048 0.113 1.525 1.00 4.34 C ATOM 597 OE1 GLU A 40 25.824 0.440 0.602 1.00 33.42 O ATOM 598 OE2 GLU A 40 24.919 -1.061 1.928 1.00 31.43 O ATOM 0 H GLU A 40 21.067 2.197 -0.371 1.00 24.52 H new ATOM 0 HA GLU A 40 22.546 -0.158 0.653 1.00 40.23 H new ATOM 0 HB2 GLU A 40 23.694 2.178 0.362 1.00 62.31 H new ATOM 0 HB3 GLU A 40 22.726 2.660 1.741 1.00 62.31 H new ATOM 0 HG2 GLU A 40 24.886 1.986 2.548 1.00 22.42 H new ATOM 0 HG3 GLU A 40 23.719 0.784 3.062 1.00 22.42 H new ATOM 605 N GLY A 41 20.825 -0.554 2.374 1.00 44.53 N ATOM 606 CA GLY A 41 19.860 -0.799 3.429 1.00 53.21 C ATOM 607 C GLY A 41 18.430 -0.614 2.961 1.00 71.04 C ATOM 608 O GLY A 41 18.180 0.047 1.953 1.00 41.50 O ATOM 0 H GLY A 41 21.284 -1.389 2.011 1.00 44.53 H new ATOM 0 HA2 GLY A 41 19.987 -1.814 3.805 1.00 53.21 H new ATOM 0 HA3 GLY A 41 20.057 -0.123 4.261 1.00 53.21 H new ATOM 612 N SER A 42 17.489 -1.201 3.692 1.00 35.54 N ATOM 613 CA SER A 42 16.076 -1.103 3.343 1.00 22.00 C ATOM 614 C SER A 42 15.422 0.077 4.055 1.00 54.13 C ATOM 615 O SER A 42 15.280 0.079 5.278 1.00 23.34 O ATOM 616 CB SER A 42 15.348 -2.399 3.705 1.00 61.02 C ATOM 617 OG SER A 42 15.989 -3.523 3.127 1.00 44.33 O ATOM 0 H SER A 42 17.679 -1.750 4.530 1.00 35.54 H new ATOM 0 HA SER A 42 16.003 -0.942 2.267 1.00 22.00 H new ATOM 0 HB2 SER A 42 15.317 -2.512 4.789 1.00 61.02 H new ATOM 0 HB3 SER A 42 14.315 -2.348 3.360 1.00 61.02 H new ATOM 0 HG SER A 42 15.505 -4.339 3.375 1.00 44.33 H new ATOM 623 N LEU A 43 15.024 1.080 3.280 1.00 53.11 N ATOM 624 CA LEU A 43 14.383 2.268 3.834 1.00 24.24 C ATOM 625 C LEU A 43 12.874 2.073 3.943 1.00 64.45 C ATOM 626 O LEU A 43 12.155 2.158 2.948 1.00 72.41 O ATOM 627 CB LEU A 43 14.690 3.489 2.966 1.00 2.21 C ATOM 628 CG LEU A 43 14.471 4.852 3.623 1.00 11.25 C ATOM 629 CD1 LEU A 43 15.372 5.901 2.991 1.00 43.11 C ATOM 630 CD2 LEU A 43 13.011 5.267 3.517 1.00 73.11 C ATOM 0 H LEU A 43 15.134 1.094 2.266 1.00 53.11 H new ATOM 0 HA LEU A 43 14.782 2.432 4.835 1.00 24.24 H new ATOM 0 HB2 LEU A 43 15.729 3.427 2.642 1.00 2.21 H new ATOM 0 HB3 LEU A 43 14.072 3.437 2.069 1.00 2.21 H new ATOM 0 HG LEU A 43 14.729 4.770 4.679 1.00 11.25 H new ATOM 0 HD11 LEU A 43 15.202 6.864 3.472 1.00 43.11 H new ATOM 0 HD12 LEU A 43 16.415 5.610 3.120 1.00 43.11 H new ATOM 0 HD13 LEU A 43 15.146 5.981 1.928 1.00 43.11 H new ATOM 0 HD21 LEU A 43 12.874 6.239 3.990 1.00 73.11 H new ATOM 0 HD22 LEU A 43 12.726 5.331 2.467 1.00 73.11 H new ATOM 0 HD23 LEU A 43 12.385 4.528 4.018 1.00 73.11 H new ATOM 642 N ALA A 44 12.402 1.813 5.157 1.00 21.33 N ATOM 643 CA ALA A 44 10.979 1.610 5.396 1.00 34.02 C ATOM 644 C ALA A 44 10.475 2.516 6.514 1.00 0.42 C ATOM 645 O ALA A 44 10.807 2.319 7.684 1.00 61.44 O ATOM 646 CB ALA A 44 10.702 0.152 5.731 1.00 21.24 C ATOM 0 H ALA A 44 12.985 1.738 5.991 1.00 21.33 H new ATOM 0 HA ALA A 44 10.443 1.870 4.483 1.00 34.02 H new ATOM 0 HB1 ALA A 44 9.635 0.015 5.907 1.00 21.24 H new ATOM 0 HB2 ALA A 44 11.016 -0.478 4.899 1.00 21.24 H new ATOM 0 HB3 ALA A 44 11.256 -0.127 6.627 1.00 21.24 H new ATOM 652 N CYS A 45 9.674 3.510 6.148 1.00 55.33 N ATOM 653 CA CYS A 45 9.125 4.449 7.121 1.00 62.35 C ATOM 654 C CYS A 45 7.646 4.707 6.853 1.00 20.21 C ATOM 655 O CYS A 45 7.051 4.100 5.962 1.00 11.35 O ATOM 656 CB CYS A 45 9.900 5.767 7.082 1.00 64.51 C ATOM 657 SG CYS A 45 11.602 5.640 7.681 1.00 15.15 S ATOM 0 H CYS A 45 9.390 3.687 5.185 1.00 55.33 H new ATOM 0 HA CYS A 45 9.224 4.006 8.112 1.00 62.35 H new ATOM 0 HB2 CYS A 45 9.913 6.138 6.057 1.00 64.51 H new ATOM 0 HB3 CYS A 45 9.369 6.506 7.682 1.00 64.51 H new ATOM 0 HG CYS A 45 11.897 4.391 7.890 1.00 15.15 H new ATOM 663 N SER A 46 7.058 5.609 7.632 1.00 51.54 N ATOM 664 CA SER A 46 5.646 5.944 7.483 1.00 64.14 C ATOM 665 C SER A 46 5.470 7.427 7.169 1.00 34.45 C ATOM 666 O SER A 46 4.894 7.793 6.144 1.00 1.12 O ATOM 667 CB SER A 46 4.878 5.585 8.756 1.00 23.20 C ATOM 668 OG SER A 46 5.204 4.278 9.196 1.00 34.24 O ATOM 0 H SER A 46 7.537 6.121 8.373 1.00 51.54 H new ATOM 0 HA SER A 46 5.246 5.365 6.651 1.00 64.14 H new ATOM 0 HB2 SER A 46 5.111 6.305 9.540 1.00 23.20 H new ATOM 0 HB3 SER A 46 3.806 5.653 8.569 1.00 23.20 H new ATOM 0 HG SER A 46 4.702 4.073 10.012 1.00 34.24 H new ATOM 674 N THR A 47 5.969 8.277 8.061 1.00 11.11 N ATOM 675 CA THR A 47 5.866 9.720 7.882 1.00 31.23 C ATOM 676 C THR A 47 7.182 10.307 7.385 1.00 13.53 C ATOM 677 O THR A 47 8.212 10.200 8.052 1.00 15.43 O ATOM 678 CB THR A 47 5.466 10.421 9.194 1.00 5.41 C ATOM 679 OG1 THR A 47 6.013 9.715 10.314 1.00 72.15 O ATOM 680 CG2 THR A 47 3.953 10.500 9.327 1.00 61.51 C ATOM 0 H THR A 47 6.448 7.991 8.915 1.00 11.11 H new ATOM 0 HA THR A 47 5.090 9.892 7.136 1.00 31.23 H new ATOM 0 HB THR A 47 5.866 11.435 9.174 1.00 5.41 H new ATOM 0 HG1 THR A 47 5.755 10.168 11.144 1.00 72.15 H new ATOM 0 HG21 THR A 47 3.695 10.999 10.261 1.00 61.51 H new ATOM 0 HG22 THR A 47 3.543 11.064 8.489 1.00 61.51 H new ATOM 0 HG23 THR A 47 3.535 9.493 9.326 1.00 61.51 H new ATOM 688 N CYS A 48 7.141 10.928 6.212 1.00 51.43 N ATOM 689 CA CYS A 48 8.331 11.534 5.625 1.00 24.42 C ATOM 690 C CYS A 48 7.982 12.830 4.902 1.00 1.54 C ATOM 691 O CYS A 48 6.849 13.307 4.973 1.00 73.04 O ATOM 692 CB CYS A 48 8.999 10.558 4.655 1.00 42.55 C ATOM 693 SG CYS A 48 9.452 8.973 5.396 1.00 21.21 S ATOM 0 H CYS A 48 6.297 11.025 5.648 1.00 51.43 H new ATOM 0 HA CYS A 48 9.026 11.766 6.432 1.00 24.42 H new ATOM 0 HB2 CYS A 48 8.325 10.376 3.818 1.00 42.55 H new ATOM 0 HB3 CYS A 48 9.895 11.025 4.246 1.00 42.55 H new ATOM 0 HG CYS A 48 9.229 9.013 6.676 1.00 21.21 H new ATOM 699 N HIS A 49 8.964 13.398 4.209 1.00 53.32 N ATOM 700 CA HIS A 49 8.760 14.641 3.474 1.00 44.55 C ATOM 701 C HIS A 49 7.694 14.467 2.396 1.00 11.44 C ATOM 702 O HIS A 49 6.997 13.454 2.357 1.00 73.42 O ATOM 703 CB HIS A 49 10.072 15.104 2.839 1.00 63.43 C ATOM 704 CG HIS A 49 10.456 14.322 1.620 1.00 52.42 C ATOM 705 ND1 HIS A 49 10.228 14.771 0.336 1.00 75.31 N ATOM 706 CD2 HIS A 49 11.057 13.116 1.494 1.00 0.22 C ATOM 707 CE1 HIS A 49 10.670 13.873 -0.527 1.00 2.34 C ATOM 708 NE2 HIS A 49 11.179 12.860 0.151 1.00 73.33 N ATOM 0 H HIS A 49 9.908 13.018 4.141 1.00 53.32 H new ATOM 0 HA HIS A 49 8.418 15.399 4.179 1.00 44.55 H new ATOM 0 HB2 HIS A 49 9.985 16.157 2.573 1.00 63.43 H new ATOM 0 HB3 HIS A 49 10.871 15.027 3.577 1.00 63.43 H new ATOM 0 HD1 HIS A 49 9.787 15.658 0.091 1.00 75.31 H new ATOM 0 HD2 HIS A 49 11.380 12.474 2.300 1.00 0.22 H new ATOM 0 HE1 HIS A 49 10.623 13.954 -1.603 1.00 2.34 H new ATOM 716 N VAL A 50 7.572 15.463 1.525 1.00 41.54 N ATOM 717 CA VAL A 50 6.591 15.420 0.447 1.00 50.41 C ATOM 718 C VAL A 50 7.244 15.698 -0.902 1.00 41.33 C ATOM 719 O VAL A 50 8.170 16.504 -1.001 1.00 23.24 O ATOM 720 CB VAL A 50 5.460 16.440 0.677 1.00 75.11 C ATOM 721 CG1 VAL A 50 4.509 15.948 1.758 1.00 40.12 C ATOM 722 CG2 VAL A 50 6.035 17.801 1.040 1.00 73.41 C ATOM 0 H VAL A 50 8.140 16.310 1.545 1.00 41.54 H new ATOM 0 HA VAL A 50 6.169 14.415 0.443 1.00 50.41 H new ATOM 0 HB VAL A 50 4.896 16.545 -0.250 1.00 75.11 H new ATOM 0 HG11 VAL A 50 3.717 16.681 1.907 1.00 40.12 H new ATOM 0 HG12 VAL A 50 4.071 14.998 1.452 1.00 40.12 H new ATOM 0 HG13 VAL A 50 5.057 15.812 2.690 1.00 40.12 H new ATOM 0 HG21 VAL A 50 5.222 18.509 1.199 1.00 73.41 H new ATOM 0 HG22 VAL A 50 6.625 17.715 1.953 1.00 73.41 H new ATOM 0 HG23 VAL A 50 6.671 18.155 0.229 1.00 73.41 H new ATOM 732 N ILE A 51 6.755 15.027 -1.939 1.00 62.05 N ATOM 733 CA ILE A 51 7.291 15.203 -3.284 1.00 14.13 C ATOM 734 C ILE A 51 6.177 15.189 -4.325 1.00 52.22 C ATOM 735 O ILE A 51 5.541 14.160 -4.555 1.00 12.13 O ATOM 736 CB ILE A 51 8.315 14.107 -3.630 1.00 23.42 C ATOM 737 CG1 ILE A 51 8.562 14.067 -5.139 1.00 62.12 C ATOM 738 CG2 ILE A 51 7.832 12.753 -3.131 1.00 14.21 C ATOM 739 CD1 ILE A 51 9.670 13.120 -5.546 1.00 34.04 C ATOM 0 H ILE A 51 5.989 14.357 -1.874 1.00 62.05 H new ATOM 0 HA ILE A 51 7.789 16.172 -3.301 1.00 14.13 H new ATOM 0 HB ILE A 51 9.256 14.341 -3.133 1.00 23.42 H new ATOM 0 HG12 ILE A 51 7.641 13.773 -5.642 1.00 62.12 H new ATOM 0 HG13 ILE A 51 8.808 15.071 -5.485 1.00 62.12 H new ATOM 0 HG21 ILE A 51 8.567 11.989 -3.383 1.00 14.21 H new ATOM 0 HG22 ILE A 51 7.703 12.789 -2.049 1.00 14.21 H new ATOM 