USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl -157:sc=-0.00431 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl 145:sc= -3.51! (180deg=-4.85!) USER MOD Set 1.3: A 90 MET CE :methyl 137:sc= -2.8 (180deg=-5.62!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -149:sc= 0.572 (180deg=0) USER MOD Set 2.2: A 63 THR OG1 : rot 151:sc= 0.229 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.018) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.00967 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -89:sc= -0.0917 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 30 TYR OH : rot 150:sc= -2.12! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 36 GLN : amide:sc=-0.000754 X(o=-0.00075,f=-0.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.83 K(o=-2.8,f=-4.7) USER MOD Single : A 46 MET CE :methyl 139:sc= -0.93 (180deg=-4.46!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.436 USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 71 MET CE :methyl -130:sc= -1.73 (180deg=-8.14!) USER MOD Single : A 76 THR OG1 : rot -104:sc= 1.23 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0252) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.11) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot -15:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.367 2.655 -3.884 1.00 2.12 N ATOM 2 CA MET A 1 4.712 2.099 -3.797 1.00 55.40 C ATOM 3 C MET A 1 4.671 0.646 -3.335 1.00 43.44 C ATOM 4 O MET A 1 3.823 0.265 -2.528 1.00 21.44 O ATOM 5 CB MET A 1 5.568 2.928 -2.837 1.00 1.43 C ATOM 6 CG MET A 1 6.672 3.711 -3.529 1.00 14.10 C ATOM 7 SD MET A 1 8.321 3.148 -3.063 1.00 63.13 S ATOM 8 CE MET A 1 8.410 3.723 -1.369 1.00 63.32 C ATOM 0 H1 MET A 1 3.409 3.687 -3.761 1.00 2.12 H new ATOM 0 H2 MET A 1 2.959 2.433 -4.815 1.00 2.12 H new ATOM 0 H3 MET A 1 2.772 2.242 -3.138 1.00 2.12 H new ATOM 0 HA MET A 1 5.157 2.133 -4.791 1.00 55.40 H new ATOM 0 HB2 MET A 1 4.925 3.623 -2.297 1.00 1.43 H new ATOM 0 HB3 MET A 1 6.014 2.265 -2.096 1.00 1.43 H new ATOM 0 HG2 MET A 1 6.554 3.621 -4.609 1.00 14.10 H new ATOM 0 HG3 MET A 1 6.571 4.768 -3.284 1.00 14.10 H new ATOM 0 HE1 MET A 1 9.416 3.561 -0.982 1.00 63.32 H new ATOM 0 HE2 MET A 1 8.174 4.787 -1.333 1.00 63.32 H new ATOM 0 HE3 MET A 1 7.694 3.172 -0.760 1.00 63.32 H new ATOM 18 N SER A 2 5.592 -0.161 -3.852 1.00 54.23 N ATOM 19 CA SER A 2 5.658 -1.573 -3.495 1.00 32.41 C ATOM 20 C SER A 2 6.895 -1.863 -2.650 1.00 10.23 C ATOM 21 O SER A 2 7.995 -1.400 -2.957 1.00 4.44 O ATOM 22 CB SER A 2 5.675 -2.439 -4.757 1.00 33.45 C ATOM 23 OG SER A 2 4.802 -1.919 -5.744 1.00 15.20 O ATOM 0 H SER A 2 6.303 0.139 -4.519 1.00 54.23 H new ATOM 0 HA SER A 2 4.773 -1.815 -2.907 1.00 32.41 H new ATOM 0 HB2 SER A 2 6.689 -2.489 -5.154 1.00 33.45 H new ATOM 0 HB3 SER A 2 5.380 -3.458 -4.507 1.00 33.45 H new ATOM 0 HG SER A 2 4.832 -2.489 -6.541 1.00 15.20 H new ATOM 29 N LEU A 3 6.707 -2.631 -1.582 1.00 73.31 N ATOM 30 CA LEU A 3 7.806 -2.984 -0.691 1.00 75.02 C ATOM 31 C LEU A 3 8.918 -3.698 -1.452 1.00 14.53 C ATOM 32 O LEU A 3 8.732 -4.119 -2.594 1.00 42.22 O ATOM 33 CB LEU A 3 7.300 -3.872 0.448 1.00 63.32 C ATOM 34 CG LEU A 3 6.732 -3.143 1.667 1.00 12.11 C ATOM 35 CD1 LEU A 3 7.855 -2.677 2.581 1.00 30.40 C ATOM 36 CD2 LEU A 3 5.874 -1.965 1.231 1.00 14.33 C ATOM 0 H LEU A 3 5.804 -3.021 -1.312 1.00 73.31 H new ATOM 0 HA LEU A 3 8.212 -2.063 -0.273 1.00 75.02 H new ATOM 0 HB2 LEU A 3 6.528 -4.532 0.052 1.00 63.32 H new ATOM 0 HB3 LEU A 3 8.122 -4.507 0.780 1.00 63.32 H new ATOM 0 HG LEU A 3 6.104 -3.839 2.223 1.00 12.11 H new ATOM 0 HD11 LEU A 3 7.432 -2.161 3.443 1.00 30.40 H new ATOM 0 HD12 LEU A 3 8.429 -3.539 2.920 1.00 30.40 H new ATOM 0 HD13 LEU A 3 8.509 -1.997 2.036 1.00 30.40 H new ATOM 0 HD21 LEU A 3 5.478 -1.458 2.111 1.00 14.33 H new ATOM 0 HD22 LEU A 3 6.480 -1.268 0.652 1.00 14.33 H new ATOM 0 HD23 LEU A 3 5.048 -2.324 0.617 1.00 14.33 H new ATOM 48 N LYS A 4 10.073 -3.835 -0.810 1.00 74.23 N ATOM 49 CA LYS A 4 11.215 -4.502 -1.425 1.00 53.11 C ATOM 50 C LYS A 4 10.959 -5.999 -1.567 1.00 23.13 C ATOM 51 O LYS A 4 10.920 -6.529 -2.678 1.00 33.14 O ATOM 52 CB LYS A 4 12.478 -4.266 -0.592 1.00 4.34 C ATOM 53 CG LYS A 4 13.048 -2.866 -0.735 1.00 14.11 C ATOM 54 CD LYS A 4 13.839 -2.458 0.496 1.00 62.11 C ATOM 55 CE LYS A 4 12.959 -1.745 1.512 1.00 4.50 C ATOM 56 NZ LYS A 4 13.742 -1.270 2.686 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.243 -3.493 0.136 1.00 74.23 H new ATOM 0 HA LYS A 4 11.359 -4.080 -2.420 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.251 -4.451 0.458 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.238 -4.990 -0.886 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.692 -2.822 -1.613 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.237 -2.157 -0.899 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.283 -3.342 0.954 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.660 -1.805 0.202 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.468 -0.897 1.035 1.00 4.50 H new ATOM 0 HE3 LYS A 4 12.173 -2.420 1.849 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 13.107 -0.790 3.355 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.190 -2.082 3.156 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 14.476 -0.606 2.368 1.00 25.42 H new ATOM 70 N SER A 5 10.784 -6.675 -0.436 1.00 45.41 N ATOM 71 CA SER A 5 10.534 -8.112 -0.436 1.00 45.22 C ATOM 72 C SER A 5 9.498 -8.483 -1.493 1.00 54.53 C ATOM 73 O SER A 5 9.529 -9.582 -2.048 1.00 44.30 O ATOM 74 CB SER A 5 10.055 -8.567 0.944 1.00 53.55 C ATOM 75 OG SER A 5 8.880 -7.875 1.331 1.00 22.21 O ATOM 0 H SER A 5 10.811 -6.251 0.491 1.00 45.41 H new ATOM 0 HA SER A 5 11.469 -8.619 -0.674 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.861 -9.639 0.929 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.841 -8.395 1.680 1.00 53.55 H new ATOM 0 HG SER A 5 9.126 -7.051 1.801 1.00 22.21 H new ATOM 81 N ASP A 6 8.583 -7.560 -1.766 1.00 52.44 N ATOM 82 CA ASP A 6 7.538 -7.789 -2.758 1.00 71.01 C ATOM 83 C ASP A 6 8.141 -8.202 -4.097 1.00 21.35 C ATOM 84 O ASP A 6 7.734 -9.199 -4.691 1.00 22.51 O ATOM 85 CB ASP A 6 6.687 -6.530 -2.933 1.00 22.02 C ATOM 86 CG ASP A 6 5.222 -6.848 -3.152 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.600 -7.436 -2.242 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.696 -6.509 -4.233 1.00 43.34 O ATOM 0 H ASP A 6 8.543 -6.646 -1.315 1.00 52.44 H new ATOM 0 HA ASP A 6 6.903 -8.600 -2.401 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.791 -5.899 -2.050 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.062 -5.956 -3.781 1.00 22.02 H new ATOM 93 N GLU A 7 9.113 -7.426 -4.567 1.00 34.23 N ATOM 94 CA GLU A 7 9.771 -7.710 -5.837 1.00 34.02 C ATOM 95 C GLU A 7 10.294 -9.143 -5.869 1.00 65.44 C ATOM 96 O GLU A 7 10.218 -9.822 -6.894 1.00 4.31 O ATOM 97 CB GLU A 7 10.920 -6.730 -6.073 1.00 60.23 C ATOM 98 CG GLU A 7 10.954 -6.158 -7.481 1.00 53.31 C ATOM 99 CD GLU A 7 10.256 -4.815 -7.582 1.00 52.50 C ATOM 100 OE1 GLU A 7 10.749 -3.842 -6.974 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 9.217 -4.739 -8.271 1.00 42.03 O ATOM 0 H GLU A 7 9.462 -6.596 -4.087 1.00 34.23 H new ATOM 0 HA GLU A 7 9.035 -7.592 -6.633 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.840 -5.910 -5.359 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.865 -7.236 -5.873 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.991 -6.049 -7.800 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.481 -6.861 -8.166 1.00 53.31 H new ATOM 108 N VAL A 8 10.828 -9.598 -4.740 1.00 74.30 N ATOM 109 CA VAL A 8 11.365 -10.950 -4.638 1.00 35.34 C ATOM 110 C VAL A 8 10.295 -11.991 -4.948 1.00 41.31 C ATOM 111 O VAL A 8 10.446 -12.798 -5.864 1.00 60.20 O ATOM 112 CB VAL A 8 11.939 -11.220 -3.234 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.337 -12.682 -3.093 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.123 -10.308 -2.958 1.00 74.14 C ATOM 0 H VAL A 8 10.900 -9.050 -3.883 1.00 74.30 H new ATOM 0 HA VAL A 8 12.167 -11.029 -5.372 1.00 35.34 H new ATOM 0 HB VAL A 8 11.166 -11.005 -2.496 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.740 -12.855 -2.095 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.462 -13.314 -3.245 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.094 -12.926 -3.838 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.516 -10.513 -1.962 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.902 -10.488 -3.699 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.802 -9.268 -3.015 1.00 74.14 H new ATOM 124 N PHE A 9 9.213 -11.966 -4.177 1.00 5.40 N ATOM 125 CA PHE A 9 8.117 -12.908 -4.368 1.00 4.42 C ATOM 126 C PHE A 9 7.702 -12.969 -5.835 1.00 14.12 C ATOM 127 O PHE A 9 7.501 -14.049 -6.390 1.00 72.03 O ATOM 128 CB PHE A 9 6.918 -12.511 -3.503 1.00 14.30 C ATOM 129 CG PHE A 9 7.169 -12.653 -2.030 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.351 -13.904 -1.462 1.00 64.03 C ATOM 131 CD2 PHE A 9 7.221 -11.536 -1.211 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.582 -14.039 -0.106 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.453 -11.665 0.145 1.00 70.23 C ATOM 134 CZ PHE A 9 7.633 -12.918 0.698 1.00 3.11 C ATOM 0 H PHE A 9 9.072 -11.304 -3.414 1.00 5.40 H new ATOM 0 HA PHE A 9 8.463 -13.896 -4.065 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.650 -11.477 -3.720 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.062 -13.126 -3.779 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.312 -14.784 -2.087 1.00 64.03 H new ATOM 0 HD2 PHE A 9 7.079 -10.554 -1.637 1.00 71.40 H new ATOM 0 HE1 PHE A 9 7.722 -15.020 0.324 1.00 45.45 H new ATOM 0 HE2 PHE A 9 7.494 -10.787 0.772 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.813 -13.020 1.758 1.00 3.11 H new ATOM 144 N ALA A 10 7.575 -11.802 -6.458 1.00 54.15 N ATOM 145 CA ALA A 10 7.186 -11.722 -7.860 1.00 71.40 C ATOM 146 C ALA A 10 8.218 -12.399 -8.756 1.00 23.42 C ATOM 147 O ALA A 10 7.868 -13.133 -9.679 1.00 32.34 O ATOM 148 CB ALA A 10 6.998 -10.269 -8.273 1.00 11.12 C ATOM 0 H ALA A 10 7.736 -10.898 -6.013 1.00 54.15 H new ATOM 0 HA ALA A 10 6.239 -12.248 -7.979 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.708 -10.224 -9.323 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.219 -9.815 -7.661 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.933 -9.727 -8.132 1.00 11.12 H new ATOM 154 N LYS A 11 9.493 -12.146 -8.477 1.00 53.04 N ATOM 155 CA LYS A 11 10.577 -12.731 -9.256 1.00 71.11 C ATOM 156 C LYS A 11 10.510 -14.255 -9.225 1.00 34.23 C ATOM 157 O LYS A 11 10.552 -14.909 -10.267 1.00 35.32 O ATOM 158 CB LYS A 11 11.930 -12.259 -8.721 1.00 75.32 C ATOM 159 CG LYS A 11 12.182 -10.775 -8.928 1.00 51.04 C ATOM 160 CD LYS A 11 12.944 -10.513 -10.216 1.00 31.12 C ATOM 161 CE LYS A 11 14.041 -9.478 -10.014 1.00 2.51 C ATOM 162 NZ LYS A 11 15.265 -9.809 -10.793 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.800 -11.539 -7.717 1.00 53.04 H new ATOM 0 HA LYS A 11 10.466 -12.401 -10.289 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.989 -12.484 -7.656 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.722 -12.825 -9.210 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.231 -10.243 -8.953 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.746 -10.380 -8.083 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.382 -11.444 -10.576 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.253 -10.167 -10.985 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.674 -8.496 -10.314 1.00 2.51 H new ATOM 0 HE3 LYS A 11 14.290 -9.415 -8.955 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 15.989 -9.080 -10.629 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 15.630 -10.734 -10.489 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 15.033 -9.844 -11.806 1.00 32.05 H new ATOM 176 N ILE A 12 10.402 -14.813 -8.024 1.00 21.10 N ATOM 177 CA ILE A 12 10.326 -16.259 -7.858 1.00 64.54 C ATOM 178 C ILE A 12 9.174 -16.845 -8.669 1.00 34.03 C ATOM 179 O ILE A 12 9.377 -17.726 -9.505 1.00 74.53 O ATOM 180 CB ILE A 12 10.146 -16.647 -6.379 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.406 -16.303 -5.582 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.823 -18.129 -6.256 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.286 -16.600 -4.104 1.00 2.33 C ATOM 0 H ILE A 12 10.365 -14.286 -7.152 1.00 21.10 H new ATOM 0 HA ILE A 12 11.269 -16.669 -8.221 1.00 64.54 H new ATOM 0 HB ILE A 12 9.312 -16.078 -5.968 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.248 -16.863 -5.990 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.632 -15.245 -5.715 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.699 -18.388 -5.205 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.901 -18.346 -6.795 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.638 -18.715 -6.680 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.216 -16.332 -3.602 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.465 -16.020 -3.682 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.090 -17.663 -3.961 1.00 2.33 H new ATOM 195 N ALA A 13 7.968 -16.350 -8.417 1.00 52.24 N ATOM 196 CA ALA A 13 6.785 -16.821 -9.126 1.00 63.33 C ATOM 197 C ALA A 13 6.994 -16.774 -10.636 1.00 65.53 C ATOM 198 O ALA A 13 6.792 -17.768 -11.334 1.00 52.01 O ATOM 199 CB ALA A 13 5.569 -15.994 -8.734 1.00 65.33 C ATOM 0 H ALA A 13 7.784 -15.622 -7.727 1.00 52.24 H new ATOM 0 HA ALA A 13 6.612 -17.859 -8.841 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.693 -16.357 -9.272 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.399 -16.083 -7.661 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.743 -14.948 -8.988 1.00 65.33 H new ATOM 205 N LYS A 14 7.401 -15.611 -11.136 1.00 61.31 N ATOM 206 CA LYS A 14 7.639 -15.432 -12.563 1.00 24.13 C ATOM 207 C LYS A 14 8.623 -16.474 -13.085 1.00 74.23 C ATOM 208 O LYS A 14 8.599 -16.828 -14.264 1.00 64.00 O ATOM 209 CB LYS A 14 8.174 -14.026 -12.840 1.00 55.21 C ATOM 210 CG LYS A 14 7.156 -12.927 -12.587 1.00 43.13 C ATOM 211 CD LYS A 14 7.823 -11.567 -12.464 1.00 15.10 C ATOM 212 CE LYS A 14 8.180 -10.996 -13.828 