USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 975 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 MET CE :methyl -145:sc= -1.32 (180deg=-2.92!) USER MOD Set 1.2: A 106 THR OG1 : rot 152:sc= 1.22 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.85) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.569 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.56) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.117 (180deg=-0.622) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.065 (180deg=-0.476) USER MOD Single : A 42 THR OG1 : rot -35:sc= 0.893 USER MOD Single : A 43 MET CE :methyl -129:sc= -1.08 (180deg=-7.02!) USER MOD Single : A 44 ASN : amide:sc= -0.592 K(o=-0.59,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= -0.488 (180deg=-3.05!) USER MOD Single : A 57 GLN : amide:sc= -0.284 K(o=-0.28,f=-3.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -83:sc= 0.255 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0.00718 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.0036) USER MOD Single : A 95 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 96 THR OG1 : rot 178:sc= -0.572 USER MOD Single : A 97 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.6) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00401) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00472) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= -0.0895 (180deg=-0.186) USER MOD Single : A 116 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0384) USER MOD Single : A 117 HIS : no HE2:sc= -0.0625 K(o=-0.062,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 2.940 -1.377 1.388 1.00 43.13 N ATOM 2 CA SER A 3 3.065 -0.689 0.108 1.00 61.11 C ATOM 3 C SER A 3 2.050 -1.224 -0.897 1.00 54.44 C ATOM 4 O SER A 3 1.629 -2.377 -0.818 1.00 3.01 O ATOM 5 CB SER A 3 4.482 -0.851 -0.446 1.00 71.21 C ATOM 6 OG SER A 3 4.702 0.015 -1.546 1.00 75.21 O ATOM 0 HA SER A 3 2.865 0.370 0.272 1.00 61.11 H new ATOM 0 HB2 SER A 3 5.209 -0.639 0.338 1.00 71.21 H new ATOM 0 HB3 SER A 3 4.639 -1.884 -0.756 1.00 71.21 H new ATOM 0 HG SER A 3 5.615 -0.107 -1.881 1.00 75.21 H new ATOM 12 N ASN A 4 1.660 -0.375 -1.843 1.00 72.02 N ATOM 13 CA ASN A 4 0.693 -0.761 -2.865 1.00 11.43 C ATOM 14 C ASN A 4 1.313 -1.738 -3.859 1.00 14.10 C ATOM 15 O ASN A 4 0.674 -2.703 -4.276 1.00 33.40 O ATOM 16 CB ASN A 4 0.178 0.477 -3.602 1.00 41.13 C ATOM 17 CG ASN A 4 1.288 1.233 -4.308 1.00 34.13 C ATOM 18 OD1 ASN A 4 1.963 2.069 -3.707 1.00 62.05 O ATOM 19 ND2 ASN A 4 1.480 0.941 -5.589 1.00 1.51 N ATOM 0 H ASN A 4 1.998 0.584 -1.923 1.00 72.02 H new ATOM 0 HA ASN A 4 -0.143 -1.256 -2.371 1.00 11.43 H new ATOM 0 HB2 ASN A 4 -0.574 0.176 -4.332 1.00 41.13 H new ATOM 0 HB3 ASN A 4 -0.315 1.141 -2.892 1.00 41.13 H new ATOM 0 HD21 ASN A 4 2.212 1.417 -6.116 1.00 1.51 H new ATOM 0 HD22 ASN A 4 0.896 0.241 -6.046 1.00 1.51 H new ATOM 26 N ALA A 5 2.561 -1.480 -4.234 1.00 2.11 N ATOM 27 CA ALA A 5 3.268 -2.338 -5.177 1.00 4.44 C ATOM 28 C ALA A 5 4.293 -3.211 -4.462 1.00 23.54 C ATOM 29 O ALA A 5 5.163 -3.809 -5.094 1.00 3.31 O ATOM 30 CB ALA A 5 3.945 -1.497 -6.249 1.00 61.45 C ATOM 0 H ALA A 5 3.104 -0.684 -3.899 1.00 2.11 H new ATOM 0 HA ALA A 5 2.538 -2.994 -5.652 1.00 4.44 H new ATOM 0 HB1 ALA A 5 4.469 -2.150 -6.947 1.00 61.45 H new ATOM 0 HB2 ALA A 5 3.193 -0.920 -6.787 1.00 61.45 H new ATOM 0 HB3 ALA A 5 4.658 -0.818 -5.782 1.00 61.45 H new ATOM 36 N GLY A 6 4.185 -3.281 -3.138 1.00 73.02 N ATOM 37 CA GLY A 6 5.109 -4.084 -2.359 1.00 42.31 C ATOM 38 C GLY A 6 5.185 -5.517 -2.846 1.00 65.04 C ATOM 39 O GLY A 6 6.199 -6.190 -2.661 1.00 43.50 O ATOM 0 H GLY A 6 3.474 -2.796 -2.591 1.00 73.02 H new ATOM 0 HA2 GLY A 6 6.101 -3.636 -2.403 1.00 42.31 H new ATOM 0 HA3 GLY A 6 4.801 -4.075 -1.313 1.00 42.31 H new ATOM 43 N ALA A 7 4.110 -5.986 -3.470 1.00 33.42 N ATOM 44 CA ALA A 7 4.059 -7.349 -3.985 1.00 42.02 C ATOM 45 C ALA A 7 5.149 -7.583 -5.026 1.00 53.12 C ATOM 46 O ALA A 7 5.777 -8.642 -5.054 1.00 12.34 O ATOM 47 CB ALA A 7 2.688 -7.638 -4.579 1.00 25.22 C ATOM 0 H ALA A 7 3.262 -5.442 -3.631 1.00 33.42 H new ATOM 0 HA ALA A 7 4.234 -8.032 -3.154 1.00 42.02 H new ATOM 0 HB1 ALA A 7 2.664 -8.659 -4.960 1.00 25.22 H new ATOM 0 HB2 ALA A 7 1.926 -7.520 -3.809 1.00 25.22 H new ATOM 0 HB3 ALA A 7 2.491 -6.942 -5.394 1.00 25.22 H new ATOM 53 N ILE A 8 5.367 -6.589 -5.881 1.00 31.21 N ATOM 54 CA ILE A 8 6.381 -6.688 -6.923 1.00 50.23 C ATOM 55 C ILE A 8 7.783 -6.535 -6.343 1.00 32.53 C ATOM 56 O ILE A 8 8.732 -7.162 -6.813 1.00 32.34 O ATOM 57 CB ILE A 8 6.171 -5.622 -8.015 1.00 63.13 C ATOM 58 CG1 ILE A 8 4.780 -5.765 -8.637 1.00 45.50 C ATOM 59 CG2 ILE A 8 7.249 -5.738 -9.083 1.00 21.43 C ATOM 60 CD1 ILE A 8 3.726 -4.918 -7.959 1.00 30.10 C ATOM 0 H ILE A 8 4.855 -5.707 -5.872 1.00 31.21 H new ATOM 0 HA ILE A 8 6.281 -7.678 -7.368 1.00 50.23 H new ATOM 0 HB ILE A 8 6.245 -4.635 -7.558 1.00 63.13 H new ATOM 0 HG12 ILE A 8 4.832 -5.491 -9.691 1.00 45.50 H new ATOM 0 HG13 ILE A 8 4.477 -6.811 -8.594 1.00 45.50 H new ATOM 0 HG21 ILE A 8 7.087 -4.978 -9.848 1.00 21.43 H new ATOM 0 HG22 ILE A 8 8.229 -5.592 -8.628 1.00 21.43 H new ATOM 0 HG23 ILE A 8 7.204 -6.727 -9.539 1.00 21.43 H new ATOM 0 HD11 ILE A 8 2.765 -5.069 -8.452 1.00 30.10 H new ATOM 0 HD12 ILE A 8 3.646 -5.207 -6.911 1.00 30.10 H new ATOM 0 HD13 ILE A 8 4.006 -3.867 -8.025 1.00 30.10 H new ATOM 72 N ALA A 9 7.905 -5.700 -5.317 1.00 12.43 N ATOM 73 CA ALA A 9 9.190 -5.468 -4.669 1.00 13.32 C ATOM 74 C ALA A 9 9.607 -6.671 -3.830 1.00 73.11 C ATOM 