0 HG23 ILE A 51 6.880 12.510 -3.602 1.00 14.21 H new ATOM 0 HD11 ILE A 51 9.789 13.144 -6.629 1.00 34.04 H new ATOM 0 HD12 ILE A 51 10.603 13.426 -5.072 1.00 34.04 H new ATOM 0 HD13 ILE A 51 9.417 12.108 -5.231 1.00 34.04 H new ATOM 751 N ILE A 52 5.948 16.337 -4.954 1.00 15.35 N ATOM 752 CA ILE A 52 4.913 16.456 -5.973 1.00 14.20 C ATOM 753 C ILE A 52 5.469 17.073 -7.252 1.00 20.50 C ATOM 754 O ILE A 52 6.525 17.705 -7.240 1.00 11.41 O ATOM 755 CB ILE A 52 3.730 17.309 -5.478 1.00 11.43 C ATOM 756 CG1 ILE A 52 4.224 18.406 -4.532 1.00 65.11 C ATOM 757 CG2 ILE A 52 2.697 16.432 -4.786 1.00 40.21 C ATOM 758 CD1 ILE A 52 5.232 19.340 -5.165 1.00 13.41 C ATOM 0 H ILE A 52 6.465 17.198 -4.776 1.00 15.35 H new ATOM 0 HA ILE A 52 4.560 15.446 -6.183 1.00 14.20 H new ATOM 0 HB ILE A 52 3.258 17.783 -6.339 1.00 11.43 H new ATOM 0 HG12 ILE A 52 3.370 18.987 -4.185 1.00 65.11 H new ATOM 0 HG13 ILE A 52 4.672 17.942 -3.653 1.00 65.11 H new ATOM 0 HG21 ILE A 52 1.867 17.050 -4.442 1.00 40.21 H new ATOM 0 HG22 ILE A 52 2.326 15.684 -5.487 1.00 40.21 H new ATOM 0 HG23 ILE A 52 3.156 15.933 -3.933 1.00 40.21 H new ATOM 0 HD11 ILE A 52 5.538 20.092 -4.438 1.00 13.41 H new ATOM 0 HD12 ILE A 52 6.104 18.770 -5.487 1.00 13.41 H new ATOM 0 HD13 ILE A 52 4.781 19.832 -6.027 1.00 13.41 H new ATOM 770 N ASP A 53 4.751 16.885 -8.354 1.00 32.34 N ATOM 771 CA ASP A 53 5.171 17.425 -9.641 1.00 72.45 C ATOM 772 C ASP A 53 5.436 18.924 -9.542 1.00 20.41 C ATOM 773 O ASP A 53 4.933 19.610 -8.652 1.00 3.01 O ATOM 774 CB ASP A 53 4.106 17.152 -10.705 1.00 14.23 C ATOM 775 CG ASP A 53 2.707 17.479 -10.220 1.00 32.12 C ATOM 776 OD1 ASP A 53 2.198 16.750 -9.343 1.00 51.10 O ATOM 777 OD2 ASP A 53 2.121 18.463 -10.718 1.00 14.12 O ATOM 0 H ASP A 53 3.875 16.363 -8.381 1.00 32.34 H new ATOM 0 HA ASP A 53 6.098 16.929 -9.930 1.00 72.45 H new ATOM 0 HB2 ASP A 53 4.326 17.742 -11.595 1.00 14.23 H new ATOM 0 HB3 ASP A 53 4.150 16.103 -10.998 1.00 14.23 H new ATOM 782 N PRO A 54 6.246 19.445 -10.476 1.00 34.04 N ATOM 783 CA PRO A 54 6.597 20.868 -10.514 1.00 35.20 C ATOM 784 C PRO A 54 5.414 21.746 -10.909 1.00 1.15 C ATOM 785 O PRO A 54 5.451 22.965 -10.742 1.00 3.12 O ATOM 786 CB PRO A 54 7.692 20.934 -11.581 1.00 53.34 C ATOM 787 CG PRO A 54 7.435 19.759 -12.461 1.00 4.42 C ATOM 788 CD PRO A 54 6.880 18.686 -11.566 1.00 62.21 C ATOM 0 HA PRO A 54 6.911 21.237 -9.538 1.00 35.20 H new ATOM 0 HB2 PRO A 54 7.642 21.867 -12.142 1.00 53.34 H new ATOM 0 HB3 PRO A 54 8.685 20.884 -11.133 1.00 53.34 H new ATOM 0 HG2 PRO A 54 6.729 20.011 -13.252 1.00 4.42 H new ATOM 0 HG3 PRO A 54 8.353 19.427 -12.946 1.00 4.42 H new ATOM 0 HD2 PRO A 54 6.160 18.058 -12.090 1.00 62.21 H new ATOM 0 HD3 PRO A 54 7.665 18.028 -11.194 1.00 62.21 H new ATOM 796 N SER A 55 4.366 21.119 -11.432 1.00 34.21 N ATOM 797 CA SER A 55 3.173 21.844 -11.853 1.00 51.43 C ATOM 798 C SER A 55 2.249 22.106 -10.668 1.00 32.32 C ATOM 799 O SER A 55 1.467 23.057 -10.674 1.00 64.11 O ATOM 800 CB SER A 55 2.427 21.058 -12.933 1.00 35.14 C ATOM 801 OG SER A 55 1.671 21.922 -13.763 1.00 14.52 O ATOM 0 H SER A 55 4.319 20.110 -11.575 1.00 34.21 H new ATOM 0 HA SER A 55 3.488 22.803 -12.264 1.00 51.43 H new ATOM 0 HB2 SER A 55 3.141 20.499 -13.539 1.00 35.14 H new ATOM 0 HB3 SER A 55 1.766 20.328 -12.465 1.00 35.14 H new ATOM 0 HG SER A 55 1.205 21.395 -14.446 1.00 14.52 H new ATOM 807 N TRP A 56 2.345 21.255 -9.653 1.00 33.23 N ATOM 808 CA TRP A 56 1.518 21.393 -8.459 1.00 75.23 C ATOM 809 C TRP A 56 2.286 22.090 -7.342 1.00 52.32 C ATOM 810 O TRP A 56 1.691 22.712 -6.461 1.00 61.32 O ATOM 811 CB TRP A 56 1.037 20.020 -7.985 1.00 44.21 C ATOM 812 CG TRP A 56 -0.430 19.976 -7.684 1.00 72.30 C ATOM 813 CD1 TRP A 56 -1.014 19.969 -6.449 1.00 63.43 C ATOM 814 CD2 TRP A 56 -1.499 19.930 -8.635 1.00 51.24 C ATOM 815 NE1 TRP A 56 -2.381 19.921 -6.576 1.00 11.32 N ATOM 816 CE2 TRP A 56 -2.704 19.898 -7.907 1.00 33.13 C ATOM 817 CE3 TRP A 56 -1.556 19.916 -10.032 1.00 22.34 C ATOM 818 CZ2 TRP A 56 -3.949 19.851 -8.529 1.00 21.21 C ATOM 819 CZ3 TRP A 56 -2.792 19.869 -10.648 1.00 21.44 C ATOM 820 CH2 TRP A 56 -3.975 19.837 -9.897 1.00 42.40 C ATOM 0 H TRP A 56 2.987 20.462 -9.632 1.00 33.23 H new ATOM 0 HA TRP A 56 0.653 22.005 -8.715 1.00 75.23 H new ATOM 0 HB2 TRP A 56 1.266 19.279 -8.751 1.00 44.21 H new ATOM 0 HB3 TRP A 56 1.593 19.737 -7.091 1.00 44.21 H new ATOM 0 HD1 TRP A 56 -0.480 19.997 -5.511 1.00 63.43 H new ATOM 0 HE1 TRP A 56 -3.048 19.905 -5.804 1.00 11.32 H new ATOM 0 HE3 TRP A 56 -0.650 19.941 -10.619 1.00 22.34 H new ATOM 0 HZ2 TRP A 56 -4.862 19.826 -7.952 1.00 21.21 H new ATOM 0 HZ3 TRP A 56 -2.847 19.857 -11.727 1.00 21.44 H new ATOM 0 HH2 TRP A 56 -4.926 19.801 -10.408 1.00 42.40 H new ATOM 831 N TYR A 57 3.609 21.984 -7.384 1.00 62.24 N ATOM 832 CA TYR A 57 4.458 22.603 -6.374 1.00 24.03 C ATOM 833 C TYR A 57 4.162 24.095 -6.252 1.00 72.44 C ATOM 834 O TYR A 57 4.200 24.660 -5.159 1.00 73.42 O ATOM 835 CB TYR A 57 5.934 22.391 -6.718 1.00 13.32 C ATOM 836 CG TYR A 57 6.876 23.227 -5.882 1.00 4.13 C ATOM 837 CD1 TYR A 57 7.164 22.879 -4.568 1.00 4.54 C ATOM 838 CD2 TYR A 57 7.478 24.365 -6.405 1.00 62.42 C ATOM 839 CE1 TYR A 57 8.024 23.640 -3.800 1.00 5.35 C ATOM 840 CE2 TYR A 57 8.341 25.131 -5.645 1.00 74.41 C ATOM 841 CZ TYR A 57 8.610 24.765 -4.343 1.00 24.51 C ATOM 842 OH TYR A 57 9.468 25.526 -3.582 1.00 31.30 O ATOM 0 H TYR A 57 4.117 21.475 -8.107 1.00 62.24 H new ATOM 0 HA TYR A 57 4.243 22.129 -5.416 1.00 24.03 H new ATOM 0 HB2 TYR A 57 6.182 21.338 -6.586 1.00 13.32 H new ATOM 0 HB3 TYR A 57 6.090 22.626 -7.771 1.00 13.32 H new ATOM 0 HD1 TYR A 57 6.708 21.999 -4.140 1.00 4.54 H new ATOM 0 HD2 TYR A 57 7.268 24.656 -7.424 1.00 62.42 H new ATOM 0 HE1 TYR A 57 8.237 23.356 -2.780 1.00 5.35 H new ATOM 0 HE2 TYR A 57 8.802 26.011 -6.068 1.00 74.41 H new ATOM 0 HH TYR A 57 9.795 26.281 -4.114 1.00 31.30 H new ATOM 852 N ASP A 58 3.866 24.726 -7.383 1.00 70.11 N ATOM 853 CA ASP A 58 3.561 26.152 -7.405 1.00 73.23 C ATOM 854 C ASP A 58 2.224 26.432 -6.725 1.00 4.11 C ATOM 855 O ASP A 58 1.993 27.530 -6.219 1.00 1.53 O ATOM 856 CB ASP A 58 3.532 26.666 -8.845 1.00 52.53 C ATOM 857 CG ASP A 58 3.149 28.131 -8.929 1.00 74.11 C ATOM 858 OD1 ASP A 58 3.411 28.869 -7.957 1.00 21.02 O ATOM 859 OD2 ASP A 58 2.585 28.539 -9.967 1.00 23.23 O ATOM 0 H ASP A 58 3.831 24.273 -8.296 1.00 70.11 H new ATOM 0 HA ASP A 58 4.344 26.675 -6.856 1.00 73.23 H new ATOM 0 HB2 ASP A 58 4.513 26.523 -9.299 1.00 52.53 H new ATOM 0 HB3 ASP A 58 2.824 26.074 -9.425 1.00 52.53 H new ATOM 864 N ILE A 59 1.349 25.433 -6.718 1.00 73.20 N ATOM 865 CA ILE A 59 0.036 25.572 -6.100 1.00 0.30 C ATOM 866 C ILE A 59 0.120 25.403 -4.587 1.00 20.12 C ATOM 867 O ILE A 59 -0.394 26.226 -3.830 1.00 1.44 O ATOM 868 CB ILE A 59 -0.964 24.547 -6.665 1.00 72.33 C ATOM 869 CG1 ILE A 59 -1.131 24.742 -8.174 1.00 2.13 C ATOM 870 CG2 ILE A 59 -2.306 24.670 -5.958 1.00 43.14 C ATOM 871 CD1 ILE A 59 -1.912 23.634 -8.844 1.00 20.41 C ATOM 0 H ILE A 59 1.525 24.518 -7.133 1.00 73.20 H new ATOM 0 HA ILE A 59 -0.317 26.577 -6.332 1.00 0.30 H new ATOM 0 HB ILE A 59 -0.573 23.545 -6.488 1.00 72.33 H new ATOM 0 HG12 ILE A 59 -1.634 25.692 -8.356 1.00 2.13 H new ATOM 0 HG13 ILE A 59 -0.145 24.810 -8.634 1.00 2.13 H new ATOM 0 HG21 ILE A 59 -3.002 23.939 -6.369 1.00 43.14 H new ATOM 0 HG22 ILE A 59 -2.174 24.486 -4.892 1.00 43.14 H new ATOM 0 HG23 ILE A 59 -2.705 25.674 -6.106 1.00 43.14 H new ATOM 0 HD11 ILE A 59 -1.991 23.839 -9.912 1.00 20.41 H new ATOM 0 HD12 ILE A 59 -1.398 22.684 -8.693 1.00 20.41 H new ATOM 0 HD13 ILE A 59 -2.911 23.579 -8.410 1.00 20.41 H new ATOM 883 N VAL A 60 0.773 24.330 -4.152 1.00 63.12 N ATOM 884 CA VAL A 60 0.928 24.053 -2.729 1.00 51.41 C ATOM 885 C VAL A 60 1.804 25.105 -2.057 1.00 33.21 C ATOM 886 O VAL A 60 1.744 25.292 -0.842 1.00 73.42 O ATOM 887 CB VAL A 60 1.542 22.661 -2.491 1.00 44.14 C ATOM 888 CG1 VAL A 60 0.566 21.569 -2.902 1.00 0.34 C ATOM 889 CG2 VAL A 60 2.856 22.523 -3.245 1.00 45.42 C ATOM 0 H VAL A 60 1.203 23.638 -4.765 1.00 63.12 H new ATOM 0 HA VAL A 60 -0.070 24.081 -2.291 1.00 51.41 H new ATOM 0 HB VAL A 60 1.746 22.551 -1.426 1.00 44.14 H new ATOM 0 HG11 VAL A 60 1.018 20.593 -2.727 1.00 0.34 H new ATOM 0 