1.00 0.23 C ATOM 213 NZ LYS A 14 9.001 -9.759 -13.714 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.573 -14.778 -10.573 1.00 61.31 H new ATOM 0 HA LYS A 14 6.690 -15.561 -13.083 1.00 24.13 H new ATOM 0 HB2 LYS A 14 9.049 -13.850 -12.215 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.506 -13.970 -13.877 1.00 55.21 H new ATOM 0 HG2 LYS A 14 6.432 -12.906 -13.401 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.602 -13.146 -11.674 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.156 -10.879 -11.944 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.725 -11.656 -11.858 1.00 15.10 H new ATOM 0 HE2 LYS A 14 8.727 -11.743 -14.403 1.00 0.23 H new ATOM 0 HE3 LYS A 14 7.266 -10.776 -14.380 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 9.223 -9.401 -14.665 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.469 -9.037 -13.188 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 9.885 -9.974 -13.210 1.00 52.31 H new ATOM 227 N ARG A 15 9.486 -16.963 -12.200 1.00 24.20 N ATOM 228 CA ARG A 15 10.477 -17.965 -12.572 1.00 2.23 C ATOM 229 C ARG A 15 9.835 -19.341 -12.710 1.00 74.55 C ATOM 230 O ARG A 15 10.248 -20.151 -13.542 1.00 13.42 O ATOM 231 CB ARG A 15 11.598 -18.014 -11.532 1.00 52.33 C ATOM 232 CG ARG A 15 12.962 -18.332 -12.122 1.00 60.13 C ATOM 233 CD ARG A 15 13.554 -19.592 -11.508 1.00 64.22 C ATOM 234 NE ARG A 15 13.400 -20.751 -12.383 1.00 31.41 N ATOM 235 CZ ARG A 15 12.393 -21.612 -12.291 1.00 3.45 C ATOM 236 NH1 ARG A 15 11.455 -21.444 -11.370 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 12.322 -22.642 -13.124 1.00 54.20 N ATOM 0 H ARG A 15 9.519 -16.681 -11.220 1.00 24.20 H new ATOM 0 HA ARG A 15 10.898 -17.683 -13.537 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.648 -17.054 -11.019 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.353 -18.764 -10.781 1.00 52.33 H new ATOM 0 HG2 ARG A 15 12.872 -18.459 -13.201 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.637 -17.493 -11.955 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.612 -19.432 -11.301 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.069 -19.792 -10.552 1.00 64.22 H new ATOM 0 HE ARG A 15 14.104 -20.908 -13.104 1.00 31.41 H new ATOM 0 HH11 ARG A 15 11.505 -20.652 -10.729 1.00 71.10 H new ATOM 0 HH12 ARG A 15 10.683 -22.107 -11.302 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.041 -22.773 -13.836 1.00 54.20 H new ATOM 0 HH22 ARG A 15 11.548 -23.303 -13.053 1.00 54.20 H new ATOM 251 N LEU A 16 8.822 -19.600 -11.889 1.00 62.42 N ATOM 252 CA LEU A 16 8.122 -20.879 -11.918 1.00 42.54 C ATOM 253 C LEU A 16 7.353 -21.050 -13.225 1.00 3.14 C ATOM 254 O LEU A 16 7.037 -22.168 -13.628 1.00 45.05 O ATOM 255 CB LEU A 16 7.163 -20.986 -10.732 1.00 71.15 C ATOM 256 CG LEU A 16 7.681 -20.443 -9.400 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.635 -20.616 -8.309 1.00 44.00 C ATOM 258 CD2 LEU A 16 8.979 -21.136 -9.010 1.00 22.33 C ATOM 0 H LEU A 16 8.468 -18.941 -11.196 1.00 62.42 H new ATOM 0 HA LEU A 16 8.866 -21.673 -11.848 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.244 -20.457 -10.985 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.900 -22.035 -10.596 1.00 71.15 H new ATOM 0 HG LEU A 16 7.881 -19.378 -9.518 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.022 -20.224 -7.369 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.730 -20.074 -8.583 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.403 -21.675 -8.192 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.333 -20.737 -8.059 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.804 -22.207 -8.911 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.731 -20.961 -9.780 1.00 22.33 H new ATOM 270 N GLU A 17 7.058 -19.932 -13.881 1.00 24.21 N ATOM 271 CA GLU A 17 6.328 -19.959 -15.144 1.00 73.03 C ATOM 272 C GLU A 17 7.012 -20.879 -16.149 1.00 53.54 C ATOM 273 O GLU A 17 6.373 -21.406 -17.060 1.00 53.11 O ATOM 274 CB GLU A 17 6.214 -18.547 -15.723 1.00 62.44 C ATOM 275 CG GLU A 17 5.612 -17.540 -14.758 1.00 32.22 C ATOM 276 CD GLU A 17 5.604 -16.129 -15.315 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.344 -15.873 -16.287 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.858 -15.283 -14.779 1.00 71.21 O1- ATOM 0 H GLU A 17 7.313 -18.998 -13.560 1.00 24.21 H new ATOM 0 HA GLU A 17 5.328 -20.345 -14.947 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.205 -18.205 -16.021 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.604 -18.582 -16.626 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.591 -17.838 -14.519 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.176 -17.555 -13.825 1.00 32.22 H new ATOM 285 N SER A 18 8.317 -21.068 -15.977 1.00 60.23 N ATOM 286 CA SER A 18 9.090 -21.920 -16.872 1.00 50.12 C ATOM 287 C SER A 18 8.906 -23.392 -16.514 1.00 44.52 C ATOM 288 O SER A 18 9.090 -24.274 -17.354 1.00 12.43 O ATOM 289 CB SER A 18 10.574 -21.551 -16.808 1.00 53.43 C ATOM 290 OG SER A 18 11.019 -21.014 -18.042 1.00 62.03 O ATOM 0 H SER A 18 8.860 -20.642 -15.226 1.00 60.23 H new ATOM 0 HA SER A 18 8.727 -21.762 -17.887 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.738 -20.825 -16.012 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.161 -22.435 -16.559 1.00 53.43 H new ATOM 0 HG SER A 18 11.969 -20.785 -17.975 1.00 62.03 H new ATOM 296 N ILE A 19 8.543 -23.649 -15.263 1.00 61.30 N ATOM 297 CA ILE A 19 8.332 -25.013 -14.793 1.00 41.24 C ATOM 298 C ILE A 19 7.424 -25.787 -15.743 1.00 31.14 C ATOM 299 O ILE A 19 6.209 -25.587 -15.758 1.00 72.51 O ATOM 300 CB ILE A 19 7.716 -25.033 -13.381 1.00 11.12 C ATOM 301 CG1 ILE A 19 8.684 -24.414 -12.371 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.360 -26.457 -12.979 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.102 -24.281 -10.981 1.00 70.51 C ATOM 0 H ILE A 19 8.389 -22.931 -14.556 1.00 61.30 H new ATOM 0 HA ILE A 19 9.311 -25.491 -14.760 1.00 41.24 H new ATOM 0 HB ILE A 19 6.802 -24.440 -13.390 1.00 11.12 H new ATOM 0 HG12 ILE A 19 9.585 -25.025 -12.322 1.00 33.03 H new ATOM 0 HG13 ILE A 19 8.986 -23.429 -12.726 1.00 33.03 H new ATOM 0 HG21 ILE A 19 6.926 -26.455 -11.979 1.00 52.32 H new ATOM 0 HG22 ILE A 19 6.639 -26.865 -13.687 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.260 -27.072 -12.983 1.00 52.32 H new ATOM 0 HD11 ILE A 19 8.843 -23.835 -10.317 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.217 -23.645 -11.016 1.00 70.51 H new ATOM 0 HD13 ILE A 19 7.826 -25.267 -10.606 1.00 70.51 H new ATOM 315 N ASP A 20 8.021 -26.672 -16.532 1.00 31.11 N ATOM 316 CA ASP A 20 7.267 -27.479 -17.484 1.00 60.31 C ATOM 317 C ASP A 20 7.232 -28.941 -17.049 1.00 52.22 C ATOM 318 O ASP A 20 8.202 -29.477 -16.510 1.00 2.52 O ATOM 319 CB ASP A 20 7.879 -27.365 -18.881 1.00 72.22 C ATOM 320 CG ASP A 20 6.934 -26.718 -19.875 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.397 -25.633 -19.565 1.00 1.44 O ATOM 322 OD2 ASP A 20 6.731 -27.296 -20.963 1.00 54.13 O1- ATOM 0 H ASP A 20 9.025 -26.849 -16.532 1.00 31.11 H new ATOM 0 HA ASP A 20 6.245 -27.102 -17.512 1.00 60.31 H new ATOM 0 HB2 ASP A 20 8.798 -26.782 -18.825 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.152 -28.358 -19.237 1.00 72.22 H new ATOM 327 N PRO A 21 6.090 -29.604 -17.286 1.00 3.01 N ATOM 328 CA PRO A 21 5.902 -31.011 -16.926 1.00 51.32 C ATOM 329 C PRO A 21 6.738 -31.948 -17.791 1.00 31.01 C ATOM 330 O PRO A 21 6.918 -33.120 -17.461 1.00 73.52 O ATOM 331 CB PRO A 21 4.410 -31.245 -17.174 1.00 40.32 C ATOM 332 CG PRO A 21 4.033 -30.229 -18.197 1.00 41.15 C ATOM 333 CD PRO A 21 4.895 -29.028 -17.924 1.00 41.12 C ATOM 0 HA PRO A 21 6.215 -31.214 -15.902 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.222 -32.257 -17.533 1.00 40.32 H new ATOM 0 HB3 PRO A 21 3.832 -31.119 -16.259 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.201 -30.609 -19.205 1.00 41.15 H new ATOM 0 HG3 PRO A 21 2.975 -29.975 -18.124 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.146 -28.497 -18.842 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.394 -28.314 -17.269 1.00 41.12 H new ATOM 341 N ALA A 22 7.249 -31.424 -18.900 1.00 74.25 N ATOM 342 CA ALA A 22 8.069 -32.211 -19.811 1.00 71.25 C ATOM 343 C ALA A 22 9.462 -32.444 -19.235 1.00 24.44 C ATOM 344 O ALA A 22 10.258 -33.194 -19.797 1.00 64.13 O ATOM 345 CB ALA A 22 8.164 -31.525 -21.166 1.00 74.40 C ATOM 0 H ALA A 22 7.109 -30.456 -19.189 1.00 74.25 H new ATOM 0 HA ALA A 22 7.591 -33.182 -19.941 1.00 71.25 H new ATOM 0 HB1 ALA A 22 8.780 -32.125 -21.835 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.166 -31.418 -21.590 1.00 74.40 H new ATOM 0 HB3 ALA A 22 8.614 -30.540 -21.044 1.00 74.40 H new ATOM 351 N ASN A 23 9.749 -31.795 -18.112 1.00 31.42 N ATOM 352 CA ASN A 23 11.046 -31.930 -17.461 1.00 33.21 C ATOM 353 C ASN A 23 11.056 -31.212 -16.114 1.00 71.22 C ATOM 354 O ASN A 23 11.140 -29.986 -16.052 1.00 21.44 O ATOM 355 CB ASN A 23 12.151 -31.368 -18.358 1.00 24.34 C ATOM 356 CG ASN A 23 13.516 -31.428 -17.700 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.278 -30.461 -17.738 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.831 -32.565 -17.092 1.00 44.13 N ATOM 0 H ASN A 23 9.100 -31.170 -17.634 1.00 31.42 H new ATOM 0 HA ASN A 23 11.230 -32.991 -17.290 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.176 -31.928 -19.293 1.00 24.34 H new ATOM 0 HB3 ASN A 23 11.918 -30.334 -18.612 1.00 24.34 H new ATOM 0 HD21 ASN A 23 14.736 -32.663 -16.631 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.168 -33.340 -17.085 1.00 44.13 H new ATOM 365 N ARG A 24 10.972 -31.987 -15.037 1.00 31.34 N ATOM 366 CA ARG A 24 10.970 -31.427 -13.691 1.00 3.31 C ATOM 367 C ARG A 24 12.109 -32.009 -12.859 1.00 41.40 C ATOM 368 O ARG A 24 12.830 -32.897 -13.312 1.00 60.52 O ATOM 369 CB ARG A 24 9.630 -31.699 -13.004 1.00 43.24 C ATOM 370 CG ARG A 24 8.427 -31.249 -13.816 1.00 73.04 C ATOM 371 CD ARG A 24 7.964 -29.861 -13.402 1.00 15.52 C ATOM 372 NE ARG A 24 9.019 -29.111 -12.726 1.00 53.32 N ATOM 373 CZ ARG A 24 9.854 -28.291 -13.352 1.00 20.53 C ATOM 374 NH1 ARG A 24 9.759 -28.115 -14.663 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 10.788 -27.643 -12.667 1.00 32.13 N ATOM 0 H ARG A 24 10.904 -33.004 -15.071 1.00 31.34 H new ATOM 0 HA ARG A 24 11.116 -30.350 -13.772 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.544 -32.767 -12.804 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.617 -31.192 -12.039 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.682 -31.248 -14.876 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.611 -31.960 -13.685 1.00 73.04 H new ATOM 0 HD2 ARG A 24 7.636 -29.310 -14.284 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.101 -29.949 -12.742 1.00 15.52 H new ATOM 0 HE ARG A 24 9.120 -29.224 -11.717 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.043 -28.611 -15.194 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.402 -27.484 -15.141 1.00 42.41 H new ATOM 0 HH21 ARG A 24 10.865 -27.775 -11.658 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.429 -27.013 -13.149 1.00 32.13 H new ATOM 389 N GLN A 25 12.264 -31.501 -11.641 1.00 23.44 N ATOM 390 CA GLN A 25 13.316 -31.969 -10.747 1.00 3.41 C ATOM 391 C GLN A 25 12.732 -32.436 -9.417 1.00 43.32 C ATOM 392 O GLN A 25 12.779 -33.622 -9.089 1.00 3.03 O ATOM 393 CB GLN A 25 14.341 -30.860 -10.505 1.00 73.40 C ATOM 394 CG GLN A 25 15.599 -31.337 -9.797 1.00 65.05 C ATOM 395 CD GLN A 25 16.744 -31.601 -10.755 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.828 -32.670 -11.361 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.634 -30.626 -10.897 1.00 12.31 N ATOM 0 H GLN A 25 11.675 -30.766 -11.251 1.00 23.44 H new ATOM 0 HA GLN A 25 13.812 -32.815 -11.223 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.618 -30.418 -11.462 1.00 73.40 H new ATOM 0 HB3 GLN A 25 13.877 -30.071 -9.912 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.906 -30.588 -9.067 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.376 -32.249 -9.243 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.525 -29.756 -10.375 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.426 -30.747 -11.528 1.00 12.31 H new ATOM 406 N VAL A 26 12.182 -31.497 -8.654 1.00 53.35 N ATOM 407 CA VAL A 26 11.589 -31.812 -7.361 1.00 53.24 C ATOM 408 C VAL A 26 10.357 -30.954 -7.097 1.00 23.30 C ATOM 409 O VAL A 26 10.460 -29.740 -6.924 1.00 23.40 O ATOM 410 CB VAL A 26 12.597 -31.608 -6.215 1.00 62.44 C ATOM 411 CG1 VAL A 26 11.925 -31.818 -4.867 1.00 24.22 C ATOM 412 CG2 VAL A 26 13.786 -32.543 -6.379 1.00 61.33 C ATOM 0 H VAL A 26 12.135 -30.511 -8.910 1.00 53.35 H new ATOM 0 HA VAL A 26 11.297 -32.862 -7.396 1.00 53.24 H new ATOM 0 HB VAL A 26 12.962 -30.582 -6.255 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.654 -31.669 -4.070 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.110 -31.103 -4.751 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.529 -32.832 -4.812 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.488 -32.385 -5.561 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.440 -33.577 -6.367 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.282 -32.338 -7.328 1.00 61.33 H new ATOM 422 N GLU A 27 9.192 -31.593 -7.069 1.00 51.22 N ATOM 423 CA GLU A 27 7.939 -30.887 -6.827 1.00 53.14 C ATOM 424 C GLU A 27 7.376 -31.234 -5.452 1.00 20.43 C ATOM 425 O GLU A 27 7.186 -32.405 -5.124 1.00 21.25 O ATOM 426 CB GLU A 27 6.916 -31.231 -7.911 1.00 64.43 C ATOM 427 CG GLU A 27 7.534 -31.467 -9.280 1.00 1.54 C ATOM 428 CD GLU A 27 7.872 -32.926 -9.524 1.00 23.31 C ATOM 429 OE1 GLU A 27 7.786 -33.721 -8.565 1.00 13.03 O ATOM 430 OE2 GLU A 27 8.221 -33.270 -10.672 1.00 0.53 O1- ATOM 0 H GLU A 27 9.090 -32.598 -7.211 1.00 51.22 H new ATOM 0 HA GLU A 27 8.143 -29.817 -6.857 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.368 -32.124 -7.611 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.191 -30.421 -7.984 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.843 -31.124 -10.050 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.439 -30.867 -9.374 1.00 1.54 H new ATOM 437 N HIS A 28 7.110 -30.207 -4.651 1.00 