75 O ALA A 9 10.796 -6.950 -3.673 1.00 54.21 O ATOM 76 CB ALA A 9 9.127 -4.216 -3.805 1.00 63.45 C ATOM 0 H ALA A 9 7.129 -5.173 -4.916 1.00 12.43 H new ATOM 0 HA ALA A 9 9.940 -5.323 -5.446 1.00 13.32 H new ATOM 0 HB1 ALA A 9 10.093 -4.055 -3.327 1.00 63.45 H new ATOM 0 HB2 ALA A 9 8.882 -3.356 -4.428 1.00 63.45 H new ATOM 0 HB3 ALA A 9 8.360 -4.340 -3.040 1.00 63.45 H new ATOM 82 N LYS A 10 8.621 -7.382 -3.292 1.00 41.52 N ATOM 83 CA LYS A 10 8.885 -8.556 -2.469 1.00 73.04 C ATOM 84 C LYS A 10 9.493 -9.679 -3.303 1.00 73.33 C ATOM 85 O LYS A 10 10.021 -10.652 -2.762 1.00 52.24 O ATOM 86 CB LYS A 10 7.593 -9.040 -1.807 1.00 20.23 C ATOM 87 CG LYS A 10 7.821 -10.054 -0.699 1.00 32.11 C ATOM 88 CD LYS A 10 6.604 -10.178 0.203 1.00 40.42 C ATOM 89 CE LYS A 10 6.877 -11.094 1.385 1.00 24.33 C ATOM 90 NZ LYS A 10 5.972 -10.806 2.532 1.00 41.51 N ATOM 0 H LYS A 10 7.632 -7.165 -3.412 1.00 41.52 H new ATOM 0 HA LYS A 10 9.599 -8.274 -1.695 1.00 73.04 H new ATOM 0 HB2 LYS A 10 7.060 -8.181 -1.398 1.00 20.23 H new ATOM 0 HB3 LYS A 10 6.949 -9.483 -2.567 1.00 20.23 H new ATOM 0 HG2 LYS A 10 8.052 -11.026 -1.136 1.00 32.11 H new ATOM 0 HG3 LYS A 10 8.686 -9.758 -0.106 1.00 32.11 H new ATOM 0 HD2 LYS A 10 6.316 -9.191 0.565 1.00 40.42 H new ATOM 0 HD3 LYS A 10 5.762 -10.565 -0.371 1.00 40.42 H new ATOM 0 HE2 LYS A 10 6.752 -12.132 1.076 1.00 24.33 H new ATOM 0 HE3 LYS A 10 7.913 -10.978 1.702 1.00 24.33 H new ATOM 0 HZ1 LYS A 10 6.190 -11.452 3.317 1.00 41.51 H new ATOM 0 HZ2 LYS A 10 6.109 -9.823 2.844 1.00 41.51 H new ATOM 0 HZ3 LYS A 10 4.984 -10.941 2.237 1.00 41.51 H new ATOM 104 N LEU A 11 9.416 -9.539 -4.622 1.00 3.30 N ATOM 105 CA LEU A 11 9.961 -10.541 -5.531 1.00 72.21 C ATOM 106 C LEU A 11 11.469 -10.374 -5.686 1.00 20.23 C ATOM 107 O LEU A 11 12.173 -11.315 -6.056 1.00 13.43 O ATOM 108 CB LEU A 11 9.282 -10.441 -6.898 1.00 42.44 C ATOM 109 CG LEU A 11 7.784 -10.137 -6.883 1.00 53.33 C ATOM 110 CD1 LEU A 11 7.275 -9.891 -8.295 1.00 75.41 C ATOM 111 CD2 LEU A 11 7.015 -11.275 -6.227 1.00 43.33 C ATOM 0 H LEU A 11 8.981 -8.741 -5.086 1.00 3.30 H new ATOM 0 HA LEU A 11 9.765 -11.525 -5.106 1.00 72.21 H new ATOM 0 HB2 LEU A 11 9.784 -9.664 -7.475 1.00 42.44 H new ATOM 0 HB3 LEU A 11 9.436 -11.381 -7.428 1.00 42.44 H new ATOM 0 HG LEU A 11 7.622 -9.232 -6.298 1.00 53.33 H new ATOM 0 HD11 LEU A 11 6.207 -9.676 -8.264 1.00 75.41 H new ATOM 0 HD12 LEU A 11 7.803 -9.042 -8.730 1.00 75.41 H new ATOM 0 HD13 LEU A 11 7.449 -10.778 -8.904 1.00 75.41 H new ATOM 0 HD21 LEU A 11 5.950 -11.041 -6.225 1.00 43.33 H new ATOM 0 HD22 LEU A 11 7.183 -12.197 -6.784 1.00 43.33 H new ATOM 0 HD23 LEU A 11 7.360 -11.403 -5.201 1.00 43.33 H new ATOM 123 N ILE A 12 11.959 -9.173 -5.398 1.00 54.12 N ATOM 124 CA ILE A 12 13.384 -8.884 -5.502 1.00 75.42 C ATOM 125 C ILE A 12 14.207 -9.885 -4.699 1.00 21.30 C ATOM 126 O ILE A 12 15.081 -10.573 -5.227 1.00 22.12 O ATOM 127 CB ILE A 12 13.707 -7.460 -5.013 1.00 33.45 C ATOM 128 CG1 ILE A 12 13.569 -6.459 -6.161 1.00 54.01 C ATOM 129 CG2 ILE A 12 15.108 -7.408 -4.423 1.00 23.41 C ATOM 130 CD1 ILE A 12 14.600 -6.645 -7.252 1.00 1.41 C ATOM 0 H ILE A 12 11.390 -8.384 -5.091 1.00 54.12 H new ATOM 0 HA ILE A 12 13.647 -8.965 -6.557 1.00 75.42 H new ATOM 0 HB ILE A 12 12.995 -7.189 -4.233 1.00 33.45 H new ATOM 0 HG12 ILE A 12 12.573 -6.550 -6.594 1.00 54.01 H new ATOM 0 HG13 ILE A 12 13.652 -5.448 -5.763 1.00 54.01 H new ATOM 0 HG21 ILE A 12 15.322 -6.395 -4.082 1.00 23.41 H new ATOM 0 HG22 ILE A 12 15.174 -8.096 -3.580 1.00 23.41 H new ATOM 0 HG23 ILE A 12 15.834 -7.695 -5.184 1.00 23.41 H new ATOM 0 HD11 ILE A 12 14.442 -5.901 -8.033 1.00 1.41 H new ATOM 0 HD12 ILE A 12 15.599 -6.524 -6.833 1.00 1.41 H new ATOM 0 HD13 ILE A 12 14.503 -7.644 -7.678 1.00 1.41 H new ATOM 142 N PRO A 13 13.922 -9.972 -3.391 1.00 42.31 N ATOM 143 CA PRO A 13 14.624 -10.888 -2.487 1.00 13.31 C ATOM 144 C PRO A 13 14.279 -12.348 -2.759 1.00 14.13 C ATOM 145 O PRO A 13 15.074 -13.247 -2.483 1.00 13.54 O ATOM 146 CB PRO A 13 14.125 -10.469 -1.101 1.00 63.44 C ATOM 147 CG PRO A 13 12.795 -9.847 -1.349 1.00 74.14 C ATOM 148 CD PRO A 13 12.893 -9.182 -2.695 1.00 33.15 C ATOM 0 HA PRO A 13 15.706 -10.826 -2.602 1.00 13.31 H new ATOM 0 HB2 PRO A 13 14.042 -11.327 -0.434 1.00 63.44 H new ATOM 0 HB3 PRO A 13 14.810 -9.764 -0.630 1.00 63.44 H new ATOM 0 HG2 PRO A 13 12.005 -10.598 -1.342 1.00 74.14 H new ATOM 0 HG3 PRO A 13 12.552 -9.122 -0.572 1.00 74.14 H new ATOM 0 HD2 PRO A 13 11.941 -9.206 -3.225 1.00 33.15 H new ATOM 0 HD3 PRO A 13 13.182 -8.135 -2.606 1.00 33.15 H new ATOM 156 N LYS A 14 13.088 -12.578 -3.302 1.00 21.51 N ATOM 157 CA LYS A 14 12.637 -13.930 -3.613 1.00 43.32 C ATOM 158 C LYS A 14 13.654 -14.654 -4.489 1.00 64.22 C ATOM 159 O LYS A 14 13.815 -15.872 -4.394 1.00 41.23 O ATOM 160 CB LYS A 14 11.280 -13.887 -4.318 1.00 52.24 C ATOM 161 CG LYS A 14 10.106 -14.161 -3.395 1.00 13.12 C ATOM 162 CD LYS A 14 9.836 -15.650 -3.263 1.00 74.42 C ATOM 163 CE LYS A 14 9.171 -16.209 -4.512 1.00 51.11 C ATOM 164 NZ LYS A 14 7.726 -15.853 -4.578 1.00 24.22 N ATOM 0 H LYS A 14 12.418 -11.846 -3.536 1.00 21.51 H new ATOM 0 HA LYS A 14 12.536 -14.477 -2.676 1.00 43.32 H new ATOM 0 HB2 LYS A 14 11.149 -12.907 -4.777 1.00 52.24 H new ATOM 0 HB3 LYS A 14 11.276 -14.620 -5.125 1.00 52.24 H new ATOM 0 HG2 LYS A 14 10.309 -13.739 -2.411 1.00 13.12 H new ATOM 0 HG3 LYS A 14 9.216 -13.662 -3.779 1.00 13.12 H new ATOM 0 HD2 LYS A 14 10.773 -16.176 -3.082 1.00 74.42 H new ATOM 0 HD3 LYS A 14 9.197 -15.830 -2.398 