HG12 VAL A 60 -0.348 21.657 -2.314 1.00 0.34 H new ATOM 0 HG13 VAL A 60 0.328 21.674 -3.960 1.00 0.34 H new ATOM 0 HG21 VAL A 60 3.276 21.533 -3.066 1.00 45.42 H new ATOM 0 HG22 VAL A 60 2.678 22.654 -4.312 1.00 45.42 H new ATOM 0 HG23 VAL A 60 3.556 23.283 -2.898 1.00 45.42 H new ATOM 899 N GLU A 61 2.616 25.789 -2.856 1.00 43.10 N ATOM 900 CA GLU A 61 3.505 26.822 -2.337 1.00 41.22 C ATOM 901 C GLU A 61 2.749 28.129 -2.114 1.00 72.33 C ATOM 902 O GLU A 61 3.062 28.890 -1.200 1.00 4.31 O ATOM 903 CB GLU A 61 4.672 27.053 -3.300 1.00 54.31 C ATOM 904 CG GLU A 61 5.607 28.170 -2.866 1.00 73.35 C ATOM 905 CD GLU A 61 6.624 28.526 -3.933 1.00 71.11 C ATOM 906 OE1 GLU A 61 6.268 28.488 -5.129 1.00 51.44 O ATOM 907 OE2 GLU A 61 7.776 28.843 -3.571 1.00 24.33 O ATOM 0 H GLU A 61 2.677 25.647 -3.864 1.00 43.10 H new ATOM 0 HA GLU A 61 3.896 26.481 -1.379 1.00 41.22 H new ATOM 0 HB2 GLU A 61 5.243 26.129 -3.394 1.00 54.31 H new ATOM 0 HB3 GLU A 61 4.276 27.286 -4.289 1.00 54.31 H new ATOM 0 HG2 GLU A 61 5.020 29.055 -2.619 1.00 73.35 H new ATOM 0 HG3 GLU A 61 6.129 27.870 -1.957 1.00 73.35 H new ATOM 914 N GLN A 62 1.752 28.380 -2.957 1.00 44.12 N ATOM 915 CA GLN A 62 0.952 29.595 -2.853 1.00 64.31 C ATOM 916 C GLN A 62 -0.210 29.400 -1.885 1.00 23.22 C ATOM 917 O GLN A 62 -0.666 30.349 -1.247 1.00 2.31 O ATOM 918 CB GLN A 62 0.422 30.001 -4.229 1.00 44.13 C ATOM 919 CG GLN A 62 -0.563 29.006 -4.820 1.00 34.03 C ATOM 920 CD GLN A 62 -1.273 29.545 -6.046 1.00 15.43 C ATOM 921 OE1 GLN A 62 -2.283 30.242 -5.936 1.00 43.44 O ATOM 922 NE2 GLN A 62 -0.749 29.225 -7.223 1.00 3.32 N ATOM 0 H GLN A 62 1.479 27.759 -3.719 1.00 44.12 H new ATOM 0 HA GLN A 62 1.592 30.390 -2.469 1.00 64.31 H new ATOM 0 HB2 GLN A 62 -0.061 30.975 -4.150 1.00 44.13 H new ATOM 0 HB3 GLN A 62 1.263 30.117 -4.913 1.00 44.13 H new ATOM 0 HG2 GLN A 62 -0.034 28.090 -5.085 1.00 34.03 H new ATOM 0 HG3 GLN A 62 -1.302 28.740 -4.064 1.00 34.03 H new ATOM 0 HE21 GLN A 62 0.089 28.645 -7.268 1.00 3.32 H new ATOM 0 HE22 GLN A 62 -1.184 29.559 -8.083 1.00 3.32 H new ATOM 931 N HIS A 63 -0.685 28.163 -1.780 1.00 72.10 N ATOM 932 CA HIS A 63 -1.795 27.843 -0.889 1.00 2.32 C ATOM 933 C HIS A 63 -1.285 27.459 0.497 1.00 72.21 C ATOM 934 O HIS A 63 -2.050 26.999 1.344 1.00 5.11 O ATOM 935 CB HIS A 63 -2.632 26.704 -1.471 1.00 55.51 C ATOM 936 CG HIS A 63 -3.544 27.137 -2.578 1.00 61.22 C ATOM 937 ND1 HIS A 63 -4.057 26.264 -3.515 1.00 0.34 N ATOM 938 CD2 HIS A 63 -4.035 28.358 -2.895 1.00 31.32 C ATOM 939 CE1 HIS A 63 -4.823 26.930 -4.360 1.00 40.13 C ATOM 940 NE2 HIS A 63 -4.827 28.202 -4.006 1.00 2.51 N ATOM 0 H HIS A 63 -0.319 27.366 -2.301 1.00 72.10 H new ATOM 0 HA HIS A 63 -2.420 28.731 -0.794 1.00 2.32 H new ATOM 0 HB2 HIS A 63 -1.964 25.927 -1.844 1.00 55.51 H new ATOM 0 HB3 HIS A 63 -3.227 26.257 -0.674 1.00 55.51 H new ATOM 0 HD2 HIS A 63 -3.840 29.282 -2.372 1.00 31.32 H new ATOM 0 HE1 HIS A 63 -5.356 26.506 -5.198 1.00 40.13 H new ATOM 0 HE2 HIS A 63 -5.336 28.948 -4.481 1.00 2.51 H new ATOM 948 N ASN A 64 0.011 27.650 0.719 1.00 22.44 N ATOM 949 CA ASN A 64 0.623 27.321 2.002 1.00 50.40 C ATOM 950 C ASN A 64 1.670 28.362 2.388 1.00 52.14 C ATOM 951 O ASN A 64 2.326 28.945 1.525 1.00 11.12 O ATOM 952 CB ASN A 64 1.264 25.934 1.944 1.00 25.53 C ATOM 953 CG ASN A 64 1.225 25.222 3.283 1.00 10.20 C ATOM 954 OD1 ASN A 64 1.201 25.859 4.336 1.00 4.14 O ATOM 955 ND2 ASN A 64 1.218 23.895 3.248 1.00 71.25 N ATOM 0 H ASN A 64 0.658 28.031 0.028 1.00 22.44 H new ATOM 0 HA ASN A 64 -0.160 27.320 2.760 1.00 50.40 H new ATOM 0 HB2 ASN A 64 0.748 25.329 1.199 1.00 25.53 H new ATOM 0 HB3 ASN A 64 2.299 26.029 1.616 1.00 25.53 H new ATOM 0 HD21 ASN A 64 1.192 23.362 4.117 1.00 71.25 H new ATOM 0 HD22 ASN A 64 1.239 23.408 2.352 1.00 71.25 H new ATOM 962 N GLU A 65 1.820 28.589 3.689 1.00 72.31 N ATOM 963 CA GLU A 65 2.787 29.559 4.188 1.00 12.30 C ATOM 964 C GLU A 65 4.011 28.858 4.769 1.00 22.01 C ATOM 965 O GLU A 65 3.953 27.682 5.129 1.00 20.14 O ATOM 966 CB GLU A 65 2.144 30.452 5.252 1.00 42.14 C ATOM 967 CG GLU A 65 1.845 29.728 6.554 1.00 54.43 C ATOM 968 CD GLU A 65 2.566 30.339 7.740 1.00 72.13 C ATOM 969 OE1 GLU A 65 2.448 31.566 7.937 1.00 15.54 O ATOM 970 OE2 GLU A 65 3.248 29.590 8.470 1.00 41.14 O ATOM 0 H GLU A 65 1.284 28.115 4.416 1.00 72.31 H new ATOM 0 HA GLU A 65 3.108 30.178 3.350 1.00 12.30 H new ATOM 0 HB2 GLU A 65 2.807 31.293 5.457 1.00 42.14 H new ATOM 0 HB3 GLU A 65 1.217 30.866 4.855 1.00 42.14 H new ATOM 0 HG2 GLU A 65 0.771 29.747 6.738 1.00 54.43 H new ATOM 0 HG3 GLU A 65 2.134 28.681 6.458 1.00 54.43 H new ATOM 977 N ILE A 66 5.118 29.588 4.856 1.00 20.02 N ATOM 978 CA ILE A 66 6.356 29.037 5.394 1.00 72.24 C ATOM 979 C ILE A 66 6.746 29.728 6.695 1.00 11.25 C ATOM 980 O ILE A 66 6.792 30.956 6.769 1.00 53.13 O ATOM 981 CB ILE A 66 7.514 29.169 4.388 1.00 45.53 C ATOM 982 CG1 ILE A 66 7.579 30.595 3.836 1.00 4.35 C ATOM 983 CG2 ILE A 66 7.351 28.165 3.256 1.00 4.44 C ATOM 984 CD1 ILE A 66 8.716 30.816 2.863 1.00 23.23 C ATOM 0 H ILE A 66 5.183 30.562 4.561 1.00 20.02 H new ATOM 0 HA ILE A 66 6.173 27.980 5.588 1.00 72.24 H new ATOM 0 HB ILE A 66 8.450 28.956 4.905 1.00 45.53 H new ATOM 0 HG12 ILE A 66 6.637 30.827 3.340 1.00 4.35 H new ATOM 0 HG13 ILE A 66 7.682 31.293 4.667 1.00 4.35 H new ATOM 0 HG21 ILE A 66 8.178 28.271 2.554 1.00 4.44 H new ATOM 0 HG22 ILE A 66 7.349 27.154 3.664 1.00 4.44 H new ATOM 0 HG23 ILE A 66 6.409 28.349 2.739 1.00 4.44 H new ATOM 0 HD11 ILE A 66 8.700 31.848 2.513 1.00 23.23 H new ATOM 0 HD12 ILE A 66 9.665 30.616 3.361 1.00 23.23 H new ATOM 0 HD13 ILE A 66 8.604 30.143 2.013 1.00 23.23 H new ATOM 996 N SER A 67 7.028 28.931 7.721 1.00 1.10 N ATOM 997 CA SER A 67 7.413 29.466 9.022 1.00 51.22 C ATOM 998 C SER A 67 8.913 29.737 9.075 1.00 4.24 C ATOM 999 O SER A 67 9.621 29.575 8.081 1.00 54.13 O ATOM 1000 CB SER A 67 7.019 28.493 10.134 1.00 20.52 C ATOM 1001 OG SER A 67 5.682 28.051 9.975 1.00 31.25 O ATOM 0 H SER A 67 6.997 27.912 7.676 1.00 1.10 H new ATOM 0 HA SER A 67 6.886 30.408 9.171 1.00 51.22 H new ATOM 0 HB2 SER A 67 7.692 27.636 10.127 1.00 20.52 H new ATOM 0 HB3 SER A 67 7.132 28.979 11.103 1.00 20.52 H new ATOM 0 HG SER A 67 5.176 28.717 9.465 1.00 31.25 H new ATOM 1007 N ASP A 68 9.392 30.151 10.244 1.00 71.15 N ATOM 1008 CA ASP A 68 10.808 30.444 10.429 1.00 44.00 C ATOM 1009 C ASP A 68 11.663 29.223 10.105 1.00 60.34 C ATOM 1010 O ASP A 68 12.757 29.348 9.556 1.00 24.23 O ATOM 1011 CB ASP A 68 11.073 30.900 11.865 1.00 51.44 C ATOM 1012 CG ASP A 68 10.802 32.379 12.061 1.00 4.12 C ATOM 1013 OD1 ASP A 68 10.593 33.083 11.051 1.00 34.23 O ATOM 1014 OD2 ASP A 68 10.801 32.833 13.225 1.00 62.11 O ATOM 0 H ASP A 68 8.820 30.291 11.077 1.00 71.15 H new ATOM 0 HA ASP A 68 11.079 31.247 9.744 1.00 44.00 H new ATOM 0 HB2 ASP A 68 10.447 30.325 12.547 1.00 51.44 H new ATOM 0 HB3 ASP A 68 12.109 30.686 12.126 1.00 51.44 H new ATOM 1019 N GLU A 69 11.155 28.043 10.448 1.00 4.25 N ATOM 1020 CA GLU A 69 11.874 26.800 10.195 1.00 20.12 C ATOM 1021 C GLU A 69 11.672 26.339 8.755 1.00 61.43 C ATOM 1022 O GLU A 69 12.597 25.836 8.118 1.00 24.33 O ATOM 1023 CB GLU A 69 11.408 25.709 11.162 1.00 54.33 C ATOM 1024 CG GLU A 69 9.934 25.366 11.027 1.00 54.04 C ATOM 1025 CD GLU A 69 9.390 24.640 12.242 1.00 71.24 C ATOM 1026 OE1 GLU A 69 9.101 25.312 13.254 1.00 41.12 O ATOM 1027 OE2 GLU A 69 9.254 23.400 12.181 1.00 54.11 O ATOM 0 H GLU A 69 10.249 27.922 10.901 1.00 4.25 H new ATOM 0 HA GLU A 69 12.936 26.986 10.353 1.00 20.12 H new ATOM 0 HB2 GLU A 69 11.999 24.809 10.993 1.00 54.33 H new ATOM 0 HB3 GLU A 69 11.605 26.033 12.184 1.00 54.33 H new ATOM 0 HG2 GLU A 69 9.365 26.282 10.871 1.00 54.04 H new ATOM 0 HG3 GLU A 69 9.789 24.746 10.143 1.00 54.04 H new ATOM 1034 N GLU A 70 10.455 26.514 8.248 1.00 24.44 N ATOM 1035 CA GLU A 70 10.132 26.114 6.884 1.00 72.01 C ATOM 1036 C GLU A 70 10.916 26.945 5.873 1.00 45.21 C ATOM 1037 O GLU A 70 11.674 26.408 5.067 1.00 64.33 O ATOM 1038 CB GLU A 70 8.631 26.263 6.628 1.00 73.14 C ATOM 1039 CG GLU A 70 8.081 25.259 5.628 1.00 44.10 C ATOM 1040 CD GLU A 70 6.626 24.918 5.883 1.00 1.04 C ATOM 1041 OE1 GLU A 70 5.981 25.632 6.679 1.00 10.34 O ATOM 1042 OE2 GLU A 70 6.133 23.938 5.288 