1.34 N ATOM 438 CA HIS A 28 6.569 -30.401 -3.311 1.00 23.23 C ATOM 439 C HIS A 28 6.131 -29.072 -2.703 1.00 12.45 C ATOM 440 O HIS A 28 6.270 -28.019 -3.324 1.00 2.54 O ATOM 441 CB HIS A 28 7.608 -31.070 -2.411 1.00 64.15 C ATOM 442 CG HIS A 28 7.208 -32.436 -1.945 1.00 70.02 C ATOM 443 ND1 HIS A 28 7.907 -33.578 -2.275 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.175 -32.839 -1.169 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.318 -34.625 -1.723 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.266 -34.204 -1.046 1.00 63.45 N ATOM 0 H HIS A 28 7.261 -29.231 -4.907 1.00 1.34 H new ATOM 0 HA HIS A 28 5.696 -31.049 -3.389 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.552 -31.142 -2.951 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.785 -30.436 -1.542 1.00 64.15 H new ATOM 0 HD2 HIS A 28 5.420 -32.205 -0.728 1.00 51.55 H new ATOM 0 HE1 HIS A 28 7.643 -35.651 -1.811 1.00 15.35 H new ATOM 0 HE2 HIS A 28 5.625 -34.796 -0.518 1.00 63.45 H new ATOM 454 N VAL A 29 5.600 -29.131 -1.487 1.00 54.23 N ATOM 455 CA VAL A 29 5.141 -27.931 -0.794 1.00 31.14 C ATOM 456 C VAL A 29 6.248 -27.341 0.072 1.00 41.44 C ATOM 457 O VAL A 29 6.850 -28.037 0.890 1.00 25.11 O ATOM 458 CB VAL A 29 3.915 -28.228 0.089 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.482 -26.977 0.839 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.773 -28.776 -0.753 1.00 5.11 C ATOM 0 H VAL A 29 5.476 -29.996 -0.960 1.00 54.23 H new ATOM 0 HA VAL A 29 4.860 -27.209 -1.561 1.00 31.14 H new ATOM 0 HB VAL A 29 4.192 -28.985 0.822 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.614 -27.206 1.458 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.299 -26.632 1.473 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.222 -26.196 0.124 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.915 -28.980 -0.113 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.495 -28.043 -1.510 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.090 -29.698 -1.240 1.00 5.11 H new ATOM 470 N TYR A 30 6.511 -26.052 -0.112 1.00 54.15 N ATOM 471 CA TYR A 30 7.547 -25.366 0.652 1.00 42.42 C ATOM 472 C TYR A 30 6.934 -24.358 1.618 1.00 53.31 C ATOM 473 O TYR A 30 5.735 -24.081 1.569 1.00 71.04 O ATOM 474 CB TYR A 30 8.521 -24.658 -0.291 1.00 40.44 C ATOM 475 CG TYR A 30 9.574 -25.574 -0.873 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.216 -26.730 -1.556 1.00 23.33 C ATOM 477 CD2 TYR A 30 10.926 -25.285 -0.739 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.174 -27.571 -2.089 1.00 42.43 C ATOM 479 CE2 TYR A 30 11.892 -26.120 -1.269 1.00 50.54 C ATOM 480 CZ TYR A 30 11.510 -27.261 -1.943 1.00 32.12 C ATOM 481 OH TYR A 30 12.469 -28.095 -2.471 1.00 33.15 O ATOM 0 H TYR A 30 6.021 -25.461 -0.784 1.00 54.15 H new ATOM 0 HA TYR A 30 8.090 -26.113 1.231 1.00 42.42 H new ATOM 0 HB2 TYR A 30 7.958 -24.202 -1.105 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.013 -23.849 0.249 1.00 40.44 H new ATOM 0 HD1 TYR A 30 8.171 -26.975 -1.672 1.00 23.33 H new ATOM 0 HD2 TYR A 30 11.228 -24.392 -0.211 1.00 63.54 H new ATOM 0 HE1 TYR A 30 9.878 -28.466 -2.617 1.00 42.43 H new ATOM 0 HE2 TYR A 30 12.939 -25.880 -1.156 1.00 50.54 H new ATOM 0 HH TYR A 30 13.259 -27.570 -2.718 1.00 33.15 H new ATOM 491 N LYS A 31 7.765 -23.809 2.497 1.00 21.53 N ATOM 492 CA LYS A 31 7.308 -22.828 3.475 1.00 33.30 C ATOM 493 C LYS A 31 8.271 -21.647 3.552 1.00 72.40 C ATOM 494 O LYS A 31 9.485 -21.828 3.646 1.00 42.23 O ATOM 495 CB LYS A 31 7.171 -23.478 4.854 1.00 30.01 C ATOM 496 CG LYS A 31 5.834 -23.210 5.522 1.00 12.24 C ATOM 497 CD LYS A 31 5.716 -23.941 6.849 1.00 72.33 C ATOM 498 CE LYS A 31 6.663 -23.363 7.890 1.00 1.42 C ATOM 499 NZ LYS A 31 6.647 -24.152 9.153 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.760 -24.027 2.553 1.00 21.53 H new ATOM 0 HA LYS A 31 6.333 -22.460 3.155 1.00 33.30 H new ATOM 0 HB2 LYS A 31 7.309 -24.555 4.754 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.970 -23.113 5.499 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.716 -22.139 5.684 1.00 12.24 H new ATOM 0 HG3 LYS A 31 5.027 -23.523 4.860 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.690 -23.875 7.212 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.935 -24.999 6.704 1.00 72.33 H new ATOM 0 HE2 LYS A 31 7.676 -23.342 7.488 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.383 -22.331 8.103 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 6.838 -23.522 9.958 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 5.714 -24.595 9.274 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 7.378 -24.890 9.110 1.00 74.42 H new ATOM 513 N PHE A 32 7.720 -20.439 3.512 1.00 21.34 N ATOM 514 CA PHE A 32 8.531 -19.227 3.579 1.00 31.43 C ATOM 515 C PHE A 32 8.006 -18.280 4.653 1.00 73.13 C ATOM 516 O PHE A 32 6.898 -17.754 4.545 1.00 30.25 O ATOM 517 CB PHE A 32 8.542 -18.521 2.222 1.00 2.44 C ATOM 518 CG PHE A 32 9.894 -18.500 1.568 1.00 52.35 C ATOM 519 CD1 PHE A 32 11.035 -18.250 2.314 1.00 34.32 C ATOM 520 CD2 PHE A 32 10.025 -18.732 0.208 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.280 -18.229 1.715 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.268 -18.712 -0.397 1.00 15.23 C ATOM 523 CZ PHE A 32 12.397 -18.462 0.358 1.00 34.24 C ATOM 0 H PHE A 32 6.717 -20.272 3.434 1.00 21.34 H new ATOM 0 HA PHE A 32 9.549 -19.515 3.840 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.834 -19.016 1.558 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.194 -17.496 2.352 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.950 -18.070 3.375 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.145 -18.931 -0.386 1.00 25.20 H new ATOM 0 HE1 PHE A 32 13.161 -18.031 2.307 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.356 -18.892 -1.458 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.370 -18.449 -0.111 1.00 34.24 H new ATOM 533 N ARG A 33 8.810 -18.067 5.690 1.00 2.52 N ATOM 534 CA ARG A 33 8.427 -17.185 6.786 1.00 14.43 C ATOM 535 C ARG A 33 9.040 -15.799 6.607 1.00 75.14 C ATOM 536 O ARG A 33 10.213 -15.669 6.255 1.00 61.42 O ATOM 537 CB ARG A 33 8.864 -17.780 8.125 1.00 2.14 C ATOM 538 CG ARG A 33 7.711 -18.060 9.074 1.00 20.25 C ATOM 539 CD ARG A 33 7.920 -19.356 9.840 1.00 10.22 C ATOM 540 NE ARG A 33 7.171 -19.379 11.092 1.00 11.44 N ATOM 541 CZ ARG A 33 7.160 -20.415 11.925 1.00 10.32 C ATOM 542 NH1 ARG A 33 7.858 -21.506 11.638 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.454 -20.360 13.046 1.00 25.32 N ATOM 0 H ARG A 33 9.731 -18.493 5.794 1.00 2.52 H new ATOM 0 HA ARG A 33 7.341 -17.087 6.778 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.405 -18.708 7.941 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.561 -17.095 8.607 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.609 -17.233 9.777 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.780 -18.116 8.510 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.613 -20.198 9.219 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.982 -19.485 10.050 1.00 10.22 H new ATOM 0 HE ARG A 33 6.625 -18.554 11.342 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.404 -21.551 10.777 1.00 23.32 H new ATOM 0 HH12 ARG A 33 7.849 -22.300 12.278 1.00 23.32 H new ATOM 0 HH21 ARG A 33 5.918 -19.522 13.271 1.00 25.32 H new ATOM 0 HH22 ARG A 33 6.447 -21.156 13.684 1.00 25.32 H new ATOM 557 N ILE A 34 8.240 -14.768 6.853 1.00 62.22 N ATOM 558 CA ILE A 34 8.704 -13.392 6.720 1.00 24.14 C ATOM 559 C ILE A 34 8.697 -12.677 8.066 1.00 22.22 C ATOM 560 O ILE A 34 7.638 -12.328 8.592 1.00 15.22 O ATOM 561 CB ILE A 34 7.836 -12.598 5.725 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.864 -13.262 4.347 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.316 -11.158 5.635 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.260 -13.580 3.858 1.00 0.34 C ATOM 0 H ILE A 34 7.267 -14.859 7.146 1.00 62.22 H new ATOM 0 HA ILE A 34 9.725 -13.439 6.341 1.00 24.14 H new ATOM 0 HB ILE A 34 6.807 -12.595 6.085 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.282 -14.183 4.384 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.376 -12.606 3.626 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.693 -10.610 4.928 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.248 -10.690 6.617 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.352 -11.140 5.295 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.203 -14.049 2.876 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.839 -12.659 3.788 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.744 -14.261 4.558 1.00 0.34 H new ATOM 576 N THR A 35 9.884 -12.460 8.622 1.00 73.35 N ATOM 577 CA THR A 35 10.016 -11.786 9.907 1.00 10.14 C ATOM 578 C THR A 35 10.561 -10.373 9.733 1.00 21.43 C ATOM 579 O THR A 35 11.479 -10.145 8.947 1.00 61.13 O ATOM 580 CB THR A 35 10.943 -12.567 10.859 1.00 42.42 C ATOM 581 OG1 THR A 35 12.086 -13.048 10.144 1.00 61.24 O ATOM 582 CG2 THR A 35 10.204 -13.737 11.492 1.00 21.42 C ATOM 0 H THR A 35 10.770 -12.742 8.202 1.00 73.35 H new ATOM 0 HA THR A 35 9.018 -11.737 10.342 1.00 10.14 H new ATOM 0 HB THR A 35 11.269 -11.892 11.650 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.671 -13.542 10.756 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.877 -14.274 12.160 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.351 -13.365 12.059 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.854 -14.412 10.711 1.00 21.42 H new ATOM 590 N GLN A 36 9.989 -9.429 10.474 1.00 63.41 N ATOM 591 CA GLN A 36 10.419 -8.037 10.401 1.00 14.20 C ATOM 592 C GLN A 36 11.185 -7.637 11.657 1.00 45.14 C ATOM 593 O GLN A 36 10.590 -7.299 12.680 1.00 5.11 O ATOM 594 CB GLN A 36 9.210 -7.118 10.213 1.00 55.11 C ATOM 595 CG GLN A 36 8.122 -7.322 11.254 1.00 62.44 C ATOM 596 CD GLN A 36 7.828 -6.064 12.046 1.00 40.34 C ATOM 597 OE1 GLN A 36 7.602 -4.996 11.474 1.00 43.51 O ATOM 598 NE2 GLN A 36 7.828 -6.181 13.368 1.00 20.34 N ATOM 0 H GLN A 36 9.228 -9.602 11.131 1.00 63.41 H new ATOM 0 HA GLN A 36 11.084 -7.933 9.544 1.00 14.20 H new ATOM 0 HB2 GLN A 36 9.544 -6.081 10.247 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.788 -7.285 9.222 1.00 55.11 H new ATOM 0 HG2 GLN A 36 7.210 -7.657 10.760 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.423 -8.115 11.938 1.00 62.44 H new ATOM 0 HE21 GLN A 36 8.020 -7.085 13.800 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.636 -5.367 13.952 1.00 20.34 H new ATOM 607 N GLY A 37 12.511 -7.677 11.573 1.00 64.45 N ATOM 608 CA GLY A 37 13.338 -7.318 12.710 1.00 34.24 C ATOM 609 C GLY A 37 13.584 -8.487 13.642 1.00 24.32 C ATOM 610 O GLY A 37 14.729 -8.808 13.960 1.00 10.20 O ATOM 0 H GLY A 37 13.027 -7.952 10.737 1.00 64.45 H new ATOM 0 HA2 GLY A 37 14.294 -6.935 12.353 1.00 34.24 H new ATOM 0 HA3 GLY A 37 12.858 -6.511 13.264 1.00 34.24 H new ATOM 614 N GLY A 38 12.505 -9.128 14.084 1.00 74.12 N ATOM 615 CA GLY A 38 12.630 -10.260 14.982 1.00 13.31 C ATOM 616 C GLY A 38 11.329 -11.023 15.139 1.00 0.22 C ATOM 617 O GLY A 38 11.331 -12.206 15.481 1.00 3.34 O ATOM 0 H GLY A 38 11.547 -8.882 13.835 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.400 -10.934 14.607 1.00 13.31 H new ATOM 0 HA3 GLY A 38 12.962 -9.910 15.959 1.00 13.31 H new ATOM 621 N LYS A 39 10.214 -10.345 14.889 1.00 34.44 N ATOM 622 CA LYS A 39 8.900 -10.964 15.004 1.00 44.41 C ATOM 623 C LYS A 39 8.302 -11.233 13.627 1.00 41.22 C ATOM 624 O LYS A 39 8.356 -10.382 12.739 1.00 21.13 O ATOM 625 CB LYS A 39 7.960 -10.068 15.814 1.00 12.35 C ATOM 626 CG LYS A 39 7.045 -10.836 16.752 1.00 61.01 C ATOM 627 CD LYS A 39 6.223 -9.899 17.620 1.00 62.52 C ATOM 628 CE LYS A 39 6.882 -9.668 18.971 1.00 2.21 C ATOM 629 NZ LYS A 39 6.817 -8.239 19.383 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.195 -9.365 14.605 1.00 34.44 H new ATOM 0 HA LYS A 39 9.019 -11.916 15.521 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.555 -9.364 16.396 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.351 -9.480 15.127 1.00 12.35 H new ATOM 0 HG2 LYS A 39 6.379 -11.473 16.171 1.00 61.01 H new ATOM 0 HG3 LYS A 39 7.641 -11.492 17.386 1.00 61.01 H new ATOM 0 HD2 LYS A 39 6.096 -8.945 17.108 1.00 62.52 H new ATOM 0 HD3 LYS A 39 5.227 -10.317 17.767 1.00 62.52 H new ATOM 0 HE2 LYS A 39 6.393 -10.286 19.724 1.00 2.21 H new ATOM 0 HE3 LYS A 39 7.924 -9.986 18.926 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 7.277 -8.123 20.309 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 7.306 -7.652 18.678 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 5.823 -7.942 19.451 1.00 31.32 H new ATOM 643 N VAL A 40 7.731 -12.421 13.455 1.00 13.33 N ATOM 644 CA VAL A 40 7.121 -12.800 12.187 1.00 41.44 C ATOM 645 C VAL A 40 6.022 -11.820 11.791 1.00 63.31 C ATOM 646 O VAL A 40 5.115 -11.539 12.574 1.00 63.13 O ATOM 647 CB VAL A 40 6.528 -14.220 12.251 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.474 -14.310 13.344 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.945 -14.616 10.903 1.00 51.40 C ATOM 0 H VAL A 40 7.678 -13.138 14.179 1.00 13.33 H new ATOM 0 HA VAL A 40 7.912 -12.778 11.437 1.00 41.44 H new ATOM 0 HB VAL A 40 7.329 -14.918 12.493 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.066 -15.320 13.374 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.927 -14.073 14.307 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.672 -13.601 13.136 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.531 -15.622 10.967 1.00 51.40 H new ATOM 0 HG22 VAL A 40 5.156 -13.916 10.628 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.730 -14.594 10.147 1.00 51.40 H new ATOM 659 N VAL A 41 6.111 -11.303 10.569 1.00 34.35 N ATOM 660 CA VAL A 41 5.123 -10.355 10.068 1.00 44.34 C ATOM 661 C VAL A 41 4.034 -11.066 9.273 1.00 12.15 C ATOM 662 O VAL A 41 2.879 -10.639 9.261 1.00 4.11 O ATOM 663 CB VAL A 41 5.776 -9.283 9.177 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.894 -9.778 7.743 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.985 -7.985 9.238 1.00 22.42 C ATOM 0 H VAL A 41 6.856 -11.525 9.909 1.00 34.35 H new ATOM 0 HA VAL A 41 4.678 -9.872 10.938 1.00 44.34 H new ATOM 0 HB VAL