1.00 74.42 H new ATOM 0 HE2 LYS A 14 9.680 -15.826 -5.397 1.00 51.11 H new ATOM 0 HE3 LYS A 14 9.279 -17.294 -4.526 1.00 51.11 H new ATOM 0 HZ1 LYS A 14 7.294 -16.308 -5.407 1.00 24.22 H new ATOM 0 HZ2 LYS A 14 7.248 -16.181 -3.714 1.00 24.22 H new ATOM 0 HZ3 LYS A 14 7.626 -14.821 -4.659 1.00 24.22 H new ATOM 178 N LEU A 15 14.340 -13.899 -5.340 1.00 53.13 N ATOM 179 CA LEU A 15 15.343 -14.469 -6.233 1.00 22.25 C ATOM 180 C LEU A 15 16.704 -14.541 -5.547 1.00 33.34 C ATOM 181 O LEU A 15 17.509 -15.426 -5.834 1.00 31.15 O ATOM 182 CB LEU A 15 15.448 -13.638 -7.512 1.00 51.32 C ATOM 183 CG LEU A 15 14.223 -13.658 -8.428 1.00 4.12 C ATOM 184 CD1 LEU A 15 14.111 -12.351 -9.198 1.00 31.24 C ATOM 185 CD2 LEU A 15 14.293 -14.839 -9.385 1.00 52.32 C ATOM 0 H LEU A 15 14.220 -12.890 -5.431 1.00 53.13 H new ATOM 0 HA LEU A 15 15.031 -15.481 -6.490 1.00 22.25 H new ATOM 0 HB2 LEU A 15 15.652 -12.604 -7.234 1.00 51.32 H new ATOM 0 HB3 LEU A 15 16.308 -13.991 -8.081 1.00 51.32 H new ATOM 0 HG LEU A 15 13.332 -13.769 -7.810 1.00 4.12 H new ATOM 0 HD11 LEU A 15 13.234 -12.384 -9.844 1.00 31.24 H new ATOM 0 HD12 LEU A 15 14.014 -11.522 -8.496 1.00 31.24 H new ATOM 0 HD13 LEU A 15 15.005 -12.209 -9.806 1.00 31.24 H new ATOM 0 HD21 LEU A 15 13.414 -14.838 -10.029 1.00 52.32 H new ATOM 0 HD22 LEU A 15 15.191 -14.759 -9.997 1.00 52.32 H new ATOM 0 HD23 LEU A 15 14.324 -15.768 -8.815 1.00 52.32 H new ATOM 197 N GLY A 16 16.953 -13.604 -4.637 1.00 35.34 N ATOM 198 CA GLY A 16 18.216 -13.581 -3.922 1.00 55.22 C ATOM 199 C GLY A 16 18.479 -14.869 -3.168 1.00 10.12 C ATOM 200 O GLY A 16 19.630 -15.268 -2.992 1.00 54.20 O ATOM 0 H GLY A 16 16.303 -12.861 -4.382 1.00 35.34 H new ATOM 0 HA2 GLY A 16 19.027 -13.405 -4.629 1.00 55.22 H new ATOM 0 HA3 GLY A 16 18.218 -12.746 -3.221 1.00 55.22 H new ATOM 204 N GLU A 17 17.410 -15.520 -2.720 1.00 10.23 N ATOM 205 CA GLU A 17 17.533 -16.769 -1.978 1.00 34.13 C ATOM 206 C GLU A 17 18.275 -17.819 -2.799 1.00 24.01 C ATOM 207 O GLU A 17 18.994 -18.657 -2.252 1.00 74.33 O ATOM 208 CB GLU A 17 16.149 -17.295 -1.589 1.00 3.13 C ATOM 209 CG GLU A 17 16.193 -18.451 -0.603 1.00 55.51 C ATOM 210 CD GLU A 17 15.046 -19.424 -0.795 1.00 63.44 C ATOM 211 OE1 GLU A 17 14.813 -19.845 -1.948 1.00 63.21 O ATOM 212 OE2 GLU A 17 14.382 -19.766 0.206 1.00 44.54 O ATOM 0 H GLU A 17 16.450 -15.203 -2.858 1.00 10.23 H new ATOM 0 HA GLU A 17 18.106 -16.569 -1.073 1.00 34.13 H new ATOM 0 HB2 GLU A 17 15.568 -16.481 -1.156 1.00 3.13 H new ATOM 0 HB3 GLU A 17 15.625 -17.616 -2.489 1.00 3.13 H new ATOM 0 HG2 GLU A 17 17.138 -18.983 -0.714 1.00 55.51 H new ATOM 0 HG3 GLU A 17 16.165 -18.058 0.413 1.00 55.51 H new ATOM 219 N LEU A 18 18.097 -17.767 -4.114 1.00 61.43 N ATOM 220 CA LEU A 18 18.749 -18.714 -5.013 1.00 5.25 C ATOM 221 C LEU A 18 20.096 -18.176 -5.486 1.00 51.40 C ATOM 222 O LEU A 18 20.925 -18.921 -6.009 1.00 43.03 O ATOM 223 CB LEU A 18 17.852 -19.006 -6.217 1.00 2.15 C ATOM 224 CG LEU A 18 16.883 -20.178 -6.062 1.00 73.23 C ATOM 225 CD1 LEU A 18 17.637 -21.499 -6.070 1.00 75.03 C ATOM 226 CD2 LEU A 18 16.070 -20.034 -4.784 1.00 1.41 C ATOM 0 H LEU A 18 17.507 -17.079 -4.582 1.00 61.43 H new ATOM 0 HA LEU A 18 18.921 -19.640 -4.463 1.00 5.25 H new ATOM 0 HB2 LEU A 18 17.274 -18.109 -6.440 1.00 2.15 H new ATOM 0 HB3 LEU A 18 18.488 -19.198 -7.081 1.00 2.15 H new ATOM 0 HG LEU A 18 16.196 -20.170 -6.908 1.00 73.23 H new ATOM 0 HD11 LEU A 18 16.931 -22.322 -5.959 1.00 75.03 H new ATOM 0 HD12 LEU A 18 18.173 -21.606 -7.013 1.00 75.03 H new ATOM 0 HD13 LEU A 18 18.348 -21.517 -5.244 1.00 75.03 H new ATOM 0 HD21 LEU A 18 15.386 -20.877 -4.691 1.00 1.41 H new ATOM 0 HD22 LEU A 18 16.742 -20.015 -3.926 1.00 1.41 H new ATOM 0 HD23 LEU A 18 15.499 -19.106 -4.818 1.00 1.41 H new ATOM 238 N LEU A 19 20.308 -16.878 -5.297 1.00 52.13 N ATOM 239 CA LEU A 19 21.555 -16.239 -5.703 1.00 22.41 C ATOM 240 C LEU A 19 22.565 -16.241 -4.559 1.00 73.14 C ATOM 241 O LEU A 19 23.761 -16.045 -4.773 1.00 62.52 O ATOM 242 CB LEU A 19 21.291 -14.805 -6.163 1.00 14.33 C ATOM 243 CG LEU A 19 20.371 -14.647 -7.374 1.00 41.12 C ATOM 244 CD1 LEU A 19 20.335 -13.197 -7.832 1.00 30.03 C ATOM 245 CD2 LEU A 19 20.823 -15.555 -8.509 1.00 1.13 C ATOM 0 H LEU A 19 19.632 -16.248 -4.865 1.00 52.13 H new ATOM 0 HA LEU A 19 21.973 -16.808 -6.533 1.00 22.41 H new ATOM 0 HB2 LEU A 19 20.859 -14.251 -5.329 1.00 14.33 H new ATOM 0 HB3 LEU A 19 22.248 -14.337 -6.395 1.00 14.33 H new ATOM 0 HG LEU A 19 19.363 -14.939 -7.080 1.00 41.12 H new ATOM 0 HD11 LEU A 19 19.675 -13.104 -8.695 1.00 30.03 H new ATOM 0 HD12 LEU A 19 19.964 -12.569 -7.022 1.00 30.03 H new ATOM 0 HD13 LEU A 19 21.340 -12.878 -8.108 1.00 30.03 H new ATOM 0 HD21 LEU A 19 20.157 -15.430 -9.363 1.00 1.13 H new ATOM 0 HD22 LEU A 19 21.840 -15.294 -8.801 1.00 1.13 H new ATOM 0 HD23 LEU A 19 20.796 -16.593 -8.177 1.00 1.13 H new ATOM 257 N VAL A 20 22.074 -16.465 -3.344 1.00 64.33 N ATOM 258 CA VAL A 20 22.934 -16.496 -2.167 1.00 31.11 C ATOM 259 C VAL A 20 23.649 -17.837 -2.043 1.00 54.02 C ATOM 260 O VAL A 20 24.705 -17.934 -1.420 1.00 33.22 O ATOM 261 CB VAL A 20 22.131 -16.234 -0.879 1.00 11.01 C ATOM 262 CG1 VAL A 20 21.564 -14.822 -0.881 1.00 25.35 C ATOM 263 CG2 VAL A 20 21.021 -17.263 -0.725 1.00 53.42 C ATOM 0 H VAL A 20 21.086 -16.628 -3.149 1.00 64.33 H new ATOM 0 HA VAL A 20 23.673 -15.705 -2.294 1.00 31.11 H new ATOM 0 HB VAL A 20 22.804 -16.328 -0.026 1.00 11.01 H new ATOM 0 HG11 VAL A 20 21.000 -14.655 0.037 1.00 25.35 H new ATOM 0 HG12 VAL A 20 22.380 -14.102 -0.941 1.00 25.35 H new ATOM 0 HG13 VAL A 20 20.905 -14.696 -1.740 1.00 25.35 H new ATOM 0 HG21 VAL A 20 20.464 -17.063 0.190 1.00 53.42 H new ATOM 0 HG22 VAL A 20 20.348 -17.203 -1.580 1.00 53.42 H new ATOM 0 HG23 VAL A 20 21.455 -18.262 -0.675 1.00 53.42 H new ATOM 273 N GLY A 21 23.065 -18.870 -2.643 1.00 32.44 N ATOM 274 CA GLY A 21 23.660 -20.193 -2.588 1.00 40.32 C ATOM 275 C GLY A 21 22.815 -21.177 -1.804 1.00 22.01 C ATOM 276 O GLY A 21 22.998 -22.389 -1.916 1.00 43.44 O ATOM 0 H GLY A 21 22.191 -18.814 -3.166 1.00 32.44 H new ATOM 0 HA2 GLY A 21 23.801 -20.567 -3.602 1.00 40.32 H new ATOM 0 HA3 GLY A 21 24.648 -20.125 -2.133 1.00 40.32 H new ATOM 280 N GLU A 22 21.889 -20.655 -1.006 1.00 74.21 N ATOM 281 CA GLU A 22 21.015 -21.498 -0.198 1.00 53.32 C ATOM 282 C GLU A 22 19.982 -22.205 -1.071 1.00 21.21 C ATOM 283 O GLU A 22 18.828 -21.785 -1.150 1.00 15.02 O ATOM 284 CB GLU A 22 20.308 -20.661 0.870 1.00 21.04 C ATOM 285 CG GLU A 22 21.083 -20.558 2.173 1.00 12.34 C ATOM 286 CD GLU A 22 22.074 -19.410 2.174 1.00 52.05 C ATOM 287 OE1 GLU A 22 23.181 -19.581 1.622 1.00 72.12 O ATOM 288 OE2 GLU A 22 21.741 -18.340 2.726 1.00 64.13 O ATOM 0 H GLU A 22 21.725 -19.654 -0.902 1.00 74.21 H new ATOM 0 HA GLU A 22 21.631 -22.253 0.290 1.00 53.32 H new ATOM 0 HB2 GLU A 22 20.136 -19.658 0.479 1.00 21.04 H new ATOM 0 HB3 GLU A 22 19.329 -21.096 1.072 1.00 21.04 H new ATOM 0 HG2 GLU A 22 20.383 -20.429 2.998 1.00 12.34 H new ATOM 0 HG3 GLU A 22 21.615 -21.493 2.349 1.00 12.34 H new ATOM 295 N TYR A 23 20.406 -23.281 -1.725 1.00 5.22 N ATOM 296 CA TYR A 23 19.521 -24.045 -2.594 1.00 74.55 C ATOM 297 C TYR A 23 20.176 -25.354 -3.025 1.00 21.22 C ATOM 298 O TYR A 23 21.401 -25.476 -3.034 1.00 2.32 O ATOM 299 CB TYR A 23 19.145 -23.221 -3.827 1.00 11.01 C ATOM 300 CG TYR A 23 20.298 -22.993 -4.777 1.00 44.33 C ATOM 301 CD1 TYR A 23 21.151 -21.908 -4.618 1.00 43.53 C ATOM 302 CD2 TYR A 23 20.536 -23.863 -5.834 1.00 71.11 C ATOM 303 CE1 TYR A 23 22.206 -21.695 -5.485 1.00 12.22 C ATOM 304 CE2 TYR A 23 21.589 -23.659 -6.705 1.00 20.03 C ATOM 305 CZ TYR A 23 22.421 -22.573 -6.526 1.00 72.32 C ATOM 306 OH TYR A 23 23.471 -22.366 -7.391 1.00 1.33 O ATOM 0 H TYR A 23 21.358 -23.643 -1.669 1.00 5.22 H new ATOM 0 HA TYR A 23 18.617 -24.279 -2.032 1.00 74.55 H new ATOM 0 HB2 TYR A 23 18.340 -23.727 -4.360 1.00 11.01 H new ATOM 0 HB3 TYR A 23 18.755 -22.256 -3.504 1.00 11.01 H new ATOM 0 HD1 TYR A 23 20.987 -21.219 -3.803 1.00 43.53 H new ATOM 0 HD2 TYR A 23 19.886 -24.714 -5.977 1.00 71.11 H new ATOM 0 HE1 TYR A 23 22.858 -20.845 -5.348 1.00 12.22 H new ATOM 0 HE2 TYR A 23 21.760 -24.346 -7.521 1.00 20.03 H new ATOM 0 HH TYR A 23 23.483 -23.075 -8.067 1.00 1.33 H new ATOM 316 N LYS A 24 19.351 -26.332 -3.382 1.00 34.21 N ATOM 317 CA LYS A 24 19.847 -27.633 -3.816 1.00 12.32 C ATOM 318 C LYS A 24 19.651 -27.817 -5.317 1.00 51.53 C ATOM 319 O LYS A 24 18.804 -28.598 -5.752 1.00 52.12 O ATOM 320 CB LYS A 24 19.133 -28.753 -3.057 1.00 34.33 C ATOM 321 CG LYS A 24 19.665 -30.140 -3.376 1.00 10.51 C ATOM 322 CD LYS A 24 20.773 -30.545 -2.419 1.00 31.54 C ATOM 323 CE LYS A 24 22.147 -30.332 -3.034 1.00 63.42 C ATOM 324 NZ LYS A 24 22.578 -31.502 -3.849 1.00 75.21 N ATOM 0 H LYS A 24 18.334 -26.248 -3.379 1.00 34.21 H new ATOM 0 HA LYS A 24 20.914 -27.678 -3.599 1.00 12.32 H new ATOM 0 HB2 LYS A 24 19.229 -28.574 -1.986 1.00 34.33 H new ATOM 0 HB3 LYS A 24 18.069 -28.718 -3.291 1.00 34.33 H new ATOM 0 HG2 LYS A 24 18.852 -30.864 -3.321 1.00 10.51 H new ATOM 0 HG3 LYS A 24 20.041 -30.160 -4.399 1.00 10.51 H new ATOM 0 HD2 LYS A 24 20.691 -29.965 -1.500 1.00 31.54 H new ATOM 0 HD3 LYS A 24 20.654 -31.594 -2.146 1.00 31.54 H new ATOM 0 HE2 LYS A 24 22.130 -29.440 -3.660 1.00 63.42 H new ATOM 0 HE3 LYS A 24 22.875 -30.153 -2.243 1.00 63.42 H new ATOM 0 HZ1 LYS A 24 23.519 -31.317 -4.251 1.00 75.21 H new ATOM 0 HZ2 LYS A 24 22.619 -32.349 -3.246 1.00 75.21 H new ATOM 0 HZ3 LYS A 24 21.897 -31.658 -4.620 1.00 75.21 H new ATOM 338 N LEU A 25 20.439 -27.094 -6.105 1.00 4.30 N ATOM 339 CA LEU A 25 20.354 -27.178 -7.559 1.00 33.22 C ATOM 340 C LEU A 25 21.726 -26.990 -8.197 1.00 42.21 C ATOM 341 O LEU A 25 22.701 -26.668 -7.516 1.00 35.51 O ATOM 342 CB LEU A 25 19.381 -26.126 -8.094 1.00 71.11 C ATOM 343 CG LEU A 25 18.035 -26.029 -7.375 1.00 0.32 C ATOM 344 CD1 LEU A 25 17.332 -24.728 -7.731 1.00 4.22 C ATOM 345 CD2 LEU A 25 17.158 -27.223 -7.721 1.00 13.01 C ATOM 0 H LEU A 25 21.145 -26.443 -5.761 1.00 4.30 H new ATOM 0 HA LEU A 25 19.986 -28.170 -7.820 1.00 33.22 H new ATOM 0 HB2 LEU A 25 19.867 -25.152 -8.045 1.00 71.11 H new ATOM 0 HB3 LEU A 25 19.193 -26.336 -9.147 1.00 71.11 H new ATOM 0 HG LEU A 25 18.218 -26.037 -6.300 1.00 0.32 H new ATOM 0 HD11 LEU A 25 16.376 -24.677 -7.210 1.00 4.22 H new ATOM 0 HD12 LEU A 25 17.954 -23.885 -7.432 1.00 4.22 H new ATOM 0 HD13 LEU A 25 17.161 -24.689 -8.807 1.00 4.22 H new ATOM 0 HD21 LEU A 25 16.204 -27.137 -7.200 1.00 13.01 H new ATOM 0 HD22 LEU A 25 16.983 -27.247 -8.797 1.00 13.01 H new ATOM 0 HD23 LEU A 25 17.657 -28.142 -7.414 1.00 13.01 H new ATOM 357 N HIS A 26 21.795 -27.190 -9.509 1.00 44.44 N ATOM 358 CA HIS A 26 23.048 -27.039 -10.241 1.00 4.13 C ATOM 359 C HIS A 26 23.526 -25.590 -10.207 1.00 23.32 C ATOM 360 O HIS A 26 22.761 -24.680 -9.888 1.00 20.11 O ATOM 361 CB HIS A 26 22.876 -27.498 -11.689 1.00 45.41 C ATOM 362 CG HIS A 26 24.162 -27.889 -12.350 1.00 22.21 C ATOM 363 ND1 HIS A 26 25.178 -28.547 -11.689 1.00 44.51 N ATOM 364 CD2 HIS A 26 24.594 -27.714 -13.621 1.00 35.11 C ATOM 365 CE1 HIS A 26 26.180 -28.757 -12.524 1.00 72.25 C ATOM 366 NE2 HIS A 26 25.850 -28.262 -13.704 1.00 31.03 N ATOM 0 H HIS A 26 20.998 -27.457 -10.087 1.00 44.44 H new ATOM 0 HA HIS A 26 23.800 -27.663 -9.757 1.00 4.13 H new ATOM 0 HB2 HIS A 26 22.192 -28.346 -11.714 1.00 45.41 H new ATOM 0 HB3 HIS A 26 22.411 -26.696 -12.263 1.00 45.41 H new ATOM 0 HD2 HIS A 26 24.051 -27.233 -14.421 1.00 35.11 H new ATOM 0 HE1 HIS A 26 27.111 -29.249 -12.283 1.00 72.25 H new ATOM 0 HE2 HIS A 26 26.433 -28.284 -14.540 1.00 31.03 H new ATOM 374 N LYS A 27 24.797 -25.384 -10.537 1.00 14.41 N ATOM 375 CA LYS A 27 25.378 -24.046 -10.545 1.00 73.42 C ATOM 376 C LYS A 27 24.828 -23.222 -11.705 1.00 4.42 C ATOM 377 O LYS A 27 24.438 -22.068 -11.529 1.00 35.54 O ATOM 378 CB LYS A 27 26.903 -24.131 -10.643 1.00 34.10 C ATOM 379 CG LYS A 27 27.576 -24.500 -9.333 1.00 25.32 C ATOM 380 CD LYS A 27 27.660 -26.007 -9.154 1.00 4.10 C ATOM 381 CE LYS A 27 28.531 -26.379 -7.964 1.00 23.31 C ATOM 382 NZ LYS A 27 28.687 -27.854 -7.831 1.00 23.23 N ATOM 0 H LYS A 27 25.444 -26.126 -10.802 1.00 14.41 H new ATOM 0 HA LYS A 27 25.107 -23.553 -9.611 1.00 73.42 H new ATOM 0 HB2 LYS A 27 27.170 -24.869 -11.399 1.00 34.10 H new ATOM 0 HB3 LYS A 27 27.291 -23.171 -10.984 1.00 34.10 H new ATOM 0 HG2 LYS A 27 28.578 -24.073 -9.305 1.00 25.32 H new ATOM 0 HG3 LYS A 27 27.021 -24.064 -8.502 1.00 25.32 H new ATOM 0 HD2 LYS A 27 26.659 -26.414 -9.015 1.00 4.10 H new ATOM 0 HD3 LYS A 27 28.065 -26.460 -10.059 1.00 4.10 H new ATOM 0 HE2 LYS A 27 29.513 -25.918 -8.074 1.00 23.31 H new ATOM 0 HE3 LYS A 27 28.091 -25.977 -7.052 1.00 23.31 H new ATOM 0 HZ1 LYS A 27 29.287 -28.067 -7.009 1.00 23.23 H new ATOM 0 HZ2 LYS A 27 27.753 -28.292 -7.700 1.00 23.23 H new ATOM 0 HZ3 LYS A 27 29.130 -28.235 -8.691 1.00 23.23 H new ATOM 396 N GLY A 28 24.801 -23.821 -12.891 1.00 74.51 N ATOM 397 CA GLY A 28 24.296 -23.128 -14.062 1.00 0.44 C ATOM 398 C GLY A 28 22.920 -22.533 -13.835 1.00 21.30 C ATOM 399 O GLY A 28 22.587 -21.489 -14.396 1.00 33.34 O ATOM 0 H GLY A 28 25.120 -24.775 -13.062 1.00 74.51 H new ATOM 0 HA2 GLY A 28 24.990 -22.335 -14.339 1.00 0.44 H new ATOM 0 HA3 GLY A 28 24.254 -23.822 -14.901 1.00 0.44 H new ATOM 403 N VAL A 29 22.117 -23.200 -13.012 1.00 24.24 N ATOM 404 CA VAL A 29 20.769 -22.732 -12.713 1.00 23.15 C ATOM 405 C VAL A 29 20.782 -21.280 -12.247 1.00 23.52 C ATOM 406 O VAL A 29 19.827 -20.536 -12.470 1.00 63.32 O ATOM 407 CB VAL A 29 20.101 -23.601 -11.631 1.00 13.14 C ATOM 408 CG1 VAL A 29 18.701 -23.089 -11.324 1.00 63.33 C ATOM 409 CG2 VAL A 29 20.061 -25.058 -12.067 1.00 0.40 C ATOM 0 H VAL A 29 22.377 -24.066 -12.540 1.00 24.24 H new ATOM 0 HA VAL A 29 20.195 -22.809 -13.636 1.00 23.15 H new ATOM 0 HB VAL A 29 20.694 -23.535 -10.719 1.00 13.14 H new ATOM 0 HG11 VAL A 29 18.245 -23.715 -10.557 1.00 63.33 H new ATOM 0 HG12 VAL A 29 18.760 -22.061 -10.965 1.00 63.33 H new ATOM 0 HG13 VAL A 29 18.094 -23.123 -12.229 1.00 63.33 H new ATOM 0 HG21 VAL A 29 19.586 -25.657 -11.290 1.00 0.40 H new ATOM 0 HG22 VAL A 29 19.491 -25.145 -12.992 1.00 0.40 H new ATOM 0 HG23 VAL A 29 21.077 -25.417 -12.231 1.00 0.40 H new ATOM 419 N LYS A 30 21.872 -20.883 -11.598 1.00 54.21 N ATOM 420 CA LYS A 30 22.012 -19.519 -11.101 1.00 72.24 C ATOM 421 C LYS A 30 21.870 -18.510 -12.236 1.00 3.40 C ATOM 422 O LYS A 30 21.222 -17.474 -12.083 1.00 20.24 O ATOM 423 CB LYS A 30 23.367 -19.342 -10.413 1.00 21.10 C ATOM 424 CG LYS A 30 23.414 -19.914 -9.007 1.00 23.13 C ATOM 425 CD LYS A 30 23.111 -18.853 -7.962 1.00 50.25 C ATOM 426 CE LYS A 30 24.252 -17.855 -7.834 1.00 20.32 C ATOM 427 NZ LYS A 30 25.536 -18.523 -7.483 1.00 32.42 N ATOM 0 H LYS A 30 22.671 -21.487 -11.404 1.00 54.21 H new ATOM 0 HA LYS A 30 21.218 -19.339 -10.377 1.00 72.24 H new ATOM 0 HB2 LYS A 30 24.137 -19.821 -11.017 1.00 21.10 H new ATOM 0 HB3 LYS A 30 23.609 -18.280 -10.372 1.00 21.10 H new ATOM 0 HG2 LYS A 30 22.694 -20.727 -8.920 1.00 23.13 H new ATOM 0 HG3 LYS A 30 24.400 -20.340 -8.819 1.00 23.13 H new ATOM 0 HD2 LYS A 30 22.195 -18.327 -8.231 1.00 50.25 H new ATOM 0 HD3 LYS A 30 22.934 -19.330 -6.998 1.00 50.25 H new ATOM 0 HE2 LYS A 30 24.369 -17.314 -8.773 1.00 20.32 H new ATOM 0 HE3 LYS A 30 24.006 -17.117 -7.070 1.00 20.32 H new ATOM 0 HZ1 LYS A 30 26.186 -17.828 -7.063 1.00 32.42 H new ATOM 0 HZ2 LYS A 30 25.355 -19.285 -6.799 1.00 32.42 H new ATOM 0 HZ3 LYS A 30 25.965 -18.923 -8.342 1.00 32.42 H new ATOM 441 N LYS A 31 22.480 -18.818 -13.376 1.00 13.03 N ATOM 442 CA LYS A 31 22.420 -17.940 -14.538 1.00 11.40 C ATOM 443 C LYS A 31 20.977 -17.572 -14.869 1.00 32.25 C ATOM 444 O LYS A 31 20.706 -16.492 -15.392 1.00 70.41 O ATOM 445 CB LYS A 31 23.075 -18.613 -15.746 1.00 5.31 C ATOM 446 CG LYS A 31 22.151 -19.560 -16.490 1.00 71.42 C ATOM 447 CD LYS A 31 22.931 -20.633 -17.232 1.00 21.15 C ATOM 448 CE LYS A 31 23.464 -20.117 -18.559 1.00 62.23 C ATOM 449 NZ LYS A 31 24.285 -21.141 -19.263 1.00 24.12 N ATOM 0 H LYS A 31 23.022 -19.670 -13.519 1.00 13.03 H new ATOM 0 HA LYS A 31 22.964 -17.026 -14.299 1.00 11.40 H new ATOM 0 HB2 LYS A 31 23.424 -17.844 -16.435 1.00 5.31 H new ATOM 0 HB3 LYS A 31 23.954 -19.164 -15.412 1.00 5.31 H new ATOM 0 HG2 LYS A 31 21.465 -20.030 -15.785 1.00 71.42 H new ATOM 0 HG3 LYS A 31 21.543 -18.996 -17.198 1.00 71.42 H new ATOM 0 HD2 LYS A 31 23.761 -20.974 -16.613 1.00 21.15 H new ATOM 0 HD3 LYS A 31 22.288 -21.496 -17.408 1.00 21.15 H new ATOM 0 HE2 LYS A 31 22.630 -19.821 -19.195 1.00 62.23 H new ATOM 0 HE3 