1.00 34.43 O ATOM 0 H GLU A 70 9.678 26.930 8.761 1.00 24.44 H new ATOM 0 HA GLU A 70 10.412 25.068 6.763 1.00 72.01 H new ATOM 0 HB2 GLU A 70 8.097 26.152 7.572 1.00 73.14 H new ATOM 0 HB3 GLU A 70 8.431 27.271 6.265 1.00 73.14 H new ATOM 0 HG2 GLU A 70 8.185 25.662 4.620 1.00 44.10 H new ATOM 0 HG3 GLU A 70 8.677 24.347 5.670 1.00 44.10 H new ATOM 1049 N ASN A 71 10.728 28.260 5.923 1.00 75.21 N ATOM 1050 CA ASN A 71 11.416 29.166 5.011 1.00 2.21 C ATOM 1051 C ASN A 71 12.928 28.986 5.104 1.00 63.21 C ATOM 1052 O ASN A 71 13.657 29.267 4.152 1.00 11.22 O ATOM 1053 CB ASN A 71 11.044 30.617 5.324 1.00 43.05 C ATOM 1054 CG ASN A 71 11.825 31.608 4.482 1.00 4.14 C ATOM 1055 OD1 ASN A 71 11.518 31.822 3.310 1.00 71.14 O ATOM 1056 ND2 ASN A 71 12.842 32.218 5.080 1.00 44.45 N ATOM 0 H ASN A 71 10.105 28.722 6.586 1.00 75.21 H new ATOM 0 HA ASN A 71 11.101 28.928 3.995 1.00 2.21 H new ATOM 0 HB2 ASN A 71 9.977 30.761 5.153 1.00 43.05 H new ATOM 0 HB3 ASN A 71 11.228 30.817 6.380 1.00 43.05 H new ATOM 0 HD21 ASN A 71 13.405 32.895 4.565 1.00 44.45 H new ATOM 0 HD22 ASN A 71 13.060 32.009 6.054 1.00 44.45 H new ATOM 1063 N ASP A 72 13.393 28.514 6.256 1.00 53.53 N ATOM 1064 CA ASP A 72 14.818 28.295 6.473 1.00 71.50 C ATOM 1065 C ASP A 72 15.268 26.981 5.841 1.00 54.13 C ATOM 1066 O ASP A 72 16.325 26.913 5.214 1.00 35.51 O ATOM 1067 CB ASP A 72 15.132 28.288 7.970 1.00 44.43 C ATOM 1068 CG ASP A 72 16.553 27.846 8.261 1.00 50.20 C ATOM 1069 OD1 ASP A 72 17.452 28.713 8.282 1.00 62.24 O ATOM 1070 OD2 ASP A 72 16.765 26.634 8.469 1.00 24.52 O ATOM 0 H ASP A 72 12.804 28.276 7.054 1.00 53.53 H new ATOM 0 HA ASP A 72 15.363 29.111 5.999 1.00 71.50 H new ATOM 0 HB2 ASP A 72 14.975 29.287 8.376 1.00 44.43 H new ATOM 0 HB3 ASP A 72 14.436 27.623 8.481 1.00 44.43 H new ATOM 1075 N MET A 73 14.458 25.941 6.011 1.00 62.23 N ATOM 1076 CA MET A 73 14.773 24.629 5.456 1.00 3.23 C ATOM 1077 C MET A 73 15.090 24.730 3.968 1.00 54.05 C ATOM 1078 O MET A 73 15.982 24.047 3.465 1.00 65.35 O ATOM 1079 CB MET A 73 13.607 23.665 5.678 1.00 74.44 C ATOM 1080 CG MET A 73 13.618 23.000 7.045 1.00 41.51 C ATOM 1081 SD MET A 73 14.902 21.744 7.196 1.00 61.44 S ATOM 1082 CE MET A 73 14.227 20.725 8.505 1.00 74.22 C ATOM 0 H MET A 73 13.580 25.981 6.528 1.00 62.23 H new ATOM 0 HA MET A 73 15.654 24.246 5.971 1.00 3.23 H new ATOM 0 HB2 MET A 73 12.670 24.208 5.555 1.00 74.44 H new ATOM 0 HB3 MET A 73 13.633 22.894 4.908 1.00 74.44 H new ATOM 0 HG2 MET A 73 13.766 23.759 7.813 1.00 41.51 H new ATOM 0 HG3 MET A 73 12.646 22.544 7.231 1.00 41.51 H new ATOM 0 HE1 MET A 73 14.893 19.882 8.690 1.00 74.22 H new ATOM 0 HE2 MET A 73 14.131 21.318 9.415 1.00 74.22 H new ATOM 0 HE3 MET A 73 13.246 20.355 8.208 1.00 74.22 H new ATOM 1092 N LEU A 74 14.353 25.585 3.267 1.00 14.34 N ATOM 1093 CA LEU A 74 14.555 25.775 1.835 1.00 14.32 C ATOM 1094 C LEU A 74 15.964 26.283 1.547 1.00 72.24 C ATOM 1095 O LEU A 74 16.557 25.948 0.521 1.00 21.32 O ATOM 1096 CB LEU A 74 13.522 26.759 1.281 1.00 65.34 C ATOM 1097 CG LEU A 74 13.665 27.118 -0.199 1.00 1.22 C ATOM 1098 CD1 LEU A 74 12.764 26.239 -1.051 1.00 74.22 C ATOM 1099 CD2 LEU A 74 13.346 28.589 -0.423 1.00 74.04 C ATOM 0 H LEU A 74 13.610 26.158 3.667 1.00 14.34 H new ATOM 0 HA LEU A 74 14.429 24.810 1.343 1.00 14.32 H new ATOM 0 HB2 LEU A 74 12.529 26.339 1.438 1.00 65.34 H new ATOM 0 HB3 LEU A 74 13.576 27.678 1.864 1.00 65.34 H new ATOM 0 HG LEU A 74 14.698 26.941 -0.499 1.00 1.22 H new ATOM 0 HD11 LEU A 74 12.879 26.509 -2.101 1.00 74.22 H new ATOM 0 HD12 LEU A 74 13.040 25.193 -0.913 1.00 74.22 H new ATOM 0 HD13 LEU A 74 11.726 26.383 -0.751 1.00 74.22 H new ATOM 0 HD21 LEU A 74 13.453 28.827 -1.481 1.00 74.04 H new ATOM 0 HD22 LEU A 74 12.323 28.792 -0.107 1.00 74.04 H new ATOM 0 HD23 LEU A 74 14.034 29.203 0.158 1.00 74.04 H new ATOM 1111 N ASP A 75 16.494 27.091 2.458 1.00 21.41 N ATOM 1112 CA ASP A 75 17.835 27.642 2.303 1.00 23.14 C ATOM 1113 C ASP A 75 18.891 26.549 2.435 1.00 31.53 C ATOM 1114 O ASP A 75 19.995 26.669 1.902 1.00 31.13 O ATOM 1115 CB ASP A 75 18.083 28.736 3.343 1.00 23.44 C ATOM 1116 CG ASP A 75 18.372 30.082 2.710 1.00 51.32 C ATOM 1117 OD1 ASP A 75 17.445 30.666 2.110 1.00 63.01 O ATOM 1118 OD2 ASP A 75 19.525 30.552 2.813 1.00 55.30 O ATOM 0 H ASP A 75 16.016 27.379 3.312 1.00 21.41 H new ATOM 0 HA ASP A 75 17.910 28.075 1.306 1.00 23.14 H new ATOM 0 HB2 ASP A 75 17.210 28.822 3.990 1.00 23.44 H new ATOM 0 HB3 ASP A 75 18.922 28.448 3.976 1.00 23.44 H new ATOM 1123 N LEU A 76 18.545 25.483 3.149 1.00 22.20 N ATOM 1124 CA LEU A 76 19.463 24.367 3.352 1.00 3.53 C ATOM 1125 C LEU A 76 19.336 23.346 2.227 1.00 23.41 C ATOM 1126 O LEU A 76 20.272 22.598 1.946 1.00 63.12 O ATOM 1127 CB LEU A 76 19.191 23.696 4.700 1.00 51.15 C ATOM 1128 CG LEU A 76 19.893 24.312 5.910 1.00 31.24 C ATOM 1129 CD1 LEU A 76 19.451 25.754 6.108 1.00 62.45 C ATOM 1130 CD2 LEU A 76 19.616 23.491 7.162 1.00 52.33 C ATOM 0 H LEU A 76 17.636 25.368 3.597 1.00 22.20 H new ATOM 0 HA LEU A 76 20.480 24.759 3.348 1.00 3.53 H new ATOM 0 HB2 LEU A 76 18.116 23.713 4.881 1.00 51.15 H new ATOM 0 HB3 LEU A 76 19.486 22.649 4.628 1.00 51.15 H new ATOM 0 HG LEU A 76 20.967 24.305 5.725 1.00 31.24 H new ATOM 0 HD11 LEU A 76 19.961 26.175 6.974 1.00 62.45 H new ATOM 0 HD12 LEU A 76 19.701 26.336 5.221 1.00 62.45 H new ATOM 0 HD13 LEU A 76 18.374 25.785 6.271 1.00 62.45 H new ATOM 0 HD21 LEU A 76 20.123 23.944 8.014 1.00 52.33 H new ATOM 0 HD22 LEU A 76 18.543 23.466 7.350 1.00 52.33 H new ATOM 0 HD23 LEU A 76 19.983 22.475 7.019 1.00 52.33 H new ATOM 1142 N ALA A 77 18.173 23.321 1.586 1.00 53.15 N ATOM 1143 CA ALA A 77 17.925 22.394 0.488 1.00 12.41 C ATOM 1144 C ALA A 77 18.883 22.647 -0.671 1.00 1.11 C ATOM 1145 O ALA A 77 18.631 23.499 -1.523 1.00 44.12 O ATOM 1146 CB ALA A 77 16.482 22.508 0.017 1.00 24.22 C ATOM 0 H ALA A 77 17.387 23.932 1.808 1.00 53.15 H new ATOM 0 HA ALA A 77 18.098 21.382 0.854 1.00 12.41 H new ATOM 0 HB1 ALA A 77 16.311 21.811 -0.803 1.00 24.22 H new ATOM 0 HB2 ALA A 77 15.810 22.270 0.842 1.00 24.22 H new ATOM 0 HB3 ALA A 77 16.290 23.525 -0.326 1.00 24.22 H new ATOM 1152 N PHE A 78 19.983 21.902 -0.696 1.00 61.12 N ATOM 1153 CA PHE A 78 20.980 22.047 -1.750 1.00 64.42 C ATOM 1154 C PHE A 78 21.094 20.765 -2.571 1.00 3.31 C ATOM 1155 O PHE A 78 21.301 19.682 -2.026 1.00 14.05 O ATOM 1156 CB PHE A 78 22.341 22.403 -1.148 1.00 64.24 C ATOM 1157 CG PHE A 78 23.315 22.953 -2.151 1.00 71.32 C ATOM 1158 CD1 PHE A 78 24.062 22.102 -2.950 1.00 72.10 C ATOM 1159 CD2 PHE A 78 23.484 24.320 -2.295 1.00 15.52 C ATOM 1160 CE1 PHE A 78 24.958 22.605 -3.874 1.00 63.42 C ATOM 1161 CE2 PHE A 78 24.378 24.829 -3.217 1.00 61.14 C ATOM 1162 CZ PHE A 78 25.117 23.970 -4.007 1.00 43.12 C ATOM 0 H PHE A 78 20.206 21.192 0.001 1.00 61.12 H new ATOM 0 HA PHE A 78 20.660 22.853 -2.410 1.00 64.42 H new ATOM 0 HB2 PHE A 78 22.198 23.135 -0.353 1.00 64.24 H new ATOM 0 HB3 PHE A 78 22.770 21.513 -0.688 1.00 64.24 H new ATOM 0 HD1 PHE A 78 23.942 21.033 -2.849 1.00 72.10 H new ATOM 0 HD2 PHE A 78 22.910 24.996 -1.679 1.00 15.52 H new ATOM 0 HE1 PHE A 78 25.533 21.931 -4.491 1.00 63.42 H new ATOM 0 HE2 PHE A 78 24.499 25.897 -3.320 1.00 61.14 H new ATOM 0 HZ PHE A 78 25.818 24.365 -4.727 1.00 43.12 H new ATOM 1172 N GLY A 79 20.957 20.898 -3.887 1.00 4.21 N ATOM 1173 CA GLY A 79 21.047 19.744 -4.762 1.00 51.22 C ATOM 1174 C GLY A 79 19.693 19.124 -5.044 1.00 71.21 C ATOM 1175 O GLY A 79 19.518 18.424 -6.042 1.00 70.25 O ATOM 0 H GLY A 79 20.785 21.784 -4.362 1.00 4.21 H new ATOM 0 HA2 GLY A 79 21.511 20.040 -5.703 1.00 51.22 H new ATOM 0 HA3 GLY A 79 21.698 18.997 -4.307 1.00 51.22 H new ATOM 1179 N LEU A 80 18.732 19.379 -4.163 1.00 23.54 N ATOM 1180 CA LEU A 80 17.386 18.839 -4.320 1.00 63.44 C ATOM 1181 C LEU A 80 16.653 19.531 -5.465 1.00 34.44 C ATOM 1182 O LEU A 80 17.031 20.623 -5.890 1.00 23.41 O ATOM 1183 CB LEU A 80 16.595 18.999 -3.021 1.00 4.51 C ATOM 1184 CG LEU A 80 15.480 17.981 -2.784 1.00 14.22 C ATOM 1185 CD1 LEU A 80 16.064 16.622 -2.433 1.00 35.44 C ATOM 1186 CD2 LEU A 80 14.544 18.462 -1.684 1.00 72.13 C ATOM 0 H LEU A 80 18.860 19.957 -3.332 1.00 23.54 H new ATOM 0 HA LEU A 80 17.472 17.778 -4.556 1.00 63.44 H new