A 41 6.781 -9.088 9.552 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.358 -9.006 7.129 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.507 -10.679 7.718 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.901 -10.004 7.353 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.461 -7.239 8.602 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.967 -8.162 8.890 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.959 -7.623 10.266 1.00 22.42 H new ATOM 675 N LYS A 42 4.408 -12.154 8.608 1.00 42.43 N ATOM 676 CA LYS A 42 3.464 -12.927 7.810 1.00 33.55 C ATOM 677 C LYS A 42 4.125 -14.181 7.248 1.00 43.41 C ATOM 678 O LYS A 42 5.332 -14.205 7.011 1.00 1.03 O ATOM 679 CB LYS A 42 2.912 -12.073 6.666 1.00 52.12 C ATOM 680 CG LYS A 42 1.400 -11.924 6.694 1.00 64.32 C ATOM 681 CD LYS A 42 0.986 -10.516 7.089 1.00 52.31 C ATOM 682 CE LYS A 42 0.118 -10.521 8.339 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.334 -10.515 8.005 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.360 -12.521 8.606 1.00 42.43 H new ATOM 0 HA LYS A 42 2.642 -13.230 8.459 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.367 -11.084 6.710 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.208 -12.518 5.716 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.992 -12.162 5.712 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.976 -12.640 7.398 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.875 -9.910 7.264 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.440 -10.052 6.267 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.349 -11.401 8.938 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.354 -9.649 8.949 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.892 -10.519 8.883 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -1.560 -9.662 7.454 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.565 -11.360 7.444 1.00 13.02 H new ATOM 697 N ASN A 43 3.325 -15.222 7.037 1.00 34.54 N ATOM 698 CA ASN A 43 3.834 -16.480 6.502 1.00 55.25 C ATOM 699 C ASN A 43 3.657 -16.538 4.987 1.00 40.53 C ATOM 700 O ASN A 43 2.830 -15.824 4.422 1.00 31.40 O ATOM 701 CB ASN A 43 3.118 -17.663 7.156 1.00 53.41 C ATOM 702 CG ASN A 43 2.953 -17.483 8.653 1.00 44.33 C ATOM 703 OD1 ASN A 43 2.194 -16.626 9.106 1.00 24.42 O ATOM 704 ND2 ASN A 43 3.666 -18.292 9.428 1.00 72.11 N ATOM 0 H ASN A 43 2.323 -15.219 7.228 1.00 34.54 H new ATOM 0 HA ASN A 43 4.899 -16.538 6.728 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.137 -17.789 6.698 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.680 -18.577 6.962 1.00 53.41 H new ATOM 0 HD21 ASN A 43 3.597 -18.218 10.443 1.00 72.11 H new ATOM 0 HD22 ASN A 43 4.282 -18.988 9.008 1.00 72.11 H new ATOM 711 N TRP A 44 4.439 -17.393 4.338 1.00 22.12 N ATOM 712 CA TRP A 44 4.368 -17.545 2.890 1.00 23.21 C ATOM 713 C TRP A 44 4.450 -19.015 2.492 1.00 15.33 C ATOM 714 O TRP A 44 5.080 -19.819 3.178 1.00 44.21 O ATOM 715 CB TRP A 44 5.494 -16.758 2.218 1.00 45.14 C ATOM 716 CG TRP A 44 5.014 -15.541 1.487 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.722 -15.445 0.157 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.772 -14.245 2.046 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.313 -14.169 -0.145 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.334 -13.413 0.997 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.881 -13.708 3.332 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.008 -12.075 1.196 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.557 -12.378 3.527 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.124 -11.574 2.464 1.00 1.02 C ATOM 0 H TRP A 44 5.129 -17.991 4.792 1.00 22.12 H new ATOM 0 HA TRP A 44 3.409 -17.150 2.555 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.218 -16.456 2.975 1.00 45.14 H new ATOM 0 HB3 TRP A 44 6.016 -17.411 1.519 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.801 -16.254 -0.554 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.038 -13.838 -1.070 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.212 -14.320 4.158 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.675 -11.453 0.378 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.639 -11.951 4.516 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.877 -10.539 2.649 1.00 1.02 H new ATOM 735 N VAL A 45 3.811 -19.360 1.379 1.00 5.25 N ATOM 736 CA VAL A 45 3.814 -20.733 0.889 1.00 60.54 C ATOM 737 C VAL A 45 4.187 -20.789 -0.589 1.00 5.42 C ATOM 738 O VAL A 45 3.780 -19.935 -1.375 1.00 33.13 O ATOM 739 CB VAL A 45 2.441 -21.401 1.086 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.339 -22.669 0.250 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.201 -21.703 2.557 1.00 33.43 C ATOM 0 H VAL A 45 3.284 -18.707 0.799 1.00 5.25 H new ATOM 0 HA VAL A 45 4.561 -21.275 1.470 1.00 60.54 H new ATOM 0 HB VAL A 45 1.669 -20.709 0.750 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.362 -23.127 0.402 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.463 -22.421 -0.804 1.00 0.31 H new ATOM 0 HG13 VAL A 45 3.119 -23.368 0.553 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.226 -22.175 2.677 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.977 -22.376 2.922 1.00 33.43 H new ATOM 0 HG23 VAL A 45 2.228 -20.775 3.128 1.00 33.43 H new ATOM 751 N MET A 46 4.966 -21.801 -0.958 1.00 62.23 N ATOM 752 CA MET A 46 5.393 -21.969 -2.342 1.00 35.14 C ATOM 753 C MET A 46 4.623 -23.101 -3.015 1.00 72.04 C ATOM 754 O MET A 46 4.897 -24.278 -2.776 1.00 51.41 O ATOM 755 CB MET A 46 6.895 -22.251 -2.404 1.00 33.01 C ATOM 756 CG MET A 46 7.615 -21.474 -3.494 1.00 43.13 C ATOM 757 SD MET A 46 8.543 -20.068 -2.849 1.00 65.24 S ATOM 758 CE MET A 46 10.167 -20.798 -2.652 1.00 25.52 C ATOM 0 H MET A 46 5.314 -22.516 -0.319 1.00 62.23 H new ATOM 0 HA MET A 46 5.182 -21.042 -2.876 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.342 -22.008 -1.440 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.050 -23.318 -2.567 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.296 -22.142 -4.022 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.887 -21.120 -4.224 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.927 -20.087 -2.975 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.328 -21.050 -1.604 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.235 -21.702 -3.257 1.00 25.52 H new ATOM 768 N ASP A 47 3.660 -22.739 -3.855 1.00 71.12 N ATOM 769 CA ASP A 47 2.851 -23.725 -4.562 1.00 32.40 C ATOM 770 C ASP A 47 3.569 -24.218 -5.815 1.00 53.15 C ATOM 771 O ASP A 47 3.409 -23.654 -6.898 1.00 2.25 O ATOM 772 CB ASP A 47 1.495 -23.128 -4.938 1.00 13.44 C ATOM 773 CG ASP A 47 0.361 -24.123 -4.786 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.635 -25.341 -4.808 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.799 -23.684 -4.646 1.00 72.40 O ATOM 0 H ASP A 47 3.420 -21.770 -4.063 1.00 71.12 H new ATOM 0 HA ASP A 47 2.693 -24.574 -3.897 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.298 -22.259 -4.311 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.530 -22.776 -5.969 1.00 13.44 H new ATOM 780 N LEU A 48 4.361 -25.274 -5.660 1.00 3.45 N ATOM 781 CA LEU A 48 5.104 -25.844 -6.778 1.00 34.13 C ATOM 782 C LEU A 48 4.192 -26.683 -7.666 1.00 74.54 C ATOM 783 O LEU A 48 4.597 -27.137 -8.737 1.00 65.54 O ATOM 784 CB LEU A 48 6.263 -26.698 -6.263 1.00 41.41 C ATOM 785 CG LEU A 48 7.480 -25.934 -5.740 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.230 -25.433 -4.327 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.721 -26.814 -5.785 1.00 24.33 C ATOM 0 H LEU A 48 4.505 -25.752 -4.771 1.00 3.45 H new ATOM 0 HA LEU A 48 5.504 -25.023 -7.374 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.889 -27.337 -5.463 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.590 -27.355 -7.069 1.00 41.41 H new ATOM 0 HG LEU A 48 7.647 -25.071 -6.384 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.107 -24.892 -3.972 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.367 -24.767 -4.324 1.00 72.14 H new ATOM 0 HD13 LEU A 48 7.036 -26.280 -3.669 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.578 -26.254 -5.409 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.564 -27.697 -5.165 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.911 -27.122 -6.813 1.00 24.33 H new ATOM 799 N LYS A 49 2.959 -26.886 -7.216 1.00 53.41 N ATOM 800 CA LYS A 49 1.987 -27.669 -7.970 1.00 44.45 C ATOM 801 C LYS A 49 1.289 -26.807 -9.017 1.00 13.33 C ATOM 802 O LYS A 49 1.298 -27.127 -10.205 1.00 1.23 O ATOM 803 CB LYS A 49 0.952 -28.282 -7.025 1.00 43.22 C ATOM 804 CG LYS A 49 1.084 -29.788 -6.872 1.00 30.32 C ATOM 805 CD LYS A 49 0.194 -30.316 -5.760 1.00 53.45 C ATOM 806 CE LYS A 49 -1.186 -30.691 -6.280 1.00 64.21 C ATOM 807 NZ LYS A 49 -2.083 -31.157 -5.187 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.608 -26.519 -6.331 1.00 53.41 H new ATOM 0 HA LYS A 49 2.521 -28.470 -8.482 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.047 -27.816 -6.044 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.047 -28.049 -7.393 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.821 -30.274 -7.811 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.122 -30.043 -6.660 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.661 -31.188 -5.302 1.00 53.45 H new ATOM 0 HD3 LYS A 49 0.097 -29.560 -4.980 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.634 -29.829 -6.775 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -1.090 -31.476 -7.031 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -3.013 -31.403 -5.582 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -1.668 -31.995 -4.731 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -2.195 -30.400 -4.483 1.00 62.40 H new ATOM 821 N ASN A 50 0.685 -25.712 -8.567 1.00 2.35 N ATOM 822 CA ASN A 50 -0.018 -24.803 -9.465 1.00 41.40 C ATOM 823 C ASN A 50 0.949 -23.802 -10.092 1.00 40.41 C ATOM 824 O ASN A 50 0.587 -23.061 -11.007 1.00 2.41 O ATOM 825 CB ASN A 50 -1.122 -24.059 -8.711 1.00 14.33 C ATOM 826 CG ASN A 50 -2.499 -24.629 -8.995 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.687 -25.845 -9.020 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.469 -23.747 -9.210 1.00 4.23 N ATOM 0 H ASN A 50 0.668 -25.433 -7.586 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.468 -25.395 -10.262 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.925 -24.109 -7.640 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.103 -23.005 -8.990 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.417 -24.069 -9.406 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.266 -22.748 -9.179 1.00 4.23 H new ATOM 835 N VAL A 51 2.181 -23.784 -9.592 1.00 64.11 N ATOM 836 CA VAL A 51 3.200 -22.876 -10.102 1.00 54.52 C ATOM 837 C VAL A 51 2.859 -21.427 -9.773 1.00 42.10 C ATOM 838 O VAL A 51 2.972 -20.542 -10.621 1.00 10.33 O ATOM 839 CB VAL A 51 3.366 -23.019 -11.627 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.685 -22.412 -12.080 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.273 -24.480 -12.038 1.00 50.43 C ATOM 0 H VAL A 51 2.497 -24.389 -8.834 1.00 64.11 H new ATOM 0 HA VAL A 51 4.137 -23.145 -9.615 1.00 54.52 H new ATOM 0 HB VAL A 51 2.557 -22.476 -12.116 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.785 -22.522 -13.160 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.707 -21.354 -11.820 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.510 -22.924 -11.585 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.392 -24.562 -13.118 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.060 -25.048 -11.542 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.300 -24.878 -11.749 1.00 50.43 H new ATOM 851 N LYS A 52 2.442 -21.190 -8.534 1.00 54.43 N ATOM 852 CA LYS A 52 2.087 -19.848 -8.090 1.00 32.42 C ATOM 853 C LYS A 52 2.392 -19.667 -6.606 1.00 50.21 C ATOM 854 O LYS A 52 2.054 -20.519 -5.784 1.00 11.15 O ATOM 855 CB LYS A 52 0.604 -19.578 -8.352 1.00 21.22 C ATOM 856 CG LYS A 52 0.285 -18.111 -8.588 1.00 10.13 C ATOM 857 CD LYS A 52 -0.427 -17.902 -9.915 1.00 32.21 C ATOM 858 CE LYS A 52 -1.216 -16.601 -9.925 1.00 73.31 C ATOM 859 NZ LYS A 52 -1.303 -16.017 -11.291 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.342 -21.911 -7.819 1.00 54.43 H new ATOM 0 HA LYS A 52 2.686 -19.135 -8.656 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.286 -20.155 -9.221 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.023 -19.935 -7.502 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.340 -17.738 -7.776 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.207 -17.530 -8.573 1.00 10.13 H new ATOM 0 HD2 LYS A 52 0.304 -17.892 -10.724 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.100 -18.738 -10.104 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -2.221 -16.782 -9.543 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.744 -15.884 -9.253 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -1.848 -15.132 -11.256 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -0.345 -15.820 -11.646 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -1.776 -16.690 -11.927 1.00 35.03 H new ATOM 873 N LEU A 53 3.031 -18.552 -6.269 1.00 61.23 N ATOM 874 CA LEU A 53 3.380 -18.258 -4.884 1.00 12.34 C ATOM 875 C LEU A 53 2.211 -17.604 -4.154 1.00 64.35 C ATOM 876 O LEU A 53 1.543 -16.723 -4.695 1.00 64.45 O ATOM 877 CB LEU A 53 4.607 -17.346 -4.829 1.00 22.14 C ATOM 878 CG LEU A 53 5.932 -18.023 -4.476 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.350 -18.984 -5.578 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.015 -16.981 -4.235 1.00 42.33 C ATOM 0 H LEU A 53 3.318 -17.836 -6.937 1.00 61.23 H new ATOM 0 HA LEU A 53 3.613 -19.199 -4.386 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.717 -16.860 -5.798 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.418 -16.560 -4.098 1.00 22.14 H new ATOM 0 HG LEU A 53 5.794 -18.594 -3.558 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.295 -19.457 -5.310 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.584 -19.749 -5.703 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.471 -18.436 -6.512 