LYS A 31 24.066 -19.225 -18.386 1.00 62.23 H new ATOM 0 HZ1 LYS A 31 24.630 -20.751 -20.163 1.00 24.12 H new ATOM 0 HZ2 LYS A 31 25.095 -21.406 -18.667 1.00 24.12 H new ATOM 0 HZ3 LYS A 31 23.704 -21.983 -19.451 1.00 24.12 H new ATOM 463 N ASN A 32 20.054 -18.477 -14.558 1.00 24.22 N ATOM 464 CA ASN A 32 18.639 -18.247 -14.821 1.00 74.23 C ATOM 465 C ASN A 32 18.045 -17.280 -13.801 1.00 25.30 C ATOM 466 O ASN A 32 17.411 -16.290 -14.165 1.00 43.34 O ATOM 467 CB ASN A 32 17.871 -19.571 -14.792 1.00 45.34 C ATOM 468 CG ASN A 32 16.596 -19.517 -15.610 1.00 74.33 C ATOM 469 OD1 ASN A 32 15.819 -18.568 -15.508 1.00 52.32 O ATOM 470 ND2 ASN A 32 16.374 -20.540 -16.427 1.00 74.35 N ATOM 0 H ASN A 32 20.261 -19.376 -14.124 1.00 24.22 H new ATOM 0 HA ASN A 32 18.548 -17.803 -15.812 1.00 74.23 H new ATOM 0 HB2 ASN A 32 18.510 -20.367 -15.173 1.00 45.34 H new ATOM 0 HB3 ASN A 32 17.627 -19.824 -13.760 1.00 45.34 H new ATOM 0 HD21 ASN A 32 15.532 -20.560 -17.002 1.00 74.35 H new ATOM 0 HD22 ASN A 32 17.046 -21.306 -16.480 1.00 74.35 H new ATOM 477 N ILE A 33 18.257 -17.575 -12.523 1.00 14.13 N ATOM 478 CA ILE A 33 17.745 -16.731 -11.450 1.00 74.11 C ATOM 479 C ILE A 33 18.282 -15.309 -11.566 1.00 14.52 C ATOM 480 O ILE A 33 17.517 -14.344 -11.558 1.00 25.11 O ATOM 481 CB ILE A 33 18.112 -17.296 -10.065 1.00 44.42 C ATOM 482 CG1 ILE A 33 17.634 -18.743 -9.937 1.00 21.30 C ATOM 483 CG2 ILE A 33 17.511 -16.434 -8.965 1.00 50.22 C ATOM 484 CD1 ILE A 33 16.130 -18.890 -9.999 1.00 71.44 C ATOM 0 H ILE A 33 18.779 -18.391 -12.205 1.00 14.13 H new ATOM 0 HA ILE A 33 16.660 -16.716 -11.551 1.00 74.11 H new ATOM 0 HB ILE A 33 19.197 -17.281 -9.959 1.00 44.42 H new ATOM 0 HG12 ILE A 33 18.082 -19.337 -10.734 1.00 21.30 H new ATOM 0 HG13 ILE A 33 17.992 -19.153 -8.993 1.00 21.30 H new ATOM 0 HG21 ILE A 33 17.779 -16.846 -7.992 1.00 50.22 H new ATOM 0 HG22 ILE A 33 17.897 -15.418 -9.047 1.00 50.22 H new ATOM 0 HG23 ILE A 33 16.426 -16.419 -9.066 1.00 50.22 H new ATOM 0 HD11 ILE A 33 15.863 -19.942 -9.902 1.00 71.44 H new ATOM 0 HD12 ILE A 33 15.675 -18.324 -9.186 1.00 71.44 H new ATOM 0 HD13 ILE A 33 15.766 -18.510 -10.954 1.00 71.44 H new ATOM 496 N GLU A 34 19.601 -15.187 -11.675 1.00 51.10 N ATOM 497 CA GLU A 34 20.240 -13.881 -11.794 1.00 33.43 C ATOM 498 C GLU A 34 19.630 -13.080 -12.940 1.00 42.41 C ATOM 499 O GLU A 34 19.552 -11.852 -12.880 1.00 72.45 O ATOM 500 CB GLU A 34 21.745 -14.044 -12.014 1.00 41.21 C ATOM 501 CG GLU A 34 22.107 -14.530 -13.407 1.00 43.14 C ATOM 502 CD GLU A 34 23.606 -14.616 -13.624 1.00 53.11 C ATOM 503 OE1 GLU A 34 24.259 -15.431 -12.940 1.00 32.10 O ATOM 504 OE2 GLU A 34 24.125 -13.868 -14.479 1.00 12.43 O ATOM 0 H GLU A 34 20.248 -15.976 -11.683 1.00 51.10 H new ATOM 0 HA GLU A 34 20.073 -13.336 -10.865 1.00 33.43 H new ATOM 0 HB2 GLU A 34 22.236 -13.088 -11.833 1.00 41.21 H new ATOM 0 HB3 GLU A 34 22.137 -14.748 -11.280 1.00 41.21 H new ATOM 0 HG2 GLU A 34 21.663 -15.512 -13.572 1.00 43.14 H new ATOM 0 HG3 GLU A 34 21.675 -13.856 -14.147 1.00 43.14 H new ATOM 511 N ASP A 35 19.201 -13.782 -13.983 1.00 31.14 N ATOM 512 CA ASP A 35 18.598 -13.137 -15.143 1.00 71.12 C ATOM 513 C ASP A 35 17.201 -12.620 -14.813 1.00 22.00 C ATOM 514 O ASP A 35 16.757 -11.609 -15.358 1.00 51.22 O ATOM 515 CB ASP A 35 18.529 -14.114 -16.318 1.00 20.11 C ATOM 516 CG ASP A 35 19.779 -14.078 -17.175 1.00 52.33 C ATOM 517 OD1 ASP A 35 20.826 -13.613 -16.678 1.00 43.04 O ATOM 518 OD2 ASP A 35 19.710 -14.515 -18.343 1.00 13.41 O ATOM 0 H ASP A 35 19.260 -14.798 -14.049 1.00 31.14 H new ATOM 0 HA ASP A 35 19.223 -12.289 -15.422 1.00 71.12 H new ATOM 0 HB2 ASP A 35 18.382 -15.125 -15.938 1.00 20.11 H new ATOM 0 HB3 ASP A 35 17.662 -13.876 -16.935 1.00 20.11 H new ATOM 523 N LEU A 36 16.513 -13.320 -13.918 1.00 61.42 N ATOM 524 CA LEU A 36 15.165 -12.933 -13.516 1.00 25.05 C ATOM 525 C LEU A 36 15.199 -11.704 -12.613 1.00 40.31 C ATOM 526 O LEU A 36 14.353 -10.815 -12.724 1.00 61.32 O ATOM 527 CB LEU A 36 14.475 -14.091 -12.793 1.00 70.34 C ATOM 528 CG LEU A 36 13.651 -15.034 -13.671 1.00 41.13 C ATOM 529 CD1 LEU A 36 14.502 -16.201 -14.146 1.00 63.33 C ATOM 530 CD2 LEU A 36 12.429 -15.535 -12.915 1.00 63.23 C ATOM 0 H LEU A 36 16.866 -14.158 -13.457 1.00 61.42 H new ATOM 0 HA LEU A 36 14.601 -12.686 -14.415 1.00 25.05 H new ATOM 0 HB2 LEU A 36 15.236 -14.678 -12.279 1.00 70.34 H new ATOM 0 HB3 LEU A 36 13.821 -13.676 -12.026 1.00 70.34 H new ATOM 0 HG LEU A 36 13.310 -14.480 -14.546 1.00 41.13 H new ATOM 0 HD11 LEU A 36 13.899 -16.861 -14.769 1.00 63.33 H new ATOM 0 HD12 LEU A 36 15.345 -15.825 -14.726 1.00 63.33 H new ATOM 0 HD13 LEU A 36 14.873 -16.755 -13.284 1.00 63.33 H new ATOM 0 HD21 LEU A 36 11.854 -16.205 -13.555 1.00 63.23 H new ATOM 0 HD22 LEU A 36 12.749 -16.072 -12.022 1.00 63.23 H new ATOM 0 HD23 LEU A 36 11.807 -14.688 -12.626 1.00 63.23 H new ATOM 542 N LEU A 37 16.182 -11.658 -11.721 1.00 44.11 N ATOM 543 CA LEU A 37 16.328 -10.536 -10.800 1.00 43.12 C ATOM 544 C LEU A 37 16.729 -9.267 -11.547 1.00 20.44 C ATOM 545 O LEU A 37 16.320 -8.164 -11.183 1.00 22.51 O ATOM 546 CB LEU A 37 17.371 -10.862 -9.729 1.00 53.12 C ATOM 547 CG LEU A 37 17.643 -9.763 -8.701 1.00 63.14 C ATOM 548 CD1 LEU A 37 16.353 -9.340 -8.017 1.00 72.02 C ATOM 549 CD2 LEU A 37 18.664 -10.234 -7.675 1.00 53.13 C ATOM 0 H LEU A 37 16.890 -12.385 -11.616 1.00 44.11 H new ATOM 0 HA LEU A 37 15.365 -10.364 -10.320 1.00 43.12 H new ATOM 0 HB2 LEU A 37 17.049 -11.757 -9.197 1.00 53.12 H new ATOM 0 HB3 LEU A 37 18.309 -11.107 -10.227 1.00 53.12 H new ATOM 0 HG LEU A 37 18.053 -8.898 -9.222 1.00 63.14 H new ATOM 0 HD11 LEU A 37 16.567 -8.557 -7.289 1.00 72.02 H new ATOM 0 HD12 LEU A 37 15.653 -8.961 -8.762 1.00 72.02 H new ATOM 0 HD13 LEU A 37 15.913 -10.198 -7.509 1.00 72.02 H new ATOM 0 HD21 LEU A 37 18.846 -9.439 -6.951 1.00 53.13 H new ATOM 0 HD22 LEU A 37 18.282 -11.115 -7.159 1.00 53.13 H new ATOM 0 HD23 LEU A 37 19.597 -10.486 -8.179 1.00 53.13 H new ATOM 561 N LYS A 38 17.530 -9.432 -12.594 1.00 11.50 N ATOM 562 CA LYS A 38 17.984 -8.301 -13.395 1.00 71.11 C ATOM 563 C LYS A 38 16.803 -7.583 -14.041 1.00 64.24 C ATOM 564 O LYS A 38 16.785 -6.356 -14.129 1.00 71.03 O ATOM 565 CB LYS A 38 18.960 -8.774 -14.475 1.00 0.02 C ATOM 566 CG LYS A 38 19.663 -7.639 -15.199 1.00 1.34 C ATOM 567 CD LYS A 38 21.008 -8.079 -15.753 1.00 13.31 C ATOM 568 CE LYS A 38 21.963 -6.904 -15.897 1.00 54.32 C ATOM 569 NZ LYS A 38 23.246 -7.307 -16.536 1.00 21.24 N ATOM 0 H LYS A 38 17.878 -10.338 -12.908 1.00 11.50 H new ATOM 0 HA LYS A 38 18.495 -7.601 -12.734 1.00 71.11 H new ATOM 0 HB2 LYS A 38 19.709 -9.421 -14.018 1.00 0.02 H new ATOM 0 HB3 LYS A 38 18.418 -9.378 -15.203 1.00 0.02 H new ATOM 0 HG2 LYS A 38 19.033 -7.280 -16.013 1.00 1.34 H new ATOM 0 HG3 LYS A 38 19.806 -6.803 -14.514 1.00 1.34 H new ATOM 0 HD2 LYS A 38 21.447 -8.827 -15.093 1.00 13.31 H new ATOM 0 HD3 LYS A 38 20.865 -8.554 -16.724 1.00 13.31 H new ATOM 0 HE2 LYS A 38 21.490 -6.123 -16.492 1.00 54.32 H new ATOM 0 HE3 LYS A 38 22.165 -6.478 -14.914 1.00 54.32 H new ATOM 0 HZ1 LYS A 38 23.869 -6.478 -16.616 1.00 21.24 H new ATOM 0 HZ2 LYS A 38 23.710 -8.034 -15.955 1.00 21.24 H new ATOM 0 HZ3 LYS A 38 23.056 -7.690 -17.484 1.00 21.24 H new ATOM 583 N GLU A 39 15.820 -8.357 -14.490 1.00 51.34 N ATOM 584 CA GLU A 39 14.636 -7.793 -15.128 1.00 13.13 C ATOM 585 C GLU A 39 13.701 -7.177 -14.091 1.00 1.53 C ATOM 586 O GLU A 39 13.162 -6.087 -14.293 1.00 64.41 O ATOM 587 CB GLU A 39 13.895 -8.871 -15.922 1.00 14.43 C ATOM 588 CG GLU A 39 14.753 -9.548 -16.977 1.00 51.50 C ATOM 589 CD GLU A 39 14.322 -10.975 -17.252 1.00 31.12 C ATOM 590 OE1 GLU A 39 13.829 -11.637 -16.315 1.00 74.32 O ATOM 591 OE2 GLU A 39 14.478 -11.430 -18.405 1.00 0.24 O ATOM 0 H GLU A 39 15.820 -9.375 -14.424 1.00 51.34 H new ATOM 0 HA GLU A 39 14.961 -7.008 -15.811 1.00 13.13 H new ATOM 0 HB2 GLU A 39 13.520 -9.626 -15.231 1.00 14.43 H new ATOM 0 HB3 GLU A 39 13.027 -8.422 -16.405 1.00 14.43 H new ATOM 0 HG2 GLU A 39 14.705 -8.973 -17.902 1.00 51.50 H new ATOM 0 HG3 GLU A 39 15.793 -9.543 -16.652 1.00 51.50 H new ATOM 598 N LEU A 40 13.513 -7.881 -12.980 1.00 51.32 N ATOM 599 CA LEU A 40 12.643 -7.404 -11.910 1.00 61.33 C ATOM 600 C LEU A 40 13.220 -6.153 -11.255 1.00 63.55 C ATOM 601 O LEU A 40 12.482 -5.305 -10.754 1.00 24.24 O ATOM 602 CB LEU A 40 12.447 -8.499 -10.860 1.00 73.23 C ATOM 603 CG LEU A 40 11.240 -9.416 -11.064 1.00 14.43 C ATOM 604 CD1 LEU A 40 9.950 -8.610 -11.052 1.00 52.12 C ATOM 605 CD2 LEU A 40 11.373 -10.193 -12.365 1.00 45.11 C ATOM 0 H LEU A 40 13.951 -8.784 -12.797 1.00 51.32 H new ATOM 0 HA LEU A 40 11.677 -7.150 -12.347 1.00 61.33 H new ATOM 0 HB2 LEU A 40 13.346 -9.115 -10.834 1.00 73.23 H new ATOM 0 HB3 LEU A 40 12.357 -8.025 -9.882 1.00 73.23 H new ATOM 0 HG LEU A 40 11.207 -10.129 -10.241 1.00 14.43 H new ATOM 0 HD11 LEU A 40 9.102 -9.279 -11.199 1.00 52.12 H new ATOM 0 HD12 LEU A 40 9.849 -8.100 -10.094 1.00 52.12 H new ATOM 0 HD13 LEU A 40 9.974 -7.873 -11.855 1.00 52.12 H new ATOM 0 HD21 LEU A 40 10.505 -10.840 -12.493 1.00 45.11 H new ATOM 0 HD22 LEU A 40 11.432 -9.496 -13.201 1.00 45.11 H new ATOM 0 HD23 LEU A 40 12.277 -10.801 -12.335 1.00 45.11 H new ATOM 617 N LYS A 41 14.544 -6.044 -11.266 1.00 24.02 N ATOM 618 CA LYS A 41 15.222 -4.895 -10.676 1.00 62.54 C ATOM 619 C LYS A 41 14.832 -3.607 -11.393 1.00 50.30 C ATOM 620 O LYS A 41 14.712 -2.550 -10.772 1.00 21.01 O ATOM 621 CB LYS A 41 16.739 -5.086 -10.737 1.00 65.15 C ATOM 622 CG LYS A 41 17.322 -5.732 -9.492 1.00 71.13 C ATOM 623 CD LYS A 41 17.658 -4.697 -8.432 1.00 50.21 C ATOM 624 CE LYS A 41 19.106 -4.242 -8.536 1.00 73.22 C ATOM 625 NZ LYS A 41 20.057 -5.344 -8.222 1.00 40.11 N ATOM 0 H LYS A 41 15.169 -6.737 -11.677 1.00 24.02 H new ATOM 0 HA LYS A 41 14.913 -4.818 -9.633 1.00 62.54 H new ATOM 0 HB2 LYS A 41 16.985 -5.700 -11.604 1.00 65.15 H new ATOM 0 HB3 LYS A 41 17.213 -4.116 -10.889 1.00 65.15 H new ATOM 0 HG2 LYS A 41 16.610 -6.451 -9.087 1.00 71.13 H new ATOM 0 HG3 LYS A 41 18.221 -6.288 -9.757 1.00 71.13 H new ATOM 0 HD2 LYS A 41 16.997 -3.837 -8.539 1.00 50.21 H new ATOM 0 HD3 LYS A 41 17.478 -5.117 -7.442 1.00 50.21 H new ATOM 0 HE2 LYS A 41 19.299 -3.872 -9.543 1.00 73.22 H new ATOM 0 HE3 LYS A 41 19.275 -3.410 -7.852 1.00 73.22 H new ATOM 0 HZ1 LYS A 41 20.945 -4.943 -7.858 1.00 40.11 H new ATOM 0 HZ2 LYS A 41 19.639 -5.969 -7.504 1.00 40.11 H new ATOM 0 HZ3 LYS A 41 20.252 -5.890 -9.085 1.00 40.11 H new ATOM 639 N THR A 42 14.633 -3.701 -12.704 1.00 41.32 N ATOM 640 CA THR A 42 14.256 -2.543 -13.505 1.00 10.10 C ATOM 641 C THR A 42 12.760 -2.268 -13.404 1.00 30.13 C ATOM 642 O THR A 42 12.340 -1.124 -13.235 1.00 52.25 O ATOM 643 CB THR A 42 14.631 -2.738 -14.986 1.00 45.21 C ATOM 644 OG1 THR A 42 13.962 -3.888 -15.514 1.00 32.20 O ATOM 645 CG2 THR A 42 16.135 -2.902 -15.146 1.00 23.31 C ATOM 0 H THR A 42 14.727 -4.568 -13.234 1.00 41.32 H new ATOM 0 HA THR A 42 14.807 -1.691 -13.107 1.00 10.10 H new ATOM 0 HB THR A 42 14.317 -1.851 -15.537 1.00 45.21 H new ATOM 0 HG1 THR A 