ATOM 0 HB2 LEU A 80 17.293 18.945 -2.185 1.00 4.51 H new ATOM 0 HB3 LEU A 80 16.157 19.997 -3.006 1.00 4.51 H new ATOM 0 HG LEU A 80 14.905 17.879 -3.704 1.00 14.22 H new ATOM 0 HD11 LEU A 80 15.255 15.910 -2.268 1.00 35.44 H new ATOM 0 HD12 LEU A 80 16.692 16.273 -3.253 1.00 35.44 H new ATOM 0 HD13 LEU A 80 16.664 16.707 -1.527 1.00 35.44 H new ATOM 0 HD21 LEU A 80 13.756 17.725 -1.529 1.00 72.13 H new ATOM 0 HD22 LEU A 80 15.106 18.593 -0.759 1.00 72.13 H new ATOM 0 HD23 LEU A 80 14.099 19.413 -1.975 1.00 72.13 H new ATOM 1198 N THR A 81 15.598 18.889 -5.959 1.00 22.01 N ATOM 1199 CA THR A 81 14.810 19.443 -7.053 1.00 23.42 C ATOM 1200 C THR A 81 13.761 20.420 -6.535 1.00 70.40 C ATOM 1201 O THR A 81 13.400 20.391 -5.358 1.00 55.25 O ATOM 1202 CB THR A 81 14.109 18.332 -7.858 1.00 12.42 C ATOM 1203 OG1 THR A 81 13.542 17.365 -6.967 1.00 55.31 O ATOM 1204 CG2 THR A 81 15.086 17.648 -8.802 1.00 3.25 C ATOM 0 H THR A 81 15.270 17.985 -5.618 1.00 22.01 H new ATOM 0 HA THR A 81 15.503 19.973 -7.706 1.00 23.42 H new ATOM 0 HB THR A 81 13.316 18.789 -8.450 1.00 12.42 H new ATOM 0 HG1 THR A 81 12.940 16.774 -7.466 1.00 55.31 H new ATOM 0 HG21 THR A 81 14.568 16.868 -9.359 1.00 3.25 H new ATOM 0 HG22 THR A 81 15.493 18.381 -9.498 1.00 3.25 H new ATOM 0 HG23 THR A 81 15.898 17.204 -8.226 1.00 3.25 H new ATOM 1212 N ASP A 82 13.275 21.282 -7.420 1.00 51.44 N ATOM 1213 CA ASP A 82 12.265 22.268 -7.053 1.00 33.22 C ATOM 1214 C ASP A 82 10.896 21.612 -6.900 1.00 71.31 C ATOM 1215 O ASP A 82 9.933 22.250 -6.474 1.00 11.13 O ATOM 1216 CB ASP A 82 12.198 23.377 -8.103 1.00 51.43 C ATOM 1217 CG ASP A 82 13.561 23.961 -8.416 1.00 45.40 C ATOM 1218 OD1 ASP A 82 14.371 23.265 -9.063 1.00 33.51 O ATOM 1219 OD2 ASP A 82 13.820 25.115 -8.013 1.00 52.22 O ATOM 0 H ASP A 82 13.564 21.318 -8.398 1.00 51.44 H new ATOM 0 HA ASP A 82 12.549 22.703 -6.095 1.00 33.22 H new ATOM 0 HB2 ASP A 82 11.757 22.981 -9.018 1.00 51.43 H new ATOM 0 HB3 ASP A 82 11.539 24.170 -7.749 1.00 51.43 H new ATOM 1224 N THR A 83 10.816 20.332 -7.252 1.00 52.22 N ATOM 1225 CA THR A 83 9.565 19.590 -7.157 1.00 2.13 C ATOM 1226 C THR A 83 9.471 18.840 -5.833 1.00 71.41 C ATOM 1227 O THR A 83 8.381 18.473 -5.393 1.00 4.44 O ATOM 1228 CB THR A 83 9.418 18.585 -8.315 1.00 43.40 C ATOM 1229 OG1 THR A 83 10.139 17.385 -8.016 1.00 60.44 O ATOM 1230 CG2 THR A 83 9.933 19.181 -9.617 1.00 13.33 C ATOM 0 H THR A 83 11.603 19.788 -7.605 1.00 52.22 H new ATOM 0 HA THR A 83 8.758 20.321 -7.216 1.00 2.13 H new ATOM 0 HB THR A 83 8.360 18.353 -8.434 1.00 43.40 H new ATOM 0 HG1 THR A 83 10.039 16.750 -8.756 1.00 60.44 H new ATOM 0 HG21 THR A 83 9.819 18.453 -10.420 1.00 13.33 H new ATOM 0 HG22 THR A 83 9.363 20.079 -9.857 1.00 13.33 H new ATOM 0 HG23 THR A 83 10.986 19.439 -9.508 1.00 13.33 H new ATOM 1238 N SER A 84 10.619 18.614 -5.203 1.00 2.32 N ATOM 1239 CA SER A 84 10.666 17.904 -3.930 1.00 11.31 C ATOM 1240 C SER A 84 10.776 18.884 -2.765 1.00 64.43 C ATOM 1241 O SER A 84 11.634 19.767 -2.762 1.00 23.42 O ATOM 1242 CB SER A 84 11.847 16.932 -3.907 1.00 51.03 C ATOM 1243 OG SER A 84 11.835 16.142 -2.731 1.00 10.54 O ATOM 0 H SER A 84 11.529 18.912 -5.553 1.00 2.32 H new ATOM 0 HA SER A 84 9.739 17.341 -3.822 1.00 11.31 H new ATOM 0 HB2 SER A 84 11.807 16.285 -4.784 1.00 51.03 H new ATOM 0 HB3 SER A 84 12.782 17.489 -3.965 1.00 51.03 H new ATOM 0 HG SER A 84 11.030 15.583 -2.721 1.00 10.54 H new ATOM 1249 N ARG A 85 9.902 18.720 -1.778 1.00 53.31 N ATOM 1250 CA ARG A 85 9.899 19.590 -0.608 1.00 22.10 C ATOM 1251 C ARG A 85 10.421 18.850 0.620 1.00 34.04 C ATOM 1252 O ARG A 85 10.070 17.693 0.857 1.00 65.14 O ATOM 1253 CB ARG A 85 8.488 20.115 -0.339 1.00 74.23 C ATOM 1254 CG ARG A 85 8.188 21.436 -1.028 1.00 53.02 C ATOM 1255 CD ARG A 85 6.723 21.818 -0.886 1.00 53.34 C ATOM 1256 NE ARG A 85 6.333 21.984 0.511 1.00 21.13 N ATOM 1257 CZ ARG A 85 6.690 23.025 1.255 1.00 30.24 C ATOM 1258 NH1 ARG A 85 7.440 23.988 0.738 1.00 63.31 N ATOM 1259 NH2 ARG A 85 6.296 23.104 2.520 1.00 53.32 N ATOM 0 H ARG A 85 9.187 17.993 -1.765 1.00 53.31 H new ATOM 0 HA ARG A 85 10.559 20.433 -0.811 1.00 22.10 H new ATOM 0 HB2 ARG A 85 7.763 19.370 -0.669 1.00 74.23 H new ATOM 0 HB3 ARG A 85 8.354 20.237 0.736 1.00 74.23 H new ATOM 0 HG2 ARG A 85 8.813 22.220 -0.601 1.00 53.02 H new ATOM 0 HG3 ARG A 85 8.445 21.363 -2.085 1.00 53.02 H new ATOM 0 HD2 ARG A 85 6.536 22.746 -1.427 1.00 53.34 H new ATOM 0 HD3 ARG A 85 6.102 21.050 -1.347 1.00 53.34 H new ATOM 0 HE ARG A 85 5.755 21.261 0.939 1.00 21.13 H new ATOM 0 HH11 ARG A 85 7.745 23.931 -0.234 1.00 63.31 H new ATOM 0 HH12 ARG A 85 7.712 24.786 1.312 1.00 63.31 H new ATOM 0 HH21 ARG A 85 5.719 22.365 2.921 1.00 53.32 H new ATOM 0 HH22 ARG A 85 6.571 23.904 3.091 1.00 53.32 H new ATOM 1273 N LEU A 86 11.259 19.524 1.399 1.00 44.51 N ATOM 1274 CA LEU A 86 11.830 18.931 2.603 1.00 1.44 C ATOM 1275 C LEU A 86 12.436 17.564 2.302 1.00 5.45 C ATOM 1276 O LEU A 86 12.472 16.686 3.164 1.00 53.55 O ATOM 1277 CB LEU A 86 10.759 18.799 3.687 1.00 0.44 C ATOM 1278 CG LEU A 86 11.171 19.233 5.095 1.00 62.04 C ATOM 1279 CD1 LEU A 86 12.419 18.485 5.540 1.00 55.34 C ATOM 1280 CD2 LEU A 86 11.402 20.736 5.143 1.00 4.22 C ATOM 0 H LEU A 86 11.558 20.482 1.218 1.00 44.51 H new ATOM 0 HA LEU A 86 12.622 19.588 2.961 1.00 1.44 H new ATOM 0 HB2 LEU A 86 9.892 19.387 3.386 1.00 0.44 H new ATOM 0 HB3 LEU A 86 10.439 17.758 3.729 1.00 0.44 H new ATOM 0 HG LEU A 86 10.361 18.988 5.782 1.00 62.04 H new ATOM 0 HD11 LEU A 86 12.697 18.806 6.544 1.00 55.34 H new ATOM 0 HD12 LEU A 86 12.219 17.414 5.545 1.00 55.34 H new ATOM 0 HD13 LEU A 86 13.236 18.698 4.851 1.00 55.34 H new ATOM 0 HD21 LEU A 86 11.694 21.027 6.152 1.00 4.22 H new ATOM 0 HD22 LEU A 86 12.194 21.005 4.444 1.00 4.22 H new ATOM 0 HD23 LEU A 86 10.483 21.254 4.868 1.00 4.22 H new ATOM 1292 N GLY A 87 12.915 17.392 1.074 1.00 42.30 N ATOM 1293 CA GLY A 87 13.516 16.131 0.682 1.00 71.21 C ATOM 1294 C GLY A 87 15.028 16.207 0.607 1.00 51.00 C ATOM 1295 O GLY A 87 15.615 17.265 0.836 1.00 11.31 O ATOM 0 H GLY A 87 12.898 18.104 0.344 1.00 42.30 H new ATOM 0 HA2 GLY A 87 13.229 15.358 1.395 1.00 71.21 H new ATOM 0 HA3 GLY A 87 13.122 15.831 -0.289 1.00 71.21 H new ATOM 1299 N CYS A 88 15.660 15.083 0.287 1.00 1.43 N ATOM 1300 CA CYS A 88 17.114 15.027 0.185 1.00 21.54 C ATOM 1301 C CYS A 88 17.542 14.258 -1.060 1.00 61.15 C ATOM 1302 O CYS A 88 18.464 14.666 -1.766 1.00 23.20 O ATOM 1303 CB CYS A 88 17.708 14.371 1.433 1.00 42.20 C ATOM 1304 SG CYS A 88 16.895 12.830 1.916 1.00 52.22 S ATOM 0 H CYS A 88 15.189 14.199 0.094 1.00 1.43 H new ATOM 0 HA CYS A 88 17.488 16.048 0.106 1.00 21.54 H new ATOM 0 HB2 CYS A 88 18.765 14.172 1.257 1.00 42.20 H new ATOM 0 HB3 CYS A 88 17.650 15.075 2.263 1.00 42.20 H new ATOM 0 HG CYS A 88 17.469 12.351 2.979 1.00 52.22 H new ATOM 1310 N GLN A 89 16.867 13.144 -1.323 1.00 70.41 N ATOM 1311 CA GLN A 89 17.180 12.317 -2.483 1.00 33.23 C ATOM 1312 C GLN A 89 15.953 12.138 -3.370 1.00 75.43 C ATOM 1313 O GLN A 89 15.903 11.230 -4.201 1.00 35.44 O ATOM 1314 CB GLN A 89 17.704 10.951 -2.035 1.00 41.35 C ATOM 1315 CG GLN A 89 18.667 10.315 -3.025 1.00 54.24 C ATOM 1316 CD GLN A 89 18.848 8.829 -2.790 1.00 71.41 C ATOM 1317 OE1 GLN A 89 19.952 8.364 -2.504 1.00 73.45 O ATOM 1318 NE2 GLN A 89 17.762 8.073 -2.909 1.00 1.50 N ATOM 0 H GLN A 89 16.100 12.793 -0.749 1.00 70.41 H new ATOM 0 HA GLN A 89 17.953 12.823 -3.061 1.00 33.23 H new ATOM 0 HB2 GLN A 89 18.205 11.061 -1.073 1.00 41.35 H new ATOM 0 HB3 GLN A 89 16.859 10.280 -1.880 1.00 41.35 H new ATOM 0 HG2 GLN A 89 18.300 10.477 -4.038 1.00 54.24 H new ATOM 0 HG3 GLN A 89 19.635 10.811 -2.954 1.00 54.24 H new ATOM 0 HE21 GLN A 89 16.867 8.500 -3.148 1.00 1.50 H new ATOM 0 HE22 GLN A 89 17.823 7.066 -2.762 1.00 1.50 H new ATOM 1327 N ILE A 90 14.965 13.008 -3.189 1.00 42.22 N ATOM 1328 CA ILE A 90 13.739 12.946 -3.974 1.00 73.23 C ATOM 1329 C ILE A 90 13.183 11.526 -4.014 1.00 0.30 C ATOM 1330 O ILE A 90 13.478 10.759 -4.931 1.00 13.10 O ATOM 1331 CB ILE A 90 13.968 13.436 -5.416 1.00 71.13 C ATOM 1332 CG1 ILE A 90 15.203 14.337 -5.482 1.00 15.23 C ATOM 1333 CG2 ILE A 90 12.739 14.174 -5.926 1.00 61.35 C ATOM 1334 CD1 ILE A 90 15.457 14.915 -6.856 1.00 