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.951 -17.480 -3.985 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.152 -16.383 -5.136 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.719 -16.332 -3.411 1.00 42.33 H new ATOM 892 N VAL A 54 1.972 -18.038 -2.921 1.00 5.45 N ATOM 893 CA VAL A 54 0.886 -17.492 -2.116 1.00 41.23 C ATOM 894 C VAL A 54 1.327 -17.277 -0.673 1.00 45.12 C ATOM 895 O VAL A 54 2.347 -17.814 -0.239 1.00 72.40 O ATOM 896 CB VAL A 54 -0.345 -18.417 -2.132 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.741 -18.754 -3.561 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.070 -19.683 -1.335 1.00 11.01 C ATOM 0 H VAL A 54 2.516 -18.766 -2.458 1.00 5.45 H new ATOM 0 HA VAL A 54 0.616 -16.533 -2.558 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.178 -17.893 -1.663 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.613 -19.408 -3.552 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.982 -17.836 -4.098 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.087 -19.259 -4.059 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -0.950 -20.325 -1.357 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.776 -20.212 -1.773 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.162 -19.420 -0.303 1.00 11.01 H new ATOM 908 N GLU A 55 0.553 -16.489 0.066 1.00 21.23 N ATOM 909 CA GLU A 55 0.864 -16.203 1.462 1.00 34.21 C ATOM 910 C GLU A 55 -0.005 -17.040 2.396 1.00 31.12 C ATOM 911 O GLU A 55 -1.207 -16.806 2.518 1.00 24.40 O ATOM 912 CB GLU A 55 0.664 -14.715 1.758 1.00 60.31 C ATOM 913 CG GLU A 55 -0.642 -14.157 1.218 1.00 21.34 C ATOM 914 CD GLU A 55 -0.516 -13.648 -0.204 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.161 -12.617 -0.406 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.091 -14.278 -1.115 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.294 -16.037 -0.278 1.00 21.23 H new ATOM 0 HA GLU A 55 1.908 -16.463 1.635 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.697 -14.560 2.836 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.494 -14.153 1.330 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.407 -14.932 1.256 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -0.979 -13.345 1.862 1.00 21.34 H new ATOM 923 N SER A 56 0.614 -18.016 3.054 1.00 73.41 N ATOM 924 CA SER A 56 -0.104 -18.892 3.974 1.00 43.24 C ATOM 925 C SER A 56 0.871 -19.696 4.828 1.00 1.33 C ATOM 926 O SER A 56 2.064 -19.760 4.535 1.00 11.10 O ATOM 927 CB SER A 56 -1.023 -19.837 3.199 1.00 44.34 C ATOM 928 OG SER A 56 -2.361 -19.367 3.205 1.00 12.25 O ATOM 0 H SER A 56 1.610 -18.220 2.967 1.00 73.41 H new ATOM 0 HA SER A 56 -0.709 -18.270 4.633 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.671 -19.930 2.171 1.00 44.34 H new ATOM 0 HB3 SER A 56 -0.982 -20.833 3.641 1.00 44.34 H new ATOM 0 HG SER A 56 -2.374 -18.415 2.973 1.00 12.25 H new ATOM 934 N ASP A 57 0.352 -20.311 5.886 1.00 31.32 N ATOM 935 CA ASP A 57 1.174 -21.114 6.783 1.00 71.22 C ATOM 936 C ASP A 57 0.586 -22.510 6.956 1.00 51.13 C ATOM 937 O ASP A 57 -0.529 -22.668 7.453 1.00 50.20 O ATOM 938 CB ASP A 57 1.301 -20.428 8.144 1.00 63.23 C ATOM 939 CG ASP A 57 0.103 -19.556 8.466 1.00 3.54 C ATOM 940 OD1 ASP A 57 -1.030 -20.081 8.470 1.00 34.13 O ATOM 941 OD2 ASP A 57 0.299 -18.348 8.715 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.634 -20.268 6.143 1.00 31.32 H new ATOM 0 HA ASP A 57 2.165 -21.210 6.339 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.415 -21.185 8.920 1.00 63.23 H new ATOM 0 HB3 ASP A 57 2.205 -19.819 8.158 1.00 63.23 H new ATOM 946 N ASP A 58 1.342 -23.521 6.540 1.00 42.15 N ATOM 947 CA ASP A 58 0.896 -24.905 6.649 1.00 13.22 C ATOM 948 C ASP A 58 2.084 -25.848 6.816 1.00 50.02 C ATOM 949 O ASP A 58 3.227 -25.471 6.562 1.00 32.03 O ATOM 950 CB ASP A 58 0.085 -25.300 5.414 1.00 32.33 C ATOM 951 CG ASP A 58 -0.711 -24.140 4.848 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.750 -23.788 5.445 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -0.296 -23.586 3.809 1.00 62.33 O ATOM 0 H ASP A 58 2.266 -23.408 6.124 1.00 42.15 H new ATOM 0 HA ASP A 58 0.263 -24.988 7.532 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.759 -25.683 4.648 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.595 -26.111 5.674 1.00 32.33 H new ATOM 958 N ALA A 59 1.803 -27.073 7.246 1.00 54.42 N ATOM 959 CA ALA A 59 2.848 -28.070 7.446 1.00 64.04 C ATOM 960 C ALA A 59 3.536 -28.416 6.131 1.00 23.53 C ATOM 961 O ALA A 59 3.099 -29.312 5.408 1.00 64.14 O ATOM 962 CB ALA A 59 2.267 -29.322 8.087 1.00 20.01 C ATOM 0 H ALA A 59 0.861 -27.399 7.463 1.00 54.42 H new ATOM 0 HA ALA A 59 3.597 -27.647 8.116 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.058 -30.058 8.231 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.829 -29.067 9.052 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.497 -29.739 7.438 1.00 20.01 H new ATOM 968 N ALA A 60 4.614 -27.700 5.825 1.00 25.42 N ATOM 969 CA ALA A 60 5.362 -27.933 4.597 1.00 52.24 C ATOM 970 C ALA A 60 6.531 -28.883 4.837 1.00 52.10 C ATOM 971 O ALA A 60 7.076 -28.943 5.938 1.00 32.51 O ATOM 972 CB ALA A 60 5.861 -26.614 4.024 1.00 60.25 C ATOM 0 H ALA A 60 4.988 -26.954 6.412 1.00 25.42 H new ATOM 0 HA ALA A 60 4.691 -28.400 3.876 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.418 -26.803 3.107 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.011 -25.968 3.805 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.512 -26.125 4.749 1.00 60.25 H new ATOM 978 N GLU A 61 6.910 -29.623 3.800 1.00 12.15 N ATOM 979 CA GLU A 61 8.013 -30.570 3.901 1.00 60.24 C ATOM 980 C GLU A 61 9.328 -29.847 4.179 1.00 60.45 C ATOM 981 O GLU A 61 10.299 -30.455 4.627 1.00 34.32 O ATOM 982 CB GLU A 61 8.132 -31.388 2.613 1.00 40.01 C ATOM 983 CG GLU A 61 8.086 -32.890 2.839 1.00 60.43 C ATOM 984 CD GLU A 61 8.747 -33.669 1.719 1.00 63.55 C ATOM 985 OE1 GLU A 61 9.376 -33.035 0.847 1.00 10.35 O ATOM 986 OE2 GLU A 61 8.636 -34.913 1.715 1.00 4.32 O1- ATOM 0 H GLU A 61 6.469 -29.585 2.881 1.00 12.15 H new ATOM 0 HA GLU A 61 7.805 -31.243 4.733 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.324 -31.106 1.938 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.068 -31.132 2.115 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.579 -33.127 3.782 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.048 -33.208 2.934 1.00 60.43 H new ATOM 993 N ALA A 62 9.349 -28.547 3.911 1.00 4.02 N ATOM 994 CA ALA A 62 10.542 -27.739 4.134 1.00 60.23 C ATOM 995 C ALA A 62 10.176 -26.332 4.593 1.00 52.32 C ATOM 996 O ALA A 62 9.421 -25.626 3.925 1.00 12.21 O ATOM 997 CB ALA A 62 11.383 -27.680 2.867 1.00 14.02 C ATOM 0 H ALA A 62 8.553 -28.029 3.539 1.00 4.02 H new ATOM 0 HA ALA A 62 11.126 -28.210 4.925 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.271 -27.074 3.047 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.684 -28.688 2.583 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.798 -27.236 2.062 1.00 14.02 H new ATOM 1003 N THR A 63 10.716 -25.931 5.740 1.00 64.23 N ATOM 1004 CA THR A 63 10.444 -24.609 6.290 1.00 11.41 C ATOM 1005 C THR A 63 11.621 -23.667 6.064 1.00 73.24 C ATOM 1006 O THR A 63 12.762 -23.991 6.397 1.00 53.04 O ATOM 1007 CB THR A 63 10.140 -24.679 7.798 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.896 -25.355 8.017 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.079 -23.285 8.405 1.00 45.10 C ATOM 0 H THR A 63 11.344 -26.503 6.305 1.00 64.23 H new ATOM 0 HA THR A 63 9.568 -24.224 5.768 1.00 11.41 H new ATOM 0 HB THR A 63 10.944 -25.233 8.282 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.916 -25.802 8.889 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.863 -23.361 9.471 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.037 -22.784 8.264 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.293 -22.709 7.916 1.00 45.10 H new ATOM 1017 N LEU A 64 11.338 -22.499 5.498 1.00 31.21 N ATOM 1018 CA LEU A 64 12.374 -21.508 5.228 1.00 23.22 C ATOM 1019 C LEU A 64 12.031 -20.170 5.876 1.00 10.31 C ATOM 1020 O LEU A 64 11.167 -19.437 5.394 1.00 34.35 O ATOM 1021 CB LEU A 64 12.553 -21.325 3.720 1.00 42.20 C ATOM 1022 CG LEU A 64 13.033 -22.554 2.947 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.978 -23.001 1.947 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.349 -22.261 2.242 1.00 33.52 C ATOM 0 H LEU A 64 10.400 -22.215 5.217 1.00 31.21 H new ATOM 0 HA LEU A 64 13.308 -21.870 5.657 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.601 -21.004 3.298 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.264 -20.516 3.554 1.00 42.20 H new ATOM 0 HG LEU A 64 13.198 -23.364 3.657 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.337 -23.877 1.406 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.059 -23.253 2.476 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.781 -22.194 1.241 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.675 -23.147 1.697 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.212 -21.436 1.543 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.104 -21.990 2.980 1.00 33.52 H new ATOM 1036 N THR A 65 12.714 -19.857 6.973 1.00 71.33 N ATOM 1037 CA THR A 65 12.482 -18.608 7.688 1.00 73.12 C ATOM 1038 C THR A 65 13.492 -17.543 7.274 1.00 14.11 C ATOM 1039 O THR A 65 14.697 -17.790 7.260 1.00 44.01 O ATOM 1040 CB THR A 65 12.562 -18.810 9.213 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.066 -20.107 9.561 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.760 -17.743 9.942 1.00 42.34 C ATOM 0 H THR A 65 13.433 -20.452 7.386 1.00 71.33 H new ATOM 0 HA THR A 65 11.478 -18.275 7.426 1.00 73.12 H new ATOM 0 HB THR A 65 13.606 -18.727 9.515 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.809 -20.745 9.588 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.831 -17.906 11.017 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.158 -16.758 9.697 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.716 -17.799 9.635 1.00 42.34 H new ATOM 1050 N MET A 66 12.991 -16.359 6.938 1.00 44.23 N ATOM 1051 CA MET A 66 13.851 -15.255 6.527 1.00 35.33 C ATOM 1052 C MET A 66 13.147 -13.917 6.721 1.00 74.32 C ATOM 1053 O MET A 66 11.919 -13.854 6.782 1.00 1.23 O ATOM 1054 CB MET A 66 14.264 -15.422 5.063 1.00 73.33 C ATOM 1055 CG MET A 66 15.249 -16.556 4.835 1.00 31.14 C ATOM 1056 SD MET A 66 15.880 -16.598 3.146 1.00 74.11 S ATOM 1057 CE MET A 66 16.134 -18.357 2.923 1.00 64.32 C ATOM 0 H MET A 66 11.995 -16.139 6.942 1.00 44.23 H new ATOM 0 HA MET A 66 14.744 -15.268 7.152 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.373 -15.599 4.461 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.707 -14.491 4.711 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.084 -16.452 5.528 1.00 31.14 H new ATOM 0 HG3 MET A 66 14.763 -17.505 5.061 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.872 -18.521 2.138 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.493 -18.794 3.855 1.00 64.32 H new ATOM 0 HE3 MET A 66 15.192 -18.828 2.641 1.00 64.32 H new ATOM 1067 N GLU A 67 13.933 -12.848 6.815 1.00 74.44 N ATOM 1068 CA GLU A 67 13.382 -11.510 7.003 1.00 65.21 C ATOM 1069 C GLU A 67 13.186 -10.810 5.661 1.00 21.25 C ATOM 1070 O GLU A 67 13.767 -11.207 4.651 1.00 71.54 O ATOM 1071 CB GLU A 67 14.303 -10.677 7.897 1.00 61.44 C ATOM 1072 CG GLU A 67 14.437 -11.221 9.309 1.00 20.41 C ATOM 1073 CD GLU A 67 15.383 -10.401 10.162 1.00 50.14 C ATOM 1074 OE1 GLU A 67 16.247 -9.705 9.591 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.260 -10.456 11.405 1.00 70.53 O ATOM 0 H GLU A 67 14.951 -12.882 6.764 1.00 74.44 H new ATOM 0 HA GLU A 67 12.410 -11.608 7.487 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.292 -10.628 7.440 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.923 -9.656 7.945 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.455 -11.243 9.781 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.793 -12.250 9.266 1.00 20.41 H new ATOM 1082 N ASP A 68 12.364 -9.766 5.661 1.00 21.12 N ATOM 1083 CA ASP A 68 12.092 -9.009 4.444 1.00 71.10 C ATOM 1084 C ASP A 68 13.389 -8.650 3.725 1.00 24.42 C ATOM 1085 O ASP A 68 13.590 -9.018 2.568 1.00 74.24 O ATOM 1086 CB ASP A 68 11.309 -7.737 4.775 1.00 64.02 C ATOM 1087 CG ASP A 68 10.083 -7.568 3.897 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.280 -8.519 3.810 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 9.928 -6.482 3.299 1.00 12.13 O ATOM 0 H ASP A 68 11.875 -9.425 6.489 1.00 21.12 H new ATOM 0 HA ASP A 68 11.493 -9.635 3.782 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.003 -7.764 5.821 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.960 -6.871 4.656 1.00 64.02 H new ATOM 1094 N ASP A 69 14.263 -7.930 4.417 1.00 45.41 N ATOM 1095 CA ASP A 69 15.541 -7.521 3.846 1.00 14.54 C ATOM 1096 C ASP A 69 16.276 -8.716 3.248 1.00 22.43 C ATOM 1097 O ASP A 69 16.849 -8.626 2.163 1.00 53.21 O ATOM 1098 CB ASP A 69 16.411 -6.851 4.911 1.00 1.15 C ATOM 1099 CG ASP A 69 16.507 -5.351 4.720 1.00 54.42 C ATOM 1100 OD1 ASP A 69 17.224 -4.915 3.794 1.00 74.02 O ATOM 1101 OD2 ASP A 69 15.865 -4.612 5.496 1.00 30.41 O1- ATOM 0 H ASP A 69 14.110 -7.617 5.376 1.00 45.41 H new ATOM 0 HA ASP A 69 15.341 -6.804 3.049 1.00 14.54 H new ATOM 0 HB2 ASP A 69 16.000 -7.063 5.898 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.411 -7.283 4.883 1.00 1.15 H new ATOM 1106 N ILE A 70 16.256 -9.835 3.965 1.00 1.14 N ATOM 1107 CA ILE A 70 16.921 -11.048 3.506 1.00 43.35 C ATOM 1108 C ILE A 70 16.385 -11.488 2.148 1.00 31.44 C ATOM 1109 O ILE A 70 17.144 -11.930 1.285 1.00 24.31 O ATOM 1110 CB ILE A 70 16.746 -12.201 4.512 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.621 -11.968 5.745 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.088 -13.531 3.858 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.101 -11.927 5.438 1.00 73.31 C ATOM 0 H ILE A 70 15.786 -9.926 4.866 1.00 1.14 H new ATOM 0 HA ILE A 70 17.981 -10.812 3.417 1.00 43.35 H new ATOM 0 HB ILE A 70 15.704 -12.231 4.829 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.330 -11.028 6.215 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.431 -12.759 6.470 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.959 -14.336 4.582 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.427 -13.699 3.007 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.123 -13.513 3.516 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.659 -11.759 6.359 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.407 -12.875 4.996 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.305 -11.118 4.737 1.00 73.31 H new ATOM 1125 N MET A 71 15.076 -11.361 1.965 1.00 71.51 N ATOM 1126 CA MET A 71 14.438 -11.743 0.710 1.00 43.30 C ATOM 1127 C MET A 71 15.024 -10.956 -0.457 1.00 65.43 C ATOM 1128 O MET A 71 15.309 -11.516 -1.517 1.00 75.00 O ATOM 1129 CB MET A 71 12.928 -11.514 0.789 1.00 72.31 C ATOM 1130 CG MET A 71 12.240 -12.353 1.854 1.00 1.33 C ATOM 1131 SD MET A 71 11.610 -13.913 1.209 1.00 74.13 S ATOM 1132 CE MET A 71 12.840 -15.058 1.826 1.00 31.24 C ATOM 0 H MET A 71 14.435 -10.996 2.670 1.00 71.51 H new ATOM 0 HA MET A 71 14.627 -12.803 0.542 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.739 -10.460 0.991 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.484 -11.738 -0.181 1.00 72.31 H new ATOM 0 HG2 MET A 71 12.943 -12.556 2.662 1.00 1.33 H new ATOM 0 HG3 MET A 71 11.416 -11.783 2.284 1.00 1.33 H new ATOM 0 HE1 MET A 71 13.190 -15.691 1.010 1.00 31.24 H new ATOM 0 HE2 MET A 71 13.681 -14.501 2.239 1.00 31.24 H new ATOM 0 HE3 MET A 71 12.399 -15.681 2.605 1.00 31.24 H new ATOM 1142 N PHE A 72 15.201 -9.654 -0.258 1.00 41.54 N ATOM 1143 CA PHE A 72 15.751 -8.789 -1.296 1.00 22.30 C ATOM 1144 C PHE A 72 17.247 -9.036 -1.472 1.00 43.01 C ATOM 1145 O PHE A 72 17.787 -8.877 -2.566 1.00 63.32 O ATOM 1146 CB PHE A 72 15.501 -7.320 -0.950 1.00 44.00 C ATOM 1147 CG PHE A 72 15.334 -6.440 -2.156 1.00 52.50 C ATOM 1148 CD1 PHE A 72 14.215 -6.555 -2.963 1.00 2.12 C ATOM 1149 CD2 PHE A 72 16.297 -5.498 -2.482 1.00 61.23 C ATOM 1150 CE1 PHE A 72 14.057 -5.746 -4.073 1.00 51.42 C ATOM 1151 CE2 PHE A 72 16.145 -4.687 -3.590 1.00 44.43 C ATOM 1152 CZ PHE A 72 15.024 -4.812 -4.387 1.00 61.11 C ATOM 0 H PHE A 72 14.972 -9.174 0.613 1.00 41.54 H new ATOM 0 HA PHE A 72 15.249 -9.024 -2.235 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.607 -7.248 -0.331 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.333 -6.949 -0.352 1.00 44.00 H new ATOM 0 HD1 PHE A 72 13.457 -7.285 -2.723 1.00 2.12 H new ATOM 0 HD2 PHE A 72 17.176 -5.397 -1.863 1.00 61.23 H new ATOM 0 HE1 PHE A 72 13.179 -5.845 -4.693 1.00 51.42 H new ATOM 0 HE2 PHE A 72 16.902 -3.956 -3.833 1.00 44.43 H new ATOM 0 HZ PHE A 72 14.904 -4.180 -5.255 1.00 61.11 H new ATOM 1162 N ALA A 73 17.908 -9.423 -0.387 1.00 72.11 N ATOM 1163 CA ALA A 73 19.340 -9.692 -0.421 1.00 15.10 C ATOM 1164 C ALA A 73 19.634 -11.014 -1.124 1.00 3.03 C ATOM 1165 O ALA A 73 20.344 -11.049 -2.129 1.00 20.54 O ATOM 1166 CB ALA A 73 19.909 -9.705 0.990 1.00 40.23 C ATOM 0 H ALA A 73 17.475 -9.557 0.527 1.00 72.11 H new ATOM 0 HA ALA A 73 19.821 -8.894 -0.987 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.979 -9.907 0.949 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.741 -8.736 1.459 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.415 -10.482 1.574 1.00 40.23 H new ATOM 1172 N ILE A 74 19.083 -12.098 -0.588 1.00 62.02 N ATOM 1173 CA ILE A 74 19.285 -13.421 -1.165 1.00 2.11 C ATOM 1174 C ILE A 74 18.529 -13.569 -2.481 1.00 5.14 C ATOM 1175 O ILE A 74 19.060 -14.096 -3.458 1.00 43.34 O ATOM 1176 CB ILE A 74 18.834 -14.532 -0.198 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.675 -14.499 1.080 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.935 -15.893 -0.871 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.288 -15.561 2.085 1.00 30.22 C ATOM 0 H ILE A 74 18.494 -12.086 0.244 1.00 62.02 H new ATOM 0 HA ILE A 74 20.354 -13.524 -1.350 1.00 2.11 H new ATOM 0 HB ILE A 74 17.792 -14.358 0.071 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.725 -14.624 0.817 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.577 -13.518 1.544 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.613 -16.668 -0.175 1.00 21.22 H new ATOM 0 HG22 ILE A 74 18.297 -15.910 -1.754 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.968 -16.077 -1.166 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.925 -15.478 2.965 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.247 -15.424 2.377 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.413 -16.547 1.638 1.00 30.22 H new ATOM 1191 N GLY A 75 17.285 -13.099 -2.499 1.00 3.13 N ATOM 1192 CA GLY A 75 16.476 -13.187 -3.700 1.00 32.31 C ATOM 1193 C GLY A 75 17.187 -12.636 -4.920 1.00 1.25 C ATOM 1194 O GLY A 75 17.024 -13.148 -6.027 1.00 54.01 O ATOM 0 H GLY A 75 16.824 -12.659 -1.703 1.00 3.13 H new ATOM 0 HA2 GLY A 75 16.209 -14.228 -3.879 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.545 -12.641 -3.548 1.00 32.31 H new ATOM 1198 N THR A 76 17.979 -11.587 -4.717 1.00 53.52 N ATOM 1199 CA THR A 76 18.715 -10.963 -5.810 1.00 44.22 C ATOM 1200 C THR A 76 20.082 -11.614 -5.993 1.00 51.23 C ATOM 1201 O THR A 76 20.737 -11.427 -7.017 1.00 5.23 O ATOM 1202 CB THR A 76 18.905 -9.454 -5.571 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.659 -9.240 -4.372 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.560 -8.750 -5.464 1.00 74.33 C ATOM 0 H THR A 76 18.127 -11.152 -3.806 1.00 53.52 H new ATOM 0 HA THR A 76 18.122 -11.107 -6.713 1.00 44.22 H new ATOM 0 HB THR A 76 19.448 -9.038 -6.420 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.058 -8.950 -3.655 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.719 -7.685 -5.295 1.00 74.33 H new ATOM 0 HG22 THR A 76 17.001 -8.891 -6.389 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.995 -9.169 -4.631 1.00 74.33 H new ATOM 1212 N GLY A 77 20.507 -12.379 -4.992 1.00 1.41 N ATOM 1213 CA GLY A 77 21.795 -13.045 -5.063 1.00 40.44 C ATOM 1214 C GLY A 77 22.946 -12.121 -4.720 1.00 21.42 C ATOM 1215 O GLY A 77 24.075 -12.336 -5.159 1.00 72.34 O ATOM 0 H GLY A 77 19.983 -12.549 -4.134 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.799 -13.894 -4.380 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.940 -13.443 -6.067 1.00 40.44 H new ATOM 1219 N ALA A 78 22.659 -11.088 -3.935 1.00 14.03 N ATOM 1220 CA ALA A 78 23.680 -10.128 -3.534 1.00 4.53 C ATOM 1221 C ALA A 78 24.579 -10.704 -2.445 1.00 51.42 C ATOM 1222 O ALA A 78 25.796 -10.516 -2.467 1.00 12.13 O ATOM 1223 CB ALA A 78 23.031 -8.837 -3.056 1.00 15.31 C ATOM 0 H ALA A 78 21.729 -10.895 -3.564 1.00 14.03 H new ATOM 0 HA ALA A 78 24.300 -9.911 -4.403 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.805 -8.129 -2.760 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.436 -8.408 -3.863 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.386 -9.048 -2.203 1.00 15.31 H new ATOM 1229 N LEU A 79 23.973 -11.407 -1.495 1.00 34.13 N ATOM 1230 CA LEU A 79 24.719 -12.011 -0.396 1.00 54.32 C ATOM 1231 C LEU A 79 24.562 -13.528 -0.402 1.00 62.35 C ATOM 1232 O LEU A 79 23.563 -14.072 -0.873 1.00 75.14 O ATOM 1233 CB LEU A 79 24.245 -11.442 0.942 1.00 45.25 C ATOM 1234 CG LEU A 79 24.863 -10.108 1.360 1.00 22.42 C ATOM 1235 CD1 LEU A 79 24.141 -9.543 2.575 1.00 41.33 C ATOM 1236 CD2 LEU A 79 26.347 -10.274 1.650 1.00 23.31 C ATOM 0 H LEU A 79 22.967 -11.573 -1.463 1.00 34.13 H new ATOM 0 HA LEU A 79 25.774 -11.773 -0.531 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.163 -11.321 0.900 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.453 -12.176 1.720 1.00 45.25 H new ATOM 0 HG LEU A 79 24.751 -9.404 0.535 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.594 -8.593 2.859 1.00 41.33 H new ATOM 0 HD12 LEU A 79 23.090 -9.385 2.333 1.00 41.33 H new ATOM 0 HD13 LEU A 79 24.221 -10.245 3.405 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.770 -9.314 1.946 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.482 -10.994 2.457 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.855 -10.633 0.755 1.00 23.31 H new ATOM 1248 N PRO A 80 25.572 -14.229 0.136 1.00 14.00 N ATOM 1249 CA PRO A 80 25.569 -15.694 0.208 1.00 41.14 C ATOM 1250 C PRO A 80 24.541 -16.223 1.202 1.00 21.40 C ATOM 1251 O PRO A 80 24.563 -15.866 2.379 1.00 0.41 O ATOM 1252 CB PRO A 80 26.987 -16.029 0.675 1.00 72.45 C ATOM 1253 CG PRO A 80 27.442 -14.814 1.407 1.00 25.51 C ATOM 1254 CD PRO A 80 26.794 -13.647 0.715 1.00 63.44 C ATOM 0 HA PRO A 80 25.302 -16.149 -0.746 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.994 -16.906 1.322 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.640 -16.250 -0.169 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.149 -14.858 2.456 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.528 -14.728 1.383 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.564 -12.843 1.414 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.442 -13.226 -0.054 1.00 63.44 H new ATOM 1262 N ALA A 81 23.643 -17.076 0.721 1.00 32.45 N ATOM 1263 CA ALA A 81 22.610 -17.657 1.569 1.00 0.14 C ATOM 1264 C ALA A 81 23.221 -18.522 2.667 1.00 23.15 C ATOM 1265 O ALA A 81 22.675 -18.627 3.765 1.00 35.22 O ATOM 1266 CB ALA A 81 21.636 -18.472 0.732 1.00 1.12 C ATOM 0 H ALA A 81 23.610 -17.380 -0.252 1.00 32.45 H new ATOM 0 HA ALA A 81 22.067 -16.842 2.047 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.870 -18.900 1.379 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.165 -17.827 -0.010 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.174 -19.274 0.226 1.00 1.12 H new ATOM 1272 N LYS A 82 24.357 -19.140 2.361 1.00 52.31 N ATOM 1273 CA LYS A 82 25.044 -19.996 3.321 1.00 64.02 C ATOM 1274 C LYS A 82 25.601 -19.176 4.480 1.00 31.13 C ATOM 1275 O LYS A 82 25.316 -19.458 5.644 1.00 60.00 O ATOM 1276 CB LYS A 82 26.176 -20.762 2.632 1.00 15.40 C ATOM 1277 CG LYS A 82 26.440 -22.131 3.237 1.00 55.43 C ATOM 1278 CD LYS A 82 27.209 -23.025 2.279 1.00 25.31 C ATOM 1279 CE LYS A 82 28.664 -23.171 2.698 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.810 -24.033 3.904 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.821 -19.064 1.456 1.00 52.31 H new ATOM 0 HA LYS A 82 24.321 -20.708 3.719 1.00 64.02 H new ATOM 0 HB2 LYS A 82 25.933 -20.881 1.576 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.089 -20.169 2.684 1.00 15.40 H new ATOM 0 HG2 LYS A 82 27.004 -22.018 4.163 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.493 -22.604 3.497 1.00 55.43 H new ATOM 0 HD2 LYS A 82 26.740 -24.008 2.241 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.159 -22.609 1.273 1.00 25.31 H new ATOM 0 HE2 LYS A 82 29.238 -23.597 1.875 1.00 43.03 H new ATOM 0 HE3 LYS A 82 29.084 -22.186 2.903 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 29.813 -24.275 4.039 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.462 -23.522 4.740 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.258 -24.905 3.776 1.00 1.31 H new ATOM 1294 N GLU A 83 26.395 -18.161 4.153 1.00 54.33 N ATOM 1295 CA GLU A 83 26.991 -17.301 5.169 1.00 72.13 C ATOM 1296 C GLU A 83 25.912 -16.630 6.014 1.00 22.30 C ATOM 1297 O GLU A 83 26.016 -16.571 7.239 1.00 41.13 O ATOM 1298 CB GLU A 83 27.876 -16.239 4.513 1.00 33.31 C ATOM 1299 CG GLU A 83 29.110 -15.888 5.327 1.00 73.20 C ATOM 1300 CD GLU A 83 30.279 -15.462 4.461 1.00 31.14 C ATOM 1301 OE1 GLU A 83 31.022 -16.349 3.989 1.00 4.11 O ATOM 1302 OE2 GLU A 83 30.452 -14.242 4.255 1.00 42.32 O1- ATOM 0 H GLU A 83 26.640 -17.914 3.194 1.00 54.33 H new ATOM 0 HA GLU A 83 27.605 -17.922 5.822 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.188 -16.594 3.531 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.287 -15.336 4.353 1.00 33.31 H new ATOM 0 HG2 GLU A 83 28.866 -15.084 6.022 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.402 -16.750 5.927 1.00 73.20 H new ATOM 1309 N ALA A 84 24.879 -16.124 5.350 1.00 31.35 N ATOM 1310 CA ALA A 84 23.781 -15.457 6.039 1.00 33.22 C ATOM 1311 C ALA A 84 23.242 -16.320 7.175 1.00 0.53 C ATOM 1312 O ALA A 84 23.097 -15.855 8.305 1.00 54.02 O ATOM 1313 CB ALA A 84 22.668 -15.121 5.057 1.00 63.32 C ATOM 0 H ALA A 84 24.779 -16.163 4.336 1.00 31.35 H new ATOM 0 HA ALA A 84 24.163 -14.531 6.469 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.855 -14.623 5.585 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.055 -14.460 4.281 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.296 -16.038 4.600 1.00 63.32 H new ATOM 1319 N MET A 85 22.944 -17.578 6.867 1.00 15.31 N ATOM 1320 CA MET A 85 22.422 -18.506 7.864 1.00 72.33 C ATOM 1321 C MET A 85 23.534 -19.003 8.781 1.00 13.11 C ATOM 1322 O MET A 85 23.287 -19.371 9.928 1.00 65.35 O ATOM 1323 CB MET A 85 21.741 -19.693 7.179 1.00 14.13 C ATOM 1324 CG MET A 85 20.443 -19.327 6.477 1.00 2.33 C ATOM 1325 SD MET A 85 20.060 -20.432 5.105 1.00 30.31 S ATOM 1326 CE MET A 85 19.861 -19.259 3.768 1.00 34.22 C ATOM 0 H MET A 85 23.055 -17.978 5.935 1.00 15.31 H new ATOM 0 HA MET A 85 21.688 -17.974 8.469 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.428 -20.126 6.452 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.538 -20.463 7.923 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.625 -19.352 7.197 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.511 -18.304 6.107 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.231 -19.698 2.841 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.806 -19.011 3.656 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.425 -18.354 3.991 1.00 34.22 H new ATOM 1336 N ALA A 86 24.760 -19.009 8.267 1.00 22.40 N ATOM 1337 CA ALA A 86 25.910 -19.460 9.041 1.00 24.14 C ATOM 1338 C ALA A 86 26.101 -18.605 10.289 1.00 44.20 C ATOM 1339 O ALA A 86 26.576 -19.088 11.316 1.00 35.33 O ATOM 1340 CB ALA A 86 27.166 -19.433 8.182 1.00 41.43 C ATOM 0 H ALA A 86 24.982 -18.707 7.318 1.00 22.40 H new ATOM 0 HA ALA A 86 25.723 -20.485 9.361 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.018 -19.772 8.772 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.034 -20.092 7.324 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.347 -18.416 7.834 1.00 41.43 H new ATOM 1346 N GLN A 87 25.730 -17.332 10.190 1.00 21.33 N