72.14 C ATOM 0 H ILE A 90 14.990 13.764 -2.505 1.00 42.22 H new ATOM 0 HA ILE A 90 13.019 13.603 -3.486 1.00 73.23 H new ATOM 0 HB ILE A 90 14.139 12.570 -6.055 1.00 71.13 H new ATOM 0 HG12 ILE A 90 15.085 15.153 -4.769 1.00 15.23 H new ATOM 0 HG13 ILE A 90 16.077 13.765 -5.170 1.00 15.23 H new ATOM 0 HG21 ILE A 90 12.916 14.514 -6.946 1.00 61.35 H new ATOM 0 HG22 ILE A 90 11.880 13.504 -5.911 1.00 61.35 H new ATOM 0 HG23 ILE A 90 12.539 15.034 -5.286 1.00 61.35 H new ATOM 0 HD11 ILE A 90 16.348 15.543 -6.828 1.00 72.14 H new ATOM 0 HD12 ILE A 90 15.607 14.105 -7.570 1.00 72.14 H new ATOM 0 HD13 ILE A 90 14.600 15.515 -7.163 1.00 72.14 H new ATOM 1346 N ILE A 91 12.377 11.184 -3.015 1.00 13.42 N ATOM 1347 CA ILE A 91 11.777 9.858 -2.937 1.00 41.13 C ATOM 1348 C ILE A 91 10.255 9.943 -2.916 1.00 12.31 C ATOM 1349 O ILE A 91 9.667 10.512 -1.995 1.00 54.21 O ATOM 1350 CB ILE A 91 12.255 9.096 -1.687 1.00 1.41 C ATOM 1351 CG1 ILE A 91 12.230 10.014 -0.463 1.00 53.41 C ATOM 1352 CG2 ILE A 91 13.653 8.539 -1.909 1.00 21.24 C ATOM 1353 CD1 ILE A 91 12.647 9.326 0.818 1.00 73.25 C ATOM 0 H ILE A 91 12.124 11.807 -2.248 1.00 13.42 H new ATOM 0 HA ILE A 91 12.096 9.315 -3.827 1.00 41.13 H new ATOM 0 HB ILE A 91 11.577 8.262 -1.506 1.00 1.41 H new ATOM 0 HG12 ILE A 91 12.891 10.862 -0.642 1.00 53.41 H new ATOM 0 HG13 ILE A 91 11.224 10.414 -0.340 1.00 53.41 H new ATOM 0 HG21 ILE A 91 13.977 8.003 -1.017 1.00 21.24 H new ATOM 0 HG22 ILE A 91 13.642 7.856 -2.758 1.00 21.24 H new ATOM 0 HG23 ILE A 91 14.343 9.358 -2.111 1.00 21.24 H new ATOM 0 HD11 ILE A 91 12.605 10.037 1.643 1.00 73.25 H new ATOM 0 HD12 ILE A 91 11.972 8.495 1.021 1.00 73.25 H new ATOM 0 HD13 ILE A 91 13.665 8.950 0.714 1.00 73.25 H new ATOM 1365 N LEU A 92 9.622 9.373 -3.935 1.00 15.01 N ATOM 1366 CA LEU A 92 8.166 9.382 -4.033 1.00 40.30 C ATOM 1367 C LEU A 92 7.529 8.914 -2.729 1.00 23.25 C ATOM 1368 O LEU A 92 8.207 8.378 -1.851 1.00 1.22 O ATOM 1369 CB LEU A 92 7.707 8.489 -5.187 1.00 43.42 C ATOM 1370 CG LEU A 92 7.837 6.982 -4.963 1.00 1.55 C ATOM 1371 CD1 LEU A 92 6.464 6.332 -4.899 1.00 31.00 C ATOM 1372 CD2 LEU A 92 8.679 6.350 -6.061 1.00 74.14 C ATOM 0 H LEU A 92 10.094 8.899 -4.705 1.00 15.01 H new ATOM 0 HA LEU A 92 7.846 10.406 -4.225 1.00 40.30 H new ATOM 0 HB2 LEU A 92 6.663 8.715 -5.402 1.00 43.42 H new ATOM 0 HB3 LEU A 92 8.280 8.755 -6.075 1.00 43.42 H new ATOM 0 HG LEU A 92 8.339 6.817 -4.009 1.00 1.55 H new ATOM 0 HD11 LEU A 92 6.576 5.260 -4.739 1.00 31.00 H new ATOM 0 HD12 LEU A 92 5.895 6.764 -4.076 1.00 31.00 H new ATOM 0 HD13 LEU A 92 5.935 6.506 -5.836 1.00 31.00 H new ATOM 0 HD21 LEU A 92 8.761 5.277 -5.885 1.00 74.14 H new ATOM 0 HD22 LEU A 92 8.207 6.524 -7.028 1.00 74.14 H new ATOM 0 HD23 LEU A 92 9.674 6.795 -6.058 1.00 74.14 H new ATOM 1384 N THR A 93 6.221 9.117 -2.608 1.00 0.11 N ATOM 1385 CA THR A 93 5.492 8.715 -1.412 1.00 21.03 C ATOM 1386 C THR A 93 4.114 8.168 -1.765 1.00 52.45 C ATOM 1387 O THR A 93 3.650 8.310 -2.897 1.00 71.42 O ATOM 1388 CB THR A 93 5.329 9.892 -0.431 1.00 61.40 C ATOM 1389 OG1 THR A 93 3.940 10.179 -0.238 1.00 13.42 O ATOM 1390 CG2 THR A 93 6.042 11.131 -0.950 1.00 54.41 C ATOM 0 H THR A 93 5.644 9.558 -3.325 1.00 0.11 H new ATOM 0 HA THR A 93 6.079 7.931 -0.933 1.00 21.03 H new ATOM 0 HB THR A 93 5.776 9.608 0.522 1.00 61.40 H new ATOM 0 HG1 THR A 93 3.753 10.260 0.721 1.00 13.42 H new ATOM 0 HG21 THR A 93 5.913 11.949 -0.241 1.00 54.41 H new ATOM 0 HG22 THR A 93 7.104 10.917 -1.068 1.00 54.41 H new ATOM 0 HG23 THR A 93 5.620 11.417 -1.914 1.00 54.41 H new ATOM 1398 N LYS A 94 3.462 7.544 -0.790 1.00 51.05 N ATOM 1399 CA LYS A 94 2.135 6.977 -0.997 1.00 54.25 C ATOM 1400 C LYS A 94 1.083 8.078 -1.103 1.00 25.42 C ATOM 1401 O LYS A 94 -0.010 7.856 -1.621 1.00 70.54 O ATOM 1402 CB LYS A 94 1.779 6.026 0.147 1.00 24.05 C ATOM 1403 CG LYS A 94 0.287 5.914 0.404 1.00 34.32 C ATOM 1404 CD LYS A 94 -0.041 4.709 1.270 1.00 73.44 C ATOM 1405 CE LYS A 94 -0.623 3.571 0.444 1.00 45.11 C ATOM 1406 NZ LYS A 94 -2.050 3.315 0.780 1.00 34.23 N ATOM 0 H LYS A 94 3.832 7.418 0.152 1.00 51.05 H new ATOM 0 HA LYS A 94 2.148 6.419 -1.933 1.00 54.25 H new ATOM 0 HB2 LYS A 94 2.175 5.036 -0.078 1.00 24.05 H new ATOM 0 HB3 LYS A 94 2.271 6.367 1.058 1.00 24.05 H new ATOM 0 HG2 LYS A 94 -0.068 6.822 0.892 1.00 34.32 H new ATOM 0 HG3 LYS A 94 -0.242 5.835 -0.546 1.00 34.32 H new ATOM 0 HD2 LYS A 94 0.861 4.367 1.777 1.00 73.44 H new ATOM 0 HD3 LYS A 94 -0.752 4.999 2.044 1.00 73.44 H new ATOM 0 HE2 LYS A 94 -0.537 3.811 -0.616 1.00 45.11 H new ATOM 0 HE3 LYS A 94 -0.042 2.665 0.614 1.00 45.11 H new ATOM 0 HZ1 LYS A 94 -2.409 2.533 0.196 1.00 34.23 H new ATOM 0 HZ2 LYS A 94 -2.130 3.061 1.785 1.00 34.23 H new ATOM 0 HZ3 LYS A 94 -2.610 4.172 0.594 1.00 34.23 H new ATOM 1420 N GLU A 95 1.424 9.264 -0.609 1.00 34.03 N ATOM 1421 CA GLU A 95 0.508 10.398 -0.649 1.00 1.33 C ATOM 1422 C GLU A 95 0.049 10.677 -2.077 1.00 71.30 C ATOM 1423 O GLU A 95 -1.009 11.268 -2.297 1.00 71.01 O ATOM 1424 CB GLU A 95 1.178 11.644 -0.065 1.00 22.22 C ATOM 1425 CG GLU A 95 1.340 11.597 1.445 1.00 34.23 C ATOM 1426 CD GLU A 95 0.144 12.174 2.178 1.00 2.30 C ATOM 1427 OE1 GLU A 95 -0.484 13.112 1.644 1.00 45.22 O ATOM 1428 OE2 GLU A 95 -0.163 11.687 3.286 1.00 14.43 O ATOM 0 H GLU A 95 2.326 9.464 -0.177 1.00 34.03 H new ATOM 0 HA GLU A 95 -0.366 10.148 -0.047 1.00 1.33 H new ATOM 0 HB2 GLU A 95 2.159 11.767 -0.524 1.00 22.22 H new ATOM 0 HB3 GLU A 95 0.589 12.522 -0.332 1.00 22.22 H new ATOM 0 HG2 GLU A 95 1.490 10.564 1.759 1.00 34.23 H new ATOM 0 HG3 GLU A 95 2.236 12.149 1.728 1.00 34.23 H new ATOM 1435 N LEU A 96 0.852 10.247 -3.044 1.00 53.34 N ATOM 1436 CA LEU A 96 0.529 10.450 -4.453 1.00 2.04 C ATOM 1437 C LEU A 96 -0.209 9.242 -5.022 1.00 4.43 C ATOM 1438 O LEU A 96 -0.263 9.052 -6.237 1.00 33.23 O ATOM 1439 CB LEU A 96 1.805 10.708 -5.256 1.00 60.33 C ATOM 1440 CG LEU A 96 2.759 11.756 -4.683 1.00 50.42 C ATOM 1441 CD1 LEU A 96 3.747 11.111 -3.724 1.00 2.51 C ATOM 1442 CD2 LEU A 96 3.494 12.478 -5.804 1.00 33.15 C ATOM 0 H LEU A 96 1.731 9.756 -2.879 1.00 53.34 H new ATOM 0 HA LEU A 96 -0.123 11.320 -4.530 1.00 2.04 H new ATOM 0 HB2 LEU A 96 2.346 9.767 -5.352 1.00 60.33 H new ATOM 0 HB3 LEU A 96 1.521 11.016 -6.262 1.00 60.33 H new ATOM 0 HG LEU A 96 2.173 12.489 -4.129 1.00 50.42 H new ATOM 0 HD11 LEU A 96 4.418 11.872 -3.326 1.00 2.51 H new ATOM 0 HD12 LEU A 96 3.204 10.641 -2.904 1.00 2.51 H new ATOM 0 HD13 LEU A 96 4.328 10.356 -4.254 1.00 2.51 H new ATOM 0 HD21 LEU A 96 4.169 13.220 -5.378 1.00 33.15 H new ATOM 0 HD22 LEU A 96 4.069 11.757 -6.386 1.00 33.15 H new ATOM 0 HD23 LEU A 96 2.772 12.974 -6.452 1.00 33.15 H new ATOM 1454 N ASP A 97 -0.776 8.431 -4.136 1.00 12.31 N ATOM 1455 CA ASP A 97 -1.514 7.244 -4.550 1.00 32.52 C ATOM 1456 C ASP A 97 -2.664 7.615 -5.481 1.00 41.21 C ATOM 1457 O ASP A 97 -3.621 8.271 -5.071 1.00 60.45 O ATOM 1458 CB ASP A 97 -2.052 6.499 -3.327 1.00 14.43 C ATOM 1459 CG ASP A 97 -3.000 7.349 -2.503 1.00 75.22 C ATOM 1460 OD1 ASP A 97 -2.587 8.442 -2.062 1.00 33.32 O ATOM 1461 OD2 ASP A 97 -4.156 6.921 -2.301 1.00 1.01 O ATOM 0 H ASP A 97 -0.739 8.574 -3.127 1.00 12.31 H new ATOM 0 HA ASP A 97 -0.829 6.592 -5.091 1.00 32.52 H new ATOM 0 HB2 ASP A 97 -2.568 5.596 -3.653 1.00 14.43 H new ATOM 0 HB3 ASP A 97 -1.217 6.181 -2.702 1.00 14.43 H new ATOM 1466 N GLY A 98 -2.562 7.192 -6.738 1.00 4.34 N ATOM 1467 CA GLY A 98 -3.599 7.491 -7.708 1.00 3.33 C ATOM 1468 C GLY A 98 -3.427 8.859 -8.337 1.00 42.51 C ATOM 1469 O GLY A 98 -4.310 9.339 -9.049 1.00 60.15 O ATOM 0 H GLY A 98 -1.780 6.648 -7.101 1.00 4.34 H new ATOM 0 HA2 GLY A 98 -3.591 6.731 -8.490 1.00 3.33 H new ATOM 0 HA3 GLY A 98 -4.573 7.438 -7.222 1.00 3.33 H new ATOM 1473 N LEU A 99 -2.288 9.491 -8.074 1.00 13.24 N ATOM 1474 CA LEU A 99 -2.004 10.814 -8.618 1.00 43.33 C ATOM 1475 C LEU A 99 -0.873 10.751 -9.640 1.00 72.34 C ATOM 1476 O LEU A 99 -0.035 9.850 -9.598 1.00 25.22 O ATOM 1477 CB LEU A 99 -1.635 11.782 -7.493 1.00 10.33 C ATOM 1478 CG LEU A 99 -1.758 13.271 -7.820 1.00 74.23 C ATOM 1479 CD1 LEU A 99 -3.210 13.642 -8.079 1.00 34.14 C ATOM 1480 CD2 LEU A 99 -1.183 14.115 -6.692 1.00 61.42 C ATOM 0 H LEU A 99 -1.546 9.108 -7.487 1.00 13.24 H new ATOM 0 HA LEU A 99 -2.903 11.174 -9.119 1.00 43.33 H new ATOM 0 HB2 LEU A 99 -2.269 11.566 -6.633 1.00 10.33 H new ATOM 0 HB3 LEU A 99 -0.607 11.581 -7.190 1.00 10.33 H new ATOM 0 HG LEU A 99 -1.185 13.473 -8.725 1.00 74.23 H new ATOM 0 HD11 LEU A 99 -3.278 14.705 -8.310 1.00 34.14 H new ATOM 0 HD12 LEU A 99 -3.589 13.063 -8.921 1.00 34.14 H new ATOM 0 HD13 LEU A 99 -3.805 13.425 -7.192 1.00 34.14 H new ATOM 0 HD21 LEU A 99 -1.279 15.171 -6.943 1.00 61.42 H new ATOM 0 HD22 LEU A 99 -1.727 13.910 -5.770 1.00 61.42 H new ATOM 0 HD23 LEU A 99 -0.130 13.869 -6.554 1.00 61.42 H new ATOM 1492 N CYS A 100 -0.856 11.713 -10.556 1.00 21.10 N ATOM 1493 CA CYS A 100 0.173 11.767 -11.589 1.00 11.34 C ATOM 1494 C CYS A 100 1.214 12.833 -11.263 1.00 25.33 C ATOM 1495 O CYS A 100 0.877 13.991 -11.018 1.00 5.23 O ATOM 1496 CB CYS A 100 -0.458 12.054 -12.952 1.00 32.11 C ATOM 1497 SG CYS A 100 -1.855 10.981 -13.359 1.00 32.41 S ATOM 0 H CYS A 100 -1.543 12.466 -10.605 1.00 21.10 H new ATOM 0 HA CYS A 100 0.670 10.797 -11.624 1.00 11.34 H new ATOM 0 HB2 CYS A 100 -0.792 13.091 -12.975 1.00 32.11 H new ATOM 0 HB3 CYS A 100 0.305 11.948 -13.723 1.00 32.11 H new ATOM 0 HG CYS A 100 -2.322 11.302 -14.529 1.00 32.41 H new ATOM 1503 N VAL A 101 2.482 12.432 -11.260 1.00 1.41 N ATOM 1504 CA VAL A 101 3.574 13.352 -10.963 1.00 53.34 C ATOM 1505 C VAL A 101 4.821 13.002 -11.767 1.00 1.12 C ATOM 1506 O VAL A 101 4.900 11.935 -12.376 1.00 31.22 O ATOM 1507 CB VAL A 101 3.923 13.343 -9.463 1.00 43.54 C ATOM 1508 CG1 VAL A 101 2.715 13.746 -8.631 1.00 23.50 C ATOM 1509 CG2 VAL A 101 4.438 11.975 -9.045 1.00 32.52 C ATOM 0 H VAL A 101 2.778 11.477 -11.460 1.00 1.41 H new ATOM 0 HA VAL A 101 3.233 14.349 -11.243 1.00 53.34 H new ATOM 0 HB VAL A 101 4.714 14.072 -9.287 1.00 43.54 H new ATOM 0 HG11 VAL A 101 2.981 13.734 -7.574 1.00 23.50 H new ATOM 0 HG12 VAL A 101 2.397 14.750 -8.914 1.00 23.50 H new ATOM 0 HG13 VAL A 101 1.900 13.044 -8.808 1.00 23.50 H new ATOM 0 HG21 VAL A 101 4.680 11.986 -7.982 1.00 32.52 H new ATOM 0 HG22 VAL A 101 3.671 11.224 -9.235 1.00 32.52 H new ATOM 0 HG23 VAL A 101 5.333 11.732 -9.618 1.00 32.52 H new ATOM 1519 N ILE A 102 5.794 13.907 -11.764 1.00 13.45 N ATOM 1520 CA ILE A 102 7.038 13.693 -12.491 1.00 5.21 C ATOM 1521 C ILE A 102 8.028 12.884 -11.660 1.00 63.42 C ATOM 1522 O ILE A 102 8.239 13.163 -10.479 1.00 71.21 O ATOM 1523 CB ILE A 102 7.693 15.028 -12.892 1.00 3.33 C ATOM 1524 CG1 ILE A 102 6.736 15.852 -13.756 1.00 20.32 C ATOM 1525 CG2 ILE A 102 8.999 14.777 -13.630 1.00 63.05 C ATOM 1526 CD1 ILE A 102 6.303 15.144 -15.021 1.00 3.02 C ATOM 0 H ILE A 102 5.744 14.796 -11.266 1.00 13.45 H new ATOM 0 HA ILE A 102 6.784 13.137 -13.393 1.00 5.21 H new ATOM 0 HB ILE A 102 7.913 15.594 -11.987 1.00 3.33 H new ATOM 0 HG12 ILE A 102 5.853 16.102 -13.168 1.00 20.32 H new ATOM 0 HG13 ILE A 102 7.218 16.793 -14.022 1.00 20.32 H new ATOM 0 HG21 ILE A 102 9.450 15.730 -13.907 1.00 63.05 H new ATOM 0 HG22 ILE A 102 9.682 14.227 -12.983 1.00 63.05 H new ATOM 0 HG23 ILE A 102 8.802 14.194 -14.530 1.00 63.05 H new ATOM 0 HD11 ILE A 102 5.626 15.786 -15.584 1.00 3.02 H new ATOM 0 HD12 ILE A 102 7.179 14.918 -15.629 1.00 3.02 H new ATOM 0 HD13 ILE A 102 5.792 14.217 -14.762 1.00 3.02 H new ATOM 1538 N LEU A 103 8.635 11.880 -12.285 1.00 11.40 N ATOM 1539 CA LEU A 103 9.605 11.030 -11.604 1.00 43.13 C ATOM 1540 C LEU A 103 10.821 11.838 -11.161 1.00 32.00 C ATOM 1541 O LEU A 103 11.166 12.862 -11.752 1.00 34.33 O ATOM 1542 CB LEU A 103 10.045 9.888 -12.522 1.00 51.23 C ATOM 1543 CG LEU A 103 10.854 10.292 -13.755 1.00 72.25 C ATOM 1544 CD1 LEU A 103 11.868 9.214 -14.105 1.00 74.52 C ATOM 1545 CD2 LEU A 103 9.930 10.561 -14.935 1.00 23.34 C ATOM 0 H LEU A 103 8.472 11.635 -13.262 1.00 11.40 H new ATOM 0 HA LEU A 103 9.126 10.613 -10.718 1.00 43.13 H new ATOM 0 HB2 LEU A 103 10.639 9.186 -11.937 1.00 51.23 H new ATOM 0 HB3 LEU A 103 9.156 9.353 -12.855 1.00 51.23 H new ATOM 0 HG LEU A 103 11.395 11.210 -13.526 1.00 72.25 H new ATOM 0 HD11 LEU A 103 12.434 9.519 -14.985 1.00 74.52 H new ATOM 0 HD12 LEU A 103 12.550 9.070 -13.267 1.00 74.52 H new ATOM 0 HD13 LEU A 103 11.348 8.279 -14.314 1.00 74.52 H new ATOM 0 HD21 LEU A 103 10.523 10.847 -15.804 1.00 23.34 H new ATOM 0 HD22 LEU A 103 9.361 9.660 -15.165 1.00 23.34 H new ATOM 0 HD23 LEU A 103 9.243 11.369 -14.682 1.00 23.34 H new ATOM 1557 N PRO A 104 11.488 11.368 -10.097 1.00 23.41 N ATOM 1558 CA PRO A 104 12.678 12.030 -9.552 1.00 74.55 C ATOM 1559 C PRO A 104 13.881 11.915 -10.481 1.00 63.34 C ATOM 1560 O PRO A 104 14.553 12.906 -10.771 1.00 32.31 O ATOM 1561 CB PRO A 104 12.936 11.275 -8.246 1.00 5.21 C ATOM 1562 CG PRO A 104 12.328 9.932 -8.457 1.00 60.11 C ATOM 1563 CD PRO A 104 11.134 10.153 -9.344 1.00 32.03 C ATOM 0 HA PRO A 104 12.524 13.101 -9.418 1.00 74.55 H new ATOM 0 HB2 PRO A 104 14.003 11.198 -8.038 1.00 5.21 H new ATOM 0 HB3 PRO A 104 12.482 11.786 -7.397 1.00 5.21 H new ATOM 0 HG2 PRO A 104 13.040 9.250 -8.923 1.00 60.11 H new ATOM 0 HG3 PRO A 104 12.032 9.484 -7.508 1.00 60.11 H new ATOM 0 HD2 PRO A 104 10.964 9.305 -10.007 1.00 32.03 H new ATOM 0 HD3 PRO A 104 10.222 10.292 -8.763 1.00 32.03 H new ATOM 1571 N THR A 105 14.150 10.699 -10.947 1.00 71.32 N ATOM 1572 CA THR A 105 15.273 10.454 -11.843 1.00 2.30 C ATOM 1573 C THR A 105 14.904 10.771 -13.288 1.00 15.15 C ATOM 1574 O THR A 105 13.826 11.300 -13.560 1.00 24.21 O ATOM 1575 CB THR A 105 15.753 8.993 -11.756 1.00 41.24 C ATOM 1576 OG1 THR A 105 14.773 8.121 -12.329 1.00 72.24 O ATOM 1577 CG2 THR A 105 16.013 8.593 -10.312 1.00 14.52 C ATOM 0 H THR A 105 13.605 9.868 -10.718 1.00 71.32 H new ATOM 0 HA THR A 105 16.080 11.113 -11.525 1.00 2.30 H new ATOM 0 HB THR A 105 16.686 8.907 -12.313 1.00 41.24 H new ATOM 0 HG1 THR A 105 15.173 7.623 -13.073 1.00 72.24 H new ATOM 0 HG21 THR A 105 16.351 7.557 -10.277 1.00 14.52 H new ATOM 0 HG22 THR A 105 16.781 9.240 -9.888 1.00 14.52 H new ATOM 0 HG23 THR A 105 15.094 8.695 -9.735 1.00 14.52 H new ATOM 1585 N GLU A 106 15.804 10.444 -14.209 1.00 73.34 N ATOM 1586 CA GLU A 106 15.570 10.694 -15.627 1.00 3.42 C ATOM 1587 C GLU A 106 15.550 9.387 -16.414 1.00 40.43 C ATOM 1588 O GLU A 106 16.260 9.237 -17.409 1.00 25.31 O ATOM 1589 CB GLU A 106 16.649 11.624 -16.187 1.00 71.34 C ATOM 1590 CG GLU A 106 16.735 12.960 -15.469 1.00 21.54 C ATOM 1591 CD GLU A 106 17.537 13.988 -16.242 1.00 70.25 C ATOM 1592 OE1 GLU A 106 18.364 13.584 -17.086 1.00 22.30 O ATOM 1593 OE2 GLU A 106 17.337 15.197 -16.004 1.00 55.42 O ATOM 0 H GLU A 106 16.701 10.006 -14.000 1.00 73.34 H new ATOM 0 HA GLU A 106 14.597 11.174 -15.730 1.00 3.42 H new ATOM 0 HB2 GLU A 106 17.616 11.124 -16.124 1.00 71.34 H new ATOM 0 HB3 GLU A 106 16.451 11.801 -17.244 1.00 71.34 H new ATOM 0 HG2 GLU A 106 15.728 13.343 -15.300 1.00 21.54 H new ATOM 0 HG3 GLU A 106 17.189 12.813 -14.489 1.00 21.54 H new ATOM 1600 N THR A 107 14.731 8.443 -15.962 1.00 13.32 N ATOM 1601 CA THR A 107 14.618 7.149 -16.621 1.00 62.45 C ATOM 1602 C THR A 107 13.192 6.896 -17.098 1.00 44.52 C ATOM 1603 O THR A 107 12.261 7.593 -16.695 1.00 52.22 O ATOM 1604 CB THR A 107 15.045 6.002 -15.685 1.00 54.13 C ATOM 1605 OG1 THR A 107 16.054 6.460 -14.778 1.00 72.24 O ATOM 1606 CG2 THR A 107 15.572 4.819 -16.484 1.00 13.35 C ATOM 0 H THR A 107 14.136 8.551 -15.141 1.00 13.32 H new ATOM 0 HA THR A 107 15.287 7.174 -17.481 1.00 62.45 H new ATOM 0 HB THR A 107 14.170 5.678 -15.121 1.00 54.13 H new ATOM 0 HG1 THR A 107 16.319 5.726 -14.185 1.00 72.24 H new ATOM 0 HG21 THR A 107 15.867 4.022 -15.802 1.00 13.35 H new ATOM 0 HG22 THR A 107 14.792 4.455 -17.152 1.00 13.35 H new ATOM 0 HG23 THR A 107 16.435 5.132 -17.071 1.00 13.35 H new ATOM 1614 N ARG A 108 13.029 5.896 -17.958 1.00 11.13 N ATOM 1615 CA ARG A 108 11.716 5.553 -18.490 1.00 34.45 C ATOM 1616 C ARG A 108 11.498 4.042 -18.467 1.00 50.52 C ATOM 1617 O ARG A 108 12.432 3.274 -18.241 1.00 13.34 O ATOM 1618 CB ARG A 108 11.567 6.079 -19.918 1.00 51.02 C ATOM 1619 CG ARG A 108 11.779 7.579 -20.040 1.00 0.23 C ATOM 1620 CD ARG A 108 12.338 7.954 -21.403 1.00 52.13 C ATOM 1621 NE ARG A 108 11.598 7.320 -22.491 1.00 62.22 N ATOM 1622 CZ ARG A 108 10.443 7.779 -22.960 1.00 63.12 C ATOM 1623 NH1 ARG A 108 9.899 