ATOM 1347 CA GLN A 87 25.862 -16.409 11.312 1.00 11.30 C ATOM 1348 C GLN A 87 24.612 -16.430 12.184 1.00 13.12 C ATOM 1349 O GLN A 87 24.276 -15.436 12.827 1.00 34.44 O ATOM 1350 CB GLN A 87 26.122 -14.990 10.804 1.00 62.44 C ATOM 1351 CG GLN A 87 27.562 -14.750 10.378 1.00 22.40 C ATOM 1352 CD GLN A 87 27.871 -13.281 10.168 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.734 -12.469 11.085 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.290 -12.930 8.958 1.00 23.23 N ATOM 0 H GLN A 87 25.336 -16.917 9.346 1.00 21.33 H new ATOM 0 HA GLN A 87 26.709 -16.731 11.917 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.464 -14.789 9.959 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.860 -14.279 11.588 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.233 -15.154 11.136 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.759 -15.295 9.455 1.00 22.40 H new ATOM 0 HE21 GLN A 87 28.389 -13.636 8.228 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.513 -11.955 8.758 1.00 23.23 H new ATOM 1363 N ASP A 88 23.926 -17.567 12.199 1.00 74.43 N ATOM 1364 CA ASP A 88 22.712 -17.717 12.994 1.00 30.11 C ATOM 1365 C ASP A 88 21.770 -16.536 12.776 1.00 61.34 C ATOM 1366 O ASP A 88 20.982 -16.187 13.654 1.00 12.20 O ATOM 1367 CB ASP A 88 23.059 -17.842 14.477 1.00 42.33 C ATOM 1368 CG ASP A 88 24.275 -18.716 14.716 1.00 10.02 C ATOM 1369 OD1 ASP A 88 24.213 -19.920 14.390 1.00 73.51 O ATOM 1370 OD2 ASP A 88 25.288 -18.195 15.229 1.00 1.01 O1- ATOM 0 H ASP A 88 24.189 -18.398 11.670 1.00 74.43 H new ATOM 0 HA ASP A 88 22.206 -18.627 12.670 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.242 -16.850 14.889 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.206 -18.257 15.013 1.00 42.33 H new ATOM 1375 N LYS A 89 21.860 -15.925 11.600 1.00 0.12 N ATOM 1376 CA LYS A 89 21.018 -14.782 11.265 1.00 50.20 C ATOM 1377 C LYS A 89 19.693 -15.241 10.663 1.00 23.34 C ATOM 1378 O LYS A 89 18.861 -14.422 10.275 1.00 54.12 O ATOM 1379 CB LYS A 89 21.742 -13.857 10.285 1.00 12.11 C ATOM 1380 CG LYS A 89 22.076 -12.495 10.867 1.00 1.11 C ATOM 1381 CD LYS A 89 22.378 -11.481 9.777 1.00 0.51 C ATOM 1382 CE LYS A 89 23.142 -10.285 10.324 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.226 -9.215 10.809 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.508 -16.202 10.862 1.00 0.12 H new ATOM 0 HA LYS A 89 20.810 -14.234 12.184 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.663 -14.338 9.957 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.121 -13.722 9.400 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.241 -12.142 11.472 1.00 1.11 H new ATOM 0 HG3 LYS A 89 22.936 -12.583 11.531 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.961 -11.956 8.988 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.446 -11.143 9.325 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.787 -10.609 11.141 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.791 -9.882 9.546 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.786 -8.418 11.174 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.628 -8.888 10.024 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.624 -9.592 11.569 1.00 64.21 H new ATOM 1397 N MET A 90 19.507 -16.555 10.588 1.00 61.54 N ATOM 1398 CA MET A 90 18.282 -17.121 10.036 1.00 34.14 C ATOM 1399 C MET A 90 18.084 -18.558 10.510 1.00 23.11 C ATOM 1400 O MET A 90 19.049 -19.255 10.821 1.00 52.43 O ATOM 1401 CB MET A 90 18.319 -17.078 8.507 1.00 63.10 C ATOM 1402 CG MET A 90 17.837 -15.759 7.924 1.00 53.24 C ATOM 1403 SD MET A 90 19.172 -14.793 7.194 1.00 10.12 S ATOM 1404 CE MET A 90 19.326 -15.584 5.594 1.00 55.23 C ATOM 0 H MET A 90 20.188 -17.247 10.902 1.00 61.54 H new ATOM 0 HA MET A 90 17.443 -16.521 10.390 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.339 -17.263 8.171 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.703 -17.886 8.114 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.080 -15.957 7.165 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.357 -15.174 8.708 1.00 53.24 H new ATOM 0 HE1 MET A 90 19.442 -14.824 4.822 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.198 -16.238 5.594 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.431 -16.173 5.391 1.00 55.23 H new ATOM 1414 N GLU A 91 16.829 -18.992 10.564 1.00 65.45 N ATOM 1415 CA GLU A 91 16.508 -20.345 11.002 1.00 11.40 C ATOM 1416 C GLU A 91 15.727 -21.094 9.926 1.00 34.33 C ATOM 1417 O GLU A 91 14.557 -20.804 9.676 1.00 12.44 O ATOM 1418 CB GLU A 91 15.698 -20.306 12.300 1.00 33.13 C ATOM 1419 CG GLU A 91 16.355 -19.491 13.402 1.00 21.12 C ATOM 1420 CD GLU A 91 15.713 -19.718 14.757 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.628 -20.335 14.803 1.00 51.55 O ATOM 1422 OE2 GLU A 91 16.295 -19.281 15.772 1.00 0.55 O1- ATOM 0 H GLU A 91 16.019 -18.427 10.310 1.00 65.45 H new ATOM 0 HA GLU A 91 17.445 -20.873 11.182 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.712 -19.891 12.091 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.546 -21.325 12.655 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.413 -19.748 13.458 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.297 -18.432 13.149 1.00 21.12 H new ATOM 1429 N VAL A 92 16.384 -22.060 9.292 1.00 4.22 N ATOM 1430 CA VAL A 92 15.754 -22.853 8.242 1.00 10.32 C ATOM 1431 C VAL A 92 15.733 -24.333 8.609 1.00 5.13 C ATOM 1432 O VAL A 92 16.697 -24.859 9.163 1.00 24.13 O ATOM 1433 CB VAL A 92 16.479 -22.679 6.896 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.815 -23.525 5.818 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.507 -21.213 6.491 1.00 24.44 C ATOM 0 H VAL A 92 17.353 -22.313 9.487 1.00 4.22 H new ATOM 0 HA VAL A 92 14.730 -22.492 8.143 1.00 10.32 H new ATOM 0 HB VAL A 92 17.508 -23.021 7.011 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.341 -23.389 4.873 1.00 44.34 H new ATOM 0 HG12 VAL A 92 15.852 -24.576 6.106 1.00 44.34 H new ATOM 0 HG13 VAL A 92 14.776 -23.217 5.702 1.00 44.34 H new ATOM 0 HG21 VAL A 92 17.024 -21.109 5.537 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.486 -20.843 6.393 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.031 -20.635 7.252 1.00 24.44 H new ATOM 1445 N ASP A 93 14.626 -24.998 8.296 1.00 5.23 N ATOM 1446 CA ASP A 93 14.479 -26.419 8.591 1.00 71.33 C ATOM 1447 C ASP A 93 13.935 -27.171 7.381 1.00 3.43 C ATOM 1448 O ASP A 93 12.793 -26.968 6.972 1.00 70.13 O ATOM 1449 CB ASP A 93 13.551 -26.619 9.790 1.00 63.55 C ATOM 1450 CG ASP A 93 13.879 -25.684 10.938 1.00 64.33 C ATOM 1451 OD1 ASP A 93 13.459 -24.509 10.885 1.00 3.05 O ATOM 1452 OD2 ASP A 93 14.554 -26.128 11.891 1.00 61.15 O1- ATOM 0 H ASP A 93 13.818 -24.576 7.838 1.00 5.23 H new ATOM 0 HA ASP A 93 15.464 -26.819 8.833 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.519 -26.458 9.478 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.623 -27.651 10.134 1.00 63.55 H new ATOM 1457 N GLY A 94 14.763 -28.041 6.810 1.00 62.44 N ATOM 1458 CA GLY A 94 14.349 -28.809 5.651 1.00 54.13 C ATOM 1459 C GLY A 94 15.512 -29.491 4.961 1.00 34.44 C ATOM 1460 O GLY A 94 16.672 -29.194 5.247 1.00 31.24 O ATOM 0 H GLY A 94 15.713 -28.227 7.130 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.622 -29.561 5.958 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.847 -28.150 4.943 1.00 54.13 H new ATOM 1464 N GLN A 95 15.204 -30.409 4.050 1.00 20.11 N ATOM 1465 CA GLN A 95 16.235 -31.136 3.318 1.00 74.11 C ATOM 1466 C GLN A 95 17.199 -30.172 2.633 1.00 14.41 C ATOM 1467 O GLN A 95 16.811 -29.425 1.735 1.00 70.12 O ATOM 1468 CB GLN A 95 15.596 -32.061 2.281 1.00 43.12 C ATOM 1469 CG GLN A 95 16.153 -33.476 2.303 1.00 5.44 C ATOM 1470 CD GLN A 95 16.720 -33.902 0.964 1.00 62.14 C ATOM 1471 OE1 GLN A 95 16.031 -33.863 -0.056 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.984 -34.311 0.959 1.00 15.42 N ATOM 0 H GLN A 95 14.249 -30.667 3.801 1.00 20.11 H new ATOM 0 HA GLN A 95 16.798 -31.737 4.032 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.521 -32.100 2.455 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.743 -31.637 1.288 1.00 43.12 H new ATOM 0 HG2 GLN A 95 16.933 -33.543 3.061 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.364 -34.168 2.596 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.518 -34.327 1.828 1.00 15.42 H new ATOM 0 HE22 GLN A 95 18.420 -34.609 0.086 1.00 15.42 H new ATOM 1481 N VAL A 96 18.456 -30.196 3.063 1.00 3.03 N ATOM 1482 CA VAL A 96 19.476 -29.326 2.491 1.00 31.30 C ATOM 1483 C VAL A 96 19.366 -29.275 0.972 1.00 11.34 C ATOM 1484 O VAL A 96 19.459 -28.206 0.369 1.00 40.02 O ATOM 1485 CB VAL A 96 20.892 -29.791 2.877 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.938 -28.830 2.333 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.015 -29.926 4.388 1.00 14.52 C ATOM 0 H VAL A 96 18.793 -30.809 3.806 1.00 3.03 H new ATOM 0 HA VAL A 96 19.306 -28.329 2.898 1.00 31.30 H new ATOM 0 HB VAL A 96 21.067 -30.770 2.432 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.932 -29.176 2.616 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.864 -28.789 1.246 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.768 -27.836 2.746 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.022 -30.256 4.643 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.819 -28.962 4.857 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.292 -30.658 4.748 1.00 14.52 H new ATOM 1497 N GLU A 97 19.167 -30.438 0.359 1.00 74.25 N ATOM 1498 CA GLU A 97 19.044 -30.525 -1.092 1.00 11.51 C ATOM 1499 C GLU A 97 17.898 -29.653 -1.594 1.00 42.00 C ATOM 1500 O GLU A 97 18.064 -28.866 -2.528 1.00 42.22 O ATOM 1501 CB GLU A 97 18.821 -31.977 -1.520 1.00 74.24 C ATOM 1502 CG GLU A 97 19.872 -32.495 -2.487 1.00 53.13 C ATOM 1503 CD GLU A 97 19.304 -32.789 -3.863 1.00 42.33 C ATOM 1504 OE1 GLU A 97 18.257 -33.463 -3.941 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 19.909 -32.343 -4.860 1.00 51.11 O ATOM 0 H GLU A 97 19.088 -31.332 0.844 1.00 74.25 H new ATOM 0 HA GLU A 97 19.973 -30.162 -1.533 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.811 -32.611 -0.633 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.839 -32.063 -1.984 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.671 -31.759 -2.577 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.318 -33.403 -2.081 1.00 53.13 H new ATOM 1512 N LEU A 98 16.735 -29.797 -0.970 1.00 4.22 N ATOM 1513 CA LEU A 98 15.559 -29.024 -1.353 1.00 45.51 C ATOM 1514 C LEU A 98 15.900 -27.542 -1.481 1.00 62.10 C ATOM 1515 O LEU A 98 15.647 -26.925 -2.515 1.00 75.13 O ATOM 1516 CB LEU A 98 14.441 -29.215 -0.327 1.00 63.45 C ATOM 1517 CG LEU A 98 13.782 -30.595 -0.302 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.924 -30.754 0.945 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.948 -30.810 -1.557 1.00 24.12 C ATOM 0 H LEU A 98 16.581 -30.443 -0.196 1.00 4.22 H new ATOM 0 HA LEU A 98 15.218 -29.385 -2.323 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.846 -29.010 0.664 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.669 -28.469 -0.517 1.00 63.45 H new ATOM 0 HG LEU A 98 14.566 -31.351 -0.277 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.463 -31.742 0.946 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.548 -30.644 1.832 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.146 -29.991 0.951 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.486 -31.797 -1.522 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.171 -30.048 -1.612 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.589 -30.740 -2.436 1.00 24.12 H new ATOM 1531 N ILE A 99 16.476 -26.981 -0.423 1.00 14.23 N ATOM 1532 CA ILE A 99 16.855 -25.573 -0.419 1.00 35.14 C ATOM 1533 C ILE A 99 18.030 -25.316 -1.355 1.00 52.03 C ATOM 1534 O ILE A 99 18.232 -24.195 -1.823 1.00 51.23 O ATOM 1535 CB ILE A 99 17.227 -25.095 0.998 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.468 -25.837 1.500 1.00 34.25 C ATOM 1537 CG2 ILE A 99 16.058 -25.299 1.950 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.076 -25.223 2.741 1.00 52.41 C ATOM 0 H ILE A 99 16.690 -27.479 0.441 1.00 14.23 H new ATOM 0 HA ILE A 99 15.988 -25.012 -0.768 1.00 35.14 H new ATOM 0 HB ILE A 99 17.455 -24.030 0.959 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.202 -26.873 1.710 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.217 -25.854 0.708 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.336 -24.957 2.947 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.198 -24.729 1.598 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.801 -26.357 1.989 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.951 -25.799 3.041 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.373 -24.196 2.531 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.343 -25.231 3.547 1.00 52.41 H new ATOM 1550 N PHE A 100 18.802 -26.364 -1.627 1.00 71.24 N ATOM 1551 CA PHE A 100 19.958 -26.253 -2.509 1.00 72.33 C ATOM 1552 C PHE A 100 19.528 -26.270 -3.974 1.00 42.50 C ATOM 1553 O PHE A 100 20.298 -25.902 -4.863 1.00 71.51 O ATOM 1554 CB PHE A 100 20.942 -27.394 -2.241 1.00 70.10 C ATOM 1555 CG PHE A 100 22.186 -26.956 -1.523 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.153 -26.663 -0.169 1.00 32.30 C ATOM 1557 CD2 PHE A 100 23.388 -26.837 -2.202 1.00 64.21 C ATOM 1558 CE1 PHE A 100 23.296 -26.260 0.495 1.00 55.43 C ATOM 1559 CE2 PHE A 100 24.534 -26.435 -1.542 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.488 -26.145 -0.193 1.00 4.43 C ATOM 0 H PHE A 100 18.648 -27.299 -1.249 1.00 71.24 H new ATOM 0 HA PHE A 100 20.450 -25.302 -2.304 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.443 -28.162 -1.651 1.00 70.10 H new ATOM 0 HB3 PHE A 100 21.222 -27.852 -3.190 1.00 70.10 H new ATOM 0 HD1 PHE A 100 21.223 -26.751 0.374 1.00 32.30 H new ATOM 0 HD2 PHE A 100 23.430 -27.061 -3.258 1.00 64.21 H new ATOM 0 HE1 PHE A 100 23.257 -26.035 1.551 1.00 55.43 H new ATOM 0 HE2 PHE A 100 25.465 -26.348 -2.082 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.382 -25.829 0.323 1.00 4.43 H new ATOM 1570 N LEU A 101 18.294 -26.698 -4.216 1.00 25.32 N ATOM 1571 CA LEU A 101 17.761 -26.764 -5.573 1.00 40.32 C ATOM 1572 C LEU A 101 17.384 -25.375 -6.077 1.00 65.23 C ATOM 1573 O LEU A 101 17.594 -25.050 -7.247 1.00 62.41 O ATOM 1574 CB LEU A 101 16.540 -27.685 -5.618 1.00 25.44 C ATOM 1575 CG LEU A 101 16.825 -29.183 -5.504 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.672 -29.894 -4.810 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.074 -29.784 -6.879 1.00 22.30 C ATOM 0 H LEU A 101 17.644 -27.004 -3.492 1.00 25.32 H new ATOM 0 HA LEU A 101 18.537 -27.168 -6.223 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.866 -27.401 -4.810 1.00 25.44 H new ATOM 0 HB3 LEU A 101 16.009 -27.507 -6.553 1.00 25.44 H new ATOM 0 HG LEU A 101 17.724 -29.318 -4.902 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.892 -30.959 -4.738 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.540 -29.482 -3.810 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.757 -29.751 -5.385 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.275 -30.851 -6.779 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.194 -29.638 -7.505 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.932 -29.295 -7.340 1.00 22.30 H new ATOM 1589 N LEU A 102 16.828 -24.559 -5.189 1.00 30.55 N ATOM 1590 CA LEU A 102 16.423 -23.204 -5.543 1.00 44.41 C ATOM 1591 C LEU A 102 17.602 -22.241 -5.450 1.00 35.10 C ATOM 1592 O LEU A 102 17.498 -21.078 -5.838 1.00 24.35 O ATOM 1593 CB LEU A 102 15.293 -22.731 -4.627 1.00 74.32 C ATOM 1594 CG LEU A 102 13.876 -23.114 -5.057 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.786 -24.608 -5.332 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.866 -22.704 -3.994 1.00 31.25 C ATOM 0 H LEU A 102 16.647 -24.813 -4.218 1.00 30.55 H new ATOM 0 HA LEU A 102 16.067 -23.217 -6.573 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.469 -23.132 -3.629 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.346 -21.645 -4.548 1.00 74.32 H new ATOM 0 HG LEU A 102 13.641 -22.581 -5.978 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.771 -24.861 -5.637 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.481 -24.874 -6.129 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.042 -25.160 -4.428 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.864 -22.984 -4.317 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.099 -23.209 -3.056 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.911 -21.625 -3.846 1.00 31.25 H new ATOM 1608 N GLU A 103 18.725 -22.736 -4.938 1.00 43.15 N ATOM 1609 CA GLU A 103 19.924 -21.920 -4.796 1.00 3.21 C ATOM 1610 C GLU A 103 20.425 -21.449 -6.158 1.00 63.23 C ATOM 1611 O GLU A 103 20.636 -20.258 -6.393 1.00 12.34 O ATOM 1612 CB GLU A 103 21.023 -22.708 -4.081 1.00 45.21 C ATOM 1613 CG GLU A 103 21.101 -22.428 -2.589 1.00 43.34 C ATOM 1614 CD GLU A 103 22.387 -22.936 -1.967 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.454 -22.783 -2.598 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.328 -23.489 -0.849 1.00 12.12 O1- ATOM 0 H GLU A 103 18.829 -23.698 -4.615 1.00 43.15 H new ATOM 0 HA GLU A 103 19.668 -21.045 -4.199 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.852 -23.774 -4.234 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.984 -22.471 -4.537 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.019 -21.354 -2.420 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.251 -22.895 -2.091 1.00 43.34 H new ATOM 1623 N PRO A 104 20.623 -22.405 -7.079 1.00 1.41 N ATOM 1624 CA PRO A 104 21.102 -22.113 -8.433 1.00 73.13 C ATOM 1625 C PRO A 104 20.058 -21.382 -9.271 1.00 4.23 C ATOM 1626 O PRO A 104 20.341 -20.937 -10.384 1.00 22.01 O ATOM 1627 CB PRO A 104 21.382 -23.499 -9.016 1.00 53.34 C ATOM 1628 CG PRO A 104 20.492 -24.419 -8.253 1.00 15.34 C ATOM 1629 CD PRO A 104 20.393 -23.843 -6.868 1.00 52.44 C ATOM 0 HA PRO A 104 21.971 -21.456 -8.426 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.163 -23.531 -10.083 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.430 -23.774 -8.898 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.509 -24.487 -8.719 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.903 -25.428 -8.228 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.416 -24.033 -6.423 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.137 -24.275 -6.199 1.00 52.44 H new ATOM 1637 N PHE A 105 18.850 -21.262 -8.732 1.00 2.15 N ATOM 1638 CA PHE A 105 17.764 -20.587 -9.431 1.00 32.10 C ATOM 1639 C PHE A 105 17.607 -19.151 -8.937 1.00 31.15 C ATOM 1640 O PHE A 105 16.976 -18.323 -9.592 1.00 64.30 O ATOM 1641 CB PHE A 105 16.452 -21.350 -9.238 1.00 54.33 C ATOM 1642 CG PHE A 105 16.540 -22.800 -9.617 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.481 -23.233 -10.538 1.00 1.41 C ATOM 1644 CD2 PHE A 105 15.683 -23.732 -9.053 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.565 -24.567 -10.888 1.00 3.32 C ATOM 1646 CE2 PHE A 105 15.762 -25.067 -9.400 1.00 11.53 C ATOM 1647 CZ PHE A 105 16.705 -25.486 -10.318 1.00 12.30 C ATOM 0 H PHE A 105 18.598 -21.624 -7.812 1.00 2.15 H new ATOM 0 HA PHE A 105 18.010 -20.563 -10.493 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.147 -21.274 -8.194 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.673 -20.874 -9.834 1.00 54.33 H new ATOM 0 HD1 PHE A 105 18.156 -22.520 -10.987 1.00 1.41 H new ATOM 0 HD2 PHE A 105 14.944 -23.411 -8.333 1.00 74.43 H new ATOM 0 HE1 PHE A 105 18.303 -24.891 -11.607 1.00 3.32 H new ATOM 0 HE2 PHE A 105 15.087 -25.782 -8.954 1.00 11.53 H new ATOM 0 HZ PHE A 105 16.770 -26.529 -10.590 1.00 12.30 H new ATOM 1657 N ILE A 106 18.188 -18.866 -7.776 1.00 24.22 N ATOM 1658 CA ILE A 106 18.114 -17.532 -7.193 1.00 75.54 C ATOM 1659 C ILE A 106 18.485 -16.464 -8.217 1.00 2.34 C ATOM 1660 O ILE A 106 17.845 -15.416 -8.295 1.00 3.54 O ATOM 1661 CB ILE A 106 19.041 -17.399 -5.971 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.433 -18.113 -4.762 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.294 -15.932 -5.655 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.409 -18.312 -3.624 1.00 25.24 C ATOM 0 H ILE A 106 18.715 -19.541 -7.221 1.00 24.22 H new ATOM 0 HA ILE A 106 17.082 -17.384 -6.874 1.00 75.54 H new ATOM 0 HB ILE A 106 19.996 -17.870 -6.205 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.580 -17.538 -4.402 1.00 1.44 H new ATOM 0 HG13 ILE A 106 18.052 -19.084 -5.078 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.951 -15.854 -4.789 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.765 -15.451 -6.512 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.347 -15.438 -5.437 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.909 -18.824 -2.802 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.251 -18.913 -3.968 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.771 -17.343 -3.281 1.00 25.24 H new ATOM 1676 N ALA A 107 19.522 -16.739 -9.002 1.00 3.35 N ATOM 1677 CA ALA A 107 19.975 -15.803 -10.023 1.00 34.20 C ATOM 1678 C ALA A 107 18.944 -15.665 -11.138 1.00 53.41 C ATOM 1679 O ALA A 107 18.694 -14.565 -11.632 1.00 32.33 O ATOM 1680 CB ALA A 107 21.313 -16.252 -10.593 1.00 64.22 C ATOM 0 H ALA A 107 20.064 -17.602 -8.950 1.00 3.35 H new ATOM 0 HA ALA A 107 20.099 -14.826 -9.556 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.640 -15.544 -11.355 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.053 -16.293 -9.794 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.205 -17.241 -11.039 1.00 64.22 H new ATOM 1686 N SER A 108 18.348 -16.786 -11.529 1.00 21.15 N ATOM 1687 CA SER A 108 17.346 -16.790 -12.589 1.00 44.42 C ATOM 1688 C SER A 108 16.106 -16.008 -12.167 1.00 32.13 C ATOM 1689 O SER A 108 15.363 -15.499 -13.007 1.00 64.31 O ATOM 1690 CB SER A 108 16.960 -18.226 -12.949 1.00 55.01 C ATOM 1691 OG SER A 108 17.091 -18.456 -14.341 1.00 5.42 O ATOM 0 H SER A 108 18.541 -17.704 -11.128 1.00 21.15 H new ATOM 0 HA SER A 108 17.778 -16.307 -13.466 1.00 44.42 H new ATOM 0 HB2 SER A 108 17.593 -18.924 -12.401 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.932 -18.418 -12.641 1.00 55.01 H new ATOM 0 HG SER A 108 16.840 -19.381 -14.545 1.00 5.42 H new ATOM 1697 N LEU A 109 15.889 -15.917 -10.860 1.00 35.14 N ATOM 1698 CA LEU A 109 14.739 -15.197 -10.324 1.00 3.21 C ATOM 1699 C LEU A 109 14.101 -14.317 -11.393 1.00 12.12 C ATOM 1700 O LEU A 109 14.521 -13.179 -11.609 1.00 20.34 O ATOM 1701 CB LEU A 109 15.160 -14.342 -9.127 1.00 34.14 C ATOM 1702 CG LEU A 109 14.933 -14.960 -7.748 1.00 61.52 C ATOM 1703 CD1 LEU A 109 13.625 -14.469 -7.150 1.00 33.34 C ATOM 1704 CD2 LEU A 109 14.943 -16.479 -7.836 1.00 5.32 C ATOM 0 H LEU A 109 16.494 -16.333 -10.152 1.00 35.14 H new ATOM 0 HA LEU A 109 14.002 -15.931 -9.997 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.220 -14.108 -9.228 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.619 -13.397 -9.173 1.00 34.14 H new ATOM 0 HG LEU A 109 15.747 -14.648 -7.094 1.00 61.52 H new ATOM 0 HD11 LEU A 109 13.482 -14.920 -6.168 1.00 33.34 H new ATOM 0 HD12 LEU A 109 13.655 -13.384 -7.050 1.00 33.34 H new ATOM 0 HD13 LEU A 109 12.798 -14.750 -7.803 1.00 33.34 H new ATOM 0 HD21 LEU A 109 14.780 -16.902 -6.845 1.00 5.32 H new ATOM 0 HD22 LEU A 109 14.150 -16.810 -8.507 1.00 5.32 H new ATOM 0 HD23 LEU A 109 15.906 -16.815 -8.220 1.00 5.32 H new ATOM 1716 N LYS A 110 13.083 -14.848 -12.061 1.00 61.55 N ATOM 1717 CA LYS A 110 12.383 -14.111 -13.107 1.00 50.13 C ATOM 1718 C LYS A 110 11.080 -14.807 -13.485 1.00 22.31 C ATOM 1719 O LYS A 110 11.032 -15.476 -14.516 1.00 42.22 O ATOM 1720 CB LYS A 110 13.275 -13.968 -14.342 1.00 44.41 C ATOM 1721 CG LYS A 110 12.737 -12.988 -15.370 1.00 44.45 C ATOM 1722 CD LYS A 110 13.555 -13.017 -16.650 1.00 34.11 C ATOM 1723 CE LYS A 110 13.810 -11.614 -17.181 1.00 5.35 C ATOM 1724 NZ LYS A 110 14.457 -11.639 -18.522 1.00 30.41 N1+ ATOM 0 H LYS A 110 12.723 -15.788 -11.896 1.00 61.55 H new ATOM 0 HA LYS A 110 12.145 -13.120 -12.721 1.00 50.13 H new ATOM 0 HB2 LYS A 110 14.267 -13.644 -14.028 1.00 44.41 H new ATOM 0 HB3 LYS A 110 13.392 -14.945 -14.810 1.00 44.41 H new ATOM 0 HG2 LYS A 110 11.698 -13.230 -15.595 1.00 44.45 H new ATOM 0 HG3 LYS A 110 12.747 -11.981 -14.954 1.00 44.45 H new ATOM 0 HD2 LYS A 110 14.506 -13.515 -16.464 1.00 34.11 H new ATOM 0 HD3 LYS A 110 13.031 -13.603 -17.405 1.00 34.11 H new ATOM 0 HE2 LYS A 110 12.866 -11.072 -17.243 1.00 5.35 H new ATOM 0 HE3 LYS A 110 14.445 -11.070 -16.481 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 14.614 -10.665 -18.850 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 15.369 -12.134 -18.458 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 13.840 -12.136 -19.196 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.262 -28.552 -9.512 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.048 -28.218 -8.992 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.439 -29.525 -10.238 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.396 -27.582 -9.087 1.00 54.31 C HETATM 1743 C3 PLM A 200 11.199 -26.190 -9.785 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.791 -25.037 -8.839 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.002 -24.204 -8.378 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.579 -22.962 -7.570 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.392 -21.712 -7.954 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.254 -20.586 -6.911 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.621 -20.011 -6.487 1.00 71.14 C HETATM 1750 CA PLM A 200 13.656 -19.448 -5.051 1.00 3.31 C HETATM 1751 CB PLM A 200 15.066 -18.918 -4.732 1.00 12.32 C HETATM 1752 CC PLM A 200 14.912 -18.002 -3.354 1.00 52.33 C HETATM 1753 CD PLM A 200 15.133 -18.861 -2.095 1.00 43.24 C HETATM 1754 CE PLM A 200 16.493 -19.583 -2.112 1.00 12.22 C HETATM 1755 CF PLM A 200 16.762 -20.348 -0.804 1.00 51.53 C HETATM 1756 CG PLM A 200 17.609 -21.606 -1.042 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.085 -22.273 -1.726 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.568 -21.322 -1.475 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.776 -22.117 -0.094 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.274 -19.693 -0.099 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.814 -20.630 -0.346 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.522 -20.279 -2.950 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.287 -18.854 -2.275 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.071 -18.227 -1.210 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.334 -19.598 -2.016 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.634 -17.185 -3.373 1.00 52.33 H new HETATM 0 HC1 PLM A 200 13.920 -17.551 -3.322 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.766 -19.739 -4.578 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.453 -18.320 -5.557 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.924 -18.647 -4.947 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.380 -20.226 -4.339 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.374 -20.794 -6.576 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.900 -19.219 -7.182 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.638 -19.786 -7.322 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.735 -20.969 -6.032 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.443 -21.982 -8.058 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.059 -21.348 -8.926 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.519 -22.768 -7.734 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.706 -23.163 -6.506 1.00 53.20 H new HETATM 0 H52 PLM A 200 12.658 -24.826 -7.769 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.578 -23.890 -9.249 1.00 43.34 H new HETATM 0 H42 PLM A 200 10.078 -24.388 -9.347 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.282 -25.448 -7.967 1.00 51.32 H new HETATM 0 H32 PLM A 200 12.128 -25.917 -10.287 1.00 13.24 H new HETATM 0 H31 PLM A 200 10.437 -26.293 -10.558 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.394 -27.459 -8.004 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.365 -28.001 -9.358 1.00 54.31 H new HETATM 0 H PLM A 200 8.343 -28.705 -9.468 1.00 23.33 H new