8.870 -22.440 1.00 3.15 N ATOM 1624 NH2 ARG A 108 9.830 7.146 -23.953 1.00 3.24 N ATOM 0 H ARG A 108 13.790 5.309 -18.301 1.00 11.13 H new ATOM 0 HA ARG A 108 10.962 6.021 -17.858 1.00 34.45 H new ATOM 0 HB2 ARG A 108 12.282 5.566 -20.561 1.00 51.02 H new ATOM 0 HB3 ARG A 108 10.572 5.830 -20.286 1.00 51.02 H new ATOM 0 HG2 ARG A 108 10.833 8.095 -19.879 1.00 0.23 H new ATOM 0 HG3 ARG A 108 12.462 7.915 -19.260 1.00 0.23 H new ATOM 0 HD2 ARG A 108 12.303 9.037 -21.524 1.00 52.13 H new ATOM 0 HD3 ARG A 108 13.386 7.660 -21.458 1.00 52.13 H new ATOM 0 HE ARG A 108 11.990 6.478 -22.914 1.00 62.22 H new ATOM 0 HH11 ARG A 108 10.367 9.360 -21.678 1.00 3.15 H new ATOM 0 HH12 ARG A 108 9.012 9.220 -22.802 1.00 3.15 H new ATOM 0 HH21 ARG A 108 10.246 6.307 -24.356 1.00 3.24 H new ATOM 0 HH22 ARG A 108 8.943 7.499 -24.312 1.00 3.24 H new ATOM 1638 N ASN A 109 10.258 3.625 -18.704 1.00 25.15 N ATOM 1639 CA ASN A 109 9.918 2.207 -18.709 1.00 72.14 C ATOM 1640 C ASN A 109 8.459 2.000 -19.104 1.00 34.33 C ATOM 1641 O ASN A 109 7.671 2.946 -19.126 1.00 31.11 O ATOM 1642 CB ASN A 109 10.178 1.593 -17.332 1.00 72.24 C ATOM 1643 CG ASN A 109 10.575 0.132 -17.417 1.00 33.45 C ATOM 1644 OD1 ASN A 109 11.042 -0.337 -18.454 1.00 71.45 O ATOM 1645 ND2 ASN A 109 10.390 -0.596 -16.321 1.00 13.41 N ATOM 0 H ASN A 109 9.473 4.248 -18.895 1.00 25.15 H new ATOM 0 HA ASN A 109 10.550 1.710 -19.445 1.00 72.14 H new ATOM 0 HB2 ASN A 109 10.968 2.153 -16.831 1.00 72.24 H new ATOM 0 HB3 ASN A 109 9.281 1.688 -16.719 1.00 72.24 H new ATOM 0 HD21 ASN A 109 10.638 -1.585 -16.318 1.00 13.41 H new ATOM 0 HD22 ASN A 109 10.000 -0.166 -15.483 1.00 13.41 H new ATOM 1652 N ILE A 110 8.106 0.757 -19.413 1.00 70.44 N ATOM 1653 CA ILE A 110 6.742 0.425 -19.805 1.00 14.11 C ATOM 1654 C ILE A 110 6.584 -1.074 -20.033 1.00 62.34 C ATOM 1655 O ILE A 110 7.335 -1.678 -20.799 1.00 24.20 O ATOM 1656 CB ILE A 110 6.325 1.174 -21.084 1.00 43.54 C ATOM 1657 CG1 ILE A 110 4.902 0.785 -21.489 1.00 62.05 C ATOM 1658 CG2 ILE A 110 7.302 0.880 -22.213 1.00 25.44 C ATOM 1659 CD1 ILE A 110 4.412 1.494 -22.733 1.00 3.14 C ATOM 0 H ILE A 110 8.746 -0.037 -19.399 1.00 70.44 H new ATOM 0 HA ILE A 110 6.095 0.735 -18.985 1.00 14.11 H new ATOM 0 HB ILE A 110 6.345 2.245 -20.882 1.00 43.54 H new ATOM 0 HG12 ILE A 110 4.862 -0.292 -21.655 1.00 62.05 H new ATOM 0 HG13 ILE A 110 4.225 1.006 -20.664 1.00 62.05 H new ATOM 0 HG21 ILE A 110 6.993 1.417 -23.110 1.00 25.44 H new ATOM 0 HG22 ILE A 110 8.302 1.203 -21.923 1.00 25.44 H new ATOM 0 HG23 ILE A 110 7.312 -0.191 -22.416 1.00 25.44 H new ATOM 0 HD11 ILE A 110 3.397 1.170 -22.961 1.00 3.14 H new ATOM 0 HD12 ILE A 110 4.420 2.571 -22.565 1.00 3.14 H new ATOM 0 HD13 ILE A 110 5.066 1.253 -23.571 1.00 3.14 H new ATOM 1671 N SER A 111 5.601 -1.669 -19.365 1.00 61.22 N ATOM 1672 CA SER A 111 5.346 -3.099 -19.494 1.00 35.14 C ATOM 1673 C SER A 111 4.158 -3.518 -18.633 1.00 15.02 C ATOM 1674 O SER A 111 3.931 -2.966 -17.556 1.00 25.44 O ATOM 1675 CB SER A 111 6.587 -3.898 -19.093 1.00 70.52 C ATOM 1676 OG SER A 111 7.318 -4.312 -20.235 1.00 54.40 O ATOM 0 H SER A 111 4.968 -1.183 -18.729 1.00 61.22 H new ATOM 0 HA SER A 111 5.109 -3.308 -20.537 1.00 35.14 H new ATOM 0 HB2 SER A 111 7.224 -3.289 -18.451 1.00 70.52 H new ATOM 0 HB3 SER A 111 6.289 -4.771 -18.512 1.00 70.52 H new ATOM 0 HG SER A 111 7.559 -3.528 -20.771 1.00 54.40 H new ATOM 1682 N PHE A 112 3.401 -4.498 -19.116 1.00 50.34 N ATOM 1683 CA PHE A 112 2.235 -4.991 -18.393 1.00 31.20 C ATOM 1684 C PHE A 112 2.528 -6.342 -17.746 1.00 53.12 C ATOM 1685 O PHE A 112 1.650 -7.199 -17.647 1.00 55.11 O ATOM 1686 CB PHE A 112 1.037 -5.114 -19.337 1.00 60.10 C ATOM 1687 CG PHE A 112 1.336 -5.891 -20.587 1.00 44.44 C ATOM 1688 CD1 PHE A 112 1.153 -7.263 -20.627 1.00 23.43 C ATOM 1689 CD2 PHE A 112 1.801 -5.248 -21.723 1.00 45.33 C ATOM 1690 CE1 PHE A 112 1.427 -7.981 -21.776 1.00 4.01 C ATOM 1691 CE2 PHE A 112 2.077 -5.960 -22.875 1.00 51.13 C ATOM 1692 CZ PHE A 112 1.891 -7.328 -22.901 1.00 72.33 C ATOM 0 H PHE A 112 3.575 -4.966 -20.005 1.00 50.34 H new ATOM 0 HA PHE A 112 1.997 -4.275 -17.607 1.00 31.20 H new ATOM 0 HB2 PHE A 112 0.215 -5.596 -18.807 1.00 60.10 H new ATOM 0 HB3 PHE A 112 0.697 -4.115 -19.612 1.00 60.10 H new ATOM 0 HD1 PHE A 112 0.792 -7.779 -19.749 1.00 23.43 H new ATOM 0 HD2 PHE A 112 1.949 -4.178 -21.708 1.00 45.33 H new ATOM 0 HE1 PHE A 112 1.279 -9.051 -21.794 1.00 4.01 H new ATOM 0 HE2 PHE A 112 2.438 -5.447 -23.754 1.00 51.13 H new ATOM 0 HZ PHE A 112 2.108 -7.886 -23.800 1.00 72.33 H new ATOM 1702 N VAL A 113 3.769 -6.525 -17.308 1.00 2.43 N ATOM 1703 CA VAL A 113 4.179 -7.770 -16.670 1.00 2.12 C ATOM 1704 C VAL A 113 4.627 -7.530 -15.233 1.00 4.34 C ATOM 1705 O VAL A 113 5.091 -6.442 -14.888 1.00 71.23 O ATOM 1706 CB VAL A 113 5.324 -8.448 -17.446 1.00 74.03 C ATOM 1707 CG1 VAL A 113 5.562 -9.857 -16.924 1.00 42.41 C ATOM 1708 CG2 VAL A 113 5.018 -8.468 -18.936 1.00 55.43 C ATOM 0 H VAL A 113 4.508 -5.826 -17.383 1.00 2.43 H new ATOM 0 HA VAL A 113 3.309 -8.427 -16.672 1.00 2.12 H new ATOM 0 HB VAL A 113 6.236 -7.871 -17.293 1.00 74.03 H new ATOM 0 HG11 VAL A 113 6.374 -10.320 -17.484 1.00 42.41 H new ATOM 0 HG12 VAL A 113 5.828 -9.814 -15.868 1.00 42.41 H new ATOM 0 HG13 VAL A 113 4.654 -10.448 -17.045 1.00 42.41 H new ATOM 0 HG21 VAL A 113 5.837 -8.950 -19.469 1.00 55.43 H new ATOM 0 HG22 VAL A 113 4.095 -9.022 -19.111 1.00 55.43 H new ATOM 0 HG23 VAL A 113 4.902 -7.446 -19.297 1.00 55.43 H new ATOM 1718 N LYS A 114 4.487 -8.552 -14.396 1.00 72.41 N ATOM 1719 CA LYS A 114 4.879 -8.455 -12.995 1.00 55.10 C ATOM 1720 C LYS A 114 6.318 -8.921 -12.799 1.00 14.13 C ATOM 1721 O LYS A 114 6.567 -9.949 -12.171 1.00 14.25 O ATOM 1722 CB LYS A 114 3.938 -9.288 -12.122 1.00 32.41 C ATOM 1723 CG LYS A 114 3.935 -8.872 -10.661 1.00 61.02 C ATOM 1724 CD LYS A 114 2.927 -9.674 -9.855 1.00 4.23 C ATOM 1725 CE LYS A 114 2.734 -9.089 -8.464 1.00 42.51 C ATOM 1726 NZ LYS A 114 1.819 -7.914 -8.479 1.00 33.21 N ATOM 0 H LYS A 114 4.104 -9.459 -14.664 1.00 72.41 H new ATOM 0 HA LYS A 114 4.811 -7.409 -12.696 1.00 55.10 H new ATOM 0 HB2 LYS A 114 2.925 -9.208 -12.516 1.00 32.41 H new ATOM 0 HB3 LYS A 114 4.225 -10.337 -12.192 1.00 32.41 H new ATOM 0 HG2 LYS A 114 4.931 -9.010 -10.240 1.00 61.02 H new ATOM 0 HG3 LYS A 114 3.701 -7.810 -10.585 1.00 61.02 H new ATOM 0 HD2 LYS A 114 1.972 -9.692 -10.379 1.00 4.23 H new ATOM 0 HD3 LYS A 114 3.265 -10.707 -9.773 1.00 4.23 H new ATOM 0 HE2 LYS A 114 2.331 -9.854 -7.801 1.00 42.51 H new ATOM 0 HE3 LYS A 114 3.701 -8.791 -8.058 1.00 42.51 H new ATOM 0 HZ1 LYS A 114 1.713 -7.544 -7.513 1.00 33.21 H new ATOM 0 HZ2 LYS A 114 2.215 -7.173 -9.092 1.00 33.21 H new ATOM 0 HZ3 LYS A 114 0.889 -8.203 -8.843 1.00 33.21 H new ATOM 1740 N ASN A 115 7.261 -8.157 -13.339 1.00 42.24 N ATOM 1741 CA ASN A 115 8.676 -8.492 -13.222 1.00 51.44 C ATOM 1742 C ASN A 115 9.058 -8.737 -11.766 1.00 3.30 C ATOM 1743 O ASN A 115 8.598 -8.034 -10.866 1.00 22.10 O ATOM 1744 CB ASN A 115 9.537 -7.369 -13.806 1.00 32.25 C ATOM 1745 CG ASN A 115 9.478 -7.323 -15.320 1.00 51.32 C ATOM 1746 OD1 ASN A 115 9.229 -6.272 -15.911 1.00 15.22 O ATOM 1747 ND2 ASN A 115 9.708 -8.466 -15.956 1.00 53.54 N ATOM 0 H ASN A 115 7.072 -7.302 -13.862 1.00 42.24 H new ATOM 0 HA ASN A 115 8.855 -9.408 -13.785 1.00 51.44 H new ATOM 0 HB2 ASN A 115 9.204 -6.413 -13.403 1.00 32.25 H new ATOM 0 HB3 ASN A 115 10.571 -7.506 -13.489 1.00 32.25 H new ATOM 0 HD21 ASN A 115 9.682 -8.497 -16.975 1.00 53.54 H new ATOM 0 HD22 ASN A 115 9.910 -9.313 -15.425 1.00 53.54 H new ATOM 1754 N SER A 116 9.903 -9.738 -11.542 1.00 44.21 N ATOM 1755 CA SER A 116 10.346 -10.078 -10.195 1.00 33.20 C ATOM 1756 C SER A 116 11.741 -10.694 -10.221 1.00 23.23 C ATOM 1757 O SER A 116 11.926 -11.817 -10.686 1.00 60.44 O ATOM 1758 CB SER A 116 9.360 -11.048 -9.541 1.00 74.35 C ATOM 1759 OG SER A 116 8.318 -10.350 -8.882 1.00 51.42 O ATOM 0 H SER A 116 10.295 -10.328 -12.276 1.00 44.21 H new ATOM 0 HA SER A 116 10.384 -9.160 -9.609 1.00 33.20 H new ATOM 0 HB2 SER A 116 8.937 -11.708 -10.299 1.00 74.35 H new ATOM 0 HB3 SER A 116 9.887 -11.680 -8.826 1.00 74.35 H new ATOM 0 HG SER A 116 8.177 -9.484 -9.319 1.00 51.42 H new TER 1765 SER A 116