42 13.891 -4.574 -14.817 1.00 32.20 H new ATOM 0 HG21 THR A 42 16.376 -3.038 -16.200 1.00 23.31 H new ATOM 0 HG22 THR A 42 16.640 -2.012 -14.770 1.00 23.31 H new ATOM 0 HG23 THR A 42 16.468 -3.773 -14.582 1.00 23.31 H new ATOM 653 N MET A 43 11.961 -3.325 -13.507 1.00 13.14 N ATOM 654 CA MET A 43 10.510 -3.196 -13.424 1.00 63.44 C ATOM 655 C MET A 43 10.089 -2.648 -12.065 1.00 3.32 C ATOM 656 O MET A 43 9.313 -1.697 -11.982 1.00 72.14 O ATOM 657 CB MET A 43 9.842 -4.551 -13.670 1.00 2.41 C ATOM 658 CG MET A 43 10.171 -5.154 -15.026 1.00 5.22 C ATOM 659 SD MET A 43 9.967 -6.945 -15.057 1.00 42.04 S ATOM 660 CE MET A 43 10.018 -7.261 -16.820 1.00 11.53 C ATOM 0 H MET A 43 12.293 -4.279 -13.648 1.00 13.14 H new ATOM 0 HA MET A 43 10.188 -2.494 -14.194 1.00 63.44 H new ATOM 0 HB2 MET A 43 10.150 -5.246 -12.888 1.00 2.41 H new ATOM 0 HB3 MET A 43 8.761 -4.435 -13.586 1.00 2.41 H new ATOM 0 HG2 MET A 43 9.529 -4.706 -15.784 1.00 5.22 H new ATOM 0 HG3 MET A 43 11.199 -4.905 -15.291 1.00 5.22 H new ATOM 0 HE1 MET A 43 9.158 -7.866 -17.106 1.00 11.53 H new ATOM 0 HE2 MET A 43 9.992 -6.315 -17.360 1.00 11.53 H new ATOM 0 HE3 MET A 43 10.936 -7.795 -17.068 1.00 11.53 H new ATOM 670 N ASN A 44 10.607 -3.253 -11.001 1.00 60.41 N ATOM 671 CA ASN A 44 10.284 -2.825 -9.645 1.00 35.31 C ATOM 672 C ASN A 44 10.545 -1.333 -9.469 1.00 12.52 C ATOM 673 O ASN A 44 9.713 -0.606 -8.927 1.00 34.14 O ATOM 674 CB ASN A 44 11.103 -3.621 -8.627 1.00 70.54 C ATOM 675 CG ASN A 44 11.037 -3.022 -7.236 1.00 2.01 C ATOM 676 OD1 ASN A 44 12.056 -2.881 -6.560 1.00 3.30 O ATOM 677 ND2 ASN A 44 9.834 -2.666 -6.801 1.00 73.35 N ATOM 0 H ASN A 44 11.252 -4.041 -11.052 1.00 60.41 H new ATOM 0 HA ASN A 44 9.224 -3.013 -9.475 1.00 35.31 H new ATOM 0 HB2 ASN A 44 10.739 -4.648 -8.595 1.00 70.54 H new ATOM 0 HB3 ASN A 44 12.142 -3.662 -8.953 1.00 70.54 H new ATOM 0 HD21 ASN A 44 9.728 -2.257 -5.872 1.00 73.35 H new ATOM 0 HD22 ASN A 44 9.016 -2.801 -7.395 1.00 73.35 H new ATOM 684 N ALA A 45 11.706 -0.882 -9.932 1.00 24.15 N ATOM 685 CA ALA A 45 12.077 0.524 -9.828 1.00 34.12 C ATOM 686 C ALA A 45 11.245 1.382 -10.775 1.00 61.24 C ATOM 687 O ALA A 45 11.028 2.567 -10.526 1.00 2.12 O ATOM 688 CB ALA A 45 13.560 0.702 -10.116 1.00 31.31 C ATOM 0 H ALA A 45 12.406 -1.470 -10.383 1.00 24.15 H new ATOM 0 HA ALA A 45 11.875 0.853 -8.809 1.00 34.12 H new ATOM 0 HB1 ALA A 45 13.822 1.757 -10.035 1.00 31.31 H new ATOM 0 HB2 ALA A 45 14.142 0.127 -9.396 1.00 31.31 H new ATOM 0 HB3 ALA A 45 13.780 0.350 -11.124 1.00 31.31 H new ATOM 694 N ALA A 46 10.783 0.775 -11.864 1.00 13.13 N ATOM 695 CA ALA A 46 9.974 1.484 -12.848 1.00 30.31 C ATOM 696 C ALA A 46 8.670 1.980 -12.232 1.00 60.33 C ATOM 697 O ALA A 46 8.297 3.142 -12.396 1.00 1.33 O ATOM 698 CB ALA A 46 9.688 0.585 -14.042 1.00 30.34 C ATOM 0 H ALA A 46 10.955 -0.205 -12.087 1.00 13.13 H new ATOM 0 HA ALA A 46 10.538 2.353 -13.188 1.00 30.31 H new ATOM 0 HB1 ALA A 46 9.083 1.127 -14.769 1.00 30.34 H new ATOM 0 HB2 ALA A 46 10.628 0.284 -14.504 1.00 30.34 H new ATOM 0 HB3 ALA A 46 9.148 -0.301 -13.709 1.00 30.34 H new ATOM 704 N LEU A 47 7.980 1.092 -11.525 1.00 71.00 N ATOM 705 CA LEU A 47 6.716 1.440 -10.885 1.00 31.40 C ATOM 706 C LEU A 47 6.887 2.639 -9.958 1.00 32.32 C ATOM 707 O LEU A 47 5.934 3.374 -9.697 1.00 4.34 O ATOM 708 CB LEU A 47 6.175 0.245 -10.098 1.00 34.12 C ATOM 709 CG LEU A 47 6.769 0.034 -8.705 1.00 22.20 C ATOM 710 CD1 LEU A 47 5.871 0.647 -7.642 1.00 54.24 C ATOM 711 CD2 LEU A 47 6.982 -1.449 -8.435 1.00 42.41 C ATOM 0 H LEU A 47 8.274 0.126 -11.380 1.00 71.00 H new ATOM 0 HA LEU A 47 6.003 1.707 -11.665 1.00 31.40 H new ATOM 0 HB2 LEU A 47 5.096 0.360 -9.997 1.00 34.12 H new ATOM 0 HB3 LEU A 47 6.346 -0.658 -10.684 1.00 34.12 H new ATOM 0 HG LEU A 47 7.737 0.533 -8.665 1.00 22.20 H new ATOM 0 HD11 LEU A 47 6.311 0.486 -6.658 1.00 54.24 H new ATOM 0 HD12 LEU A 47 5.770 1.717 -7.824 1.00 54.24 H new ATOM 0 HD13 LEU A 47 4.888 0.178 -7.681 1.00 54.24 H new ATOM 0 HD21 LEU A 47 7.405 -1.580 -7.439 1.00 42.41 H new ATOM 0 HD22 LEU A 47 6.027 -1.971 -8.495 1.00 42.41 H new ATOM 0 HD23 LEU A 47 7.667 -1.859 -9.177 1.00 42.41 H new ATOM 723 N ILE A 48 8.106 2.830 -9.466 1.00 10.45 N ATOM 724 CA ILE A 48 8.402 3.942 -8.571 1.00 12.15 C ATOM 725 C ILE A 48 8.469 5.260 -9.335 1.00 1.14 C ATOM 726 O ILE A 48 7.945 6.279 -8.885 1.00 14.12 O ATOM 727 CB ILE A 48 9.732 3.726 -7.824 1.00 73.34 C ATOM 728 CG1 ILE A 48 9.685 2.424 -7.022 1.00 24.11 C ATOM 729 CG2 ILE A 48 10.025 4.907 -6.912 1.00 21.04 C ATOM 730 CD1 ILE A 48 11.049 1.931 -6.591 1.00 31.02 C ATOM 0 H ILE A 48 8.904 2.230 -9.672 1.00 10.45 H new ATOM 0 HA ILE A 48 7.590 3.987 -7.845 1.00 12.15 H new ATOM 0 HB ILE A 48 10.536 3.651 -8.556 1.00 73.34 H new ATOM 0 HG12 ILE A 48 9.065 2.573 -6.138 1.00 24.11 H new ATOM 0 HG13 ILE A 48 9.202 1.654 -7.623 1.00 24.11 H new ATOM 0 HG21 ILE A 48 10.968 4.739 -6.391 1.00 21.04 H new ATOM 0 HG22 ILE A 48 10.096 5.817 -7.507 1.00 21.04 H new ATOM 0 HG23 ILE A 48 9.221 5.012 -6.183 1.00 21.04 H new ATOM 0 HD11 ILE A 48 10.940 1.005 -6.027 1.00 31.02 H new ATOM 0 HD12 ILE A 48 11.665 1.749 -7.472 1.00 31.02 H new ATOM 0 HD13 ILE A 48 11.526 2.683 -5.963 1.00 31.02 H new ATOM 742 N LYS A 49 9.117 5.233 -10.494 1.00 60.23 N ATOM 743 CA LYS A 49 9.251 6.424 -11.325 1.00 22.15 C ATOM 744 C LYS A 49 7.945 6.731 -12.050 1.00 43.13 C ATOM 745 O LYS A 49 7.447 7.856 -12.001 1.00 43.35 O ATOM 746 CB LYS A 49 10.380 6.238 -12.341 1.00 22.32 C ATOM 747 CG LYS A 49 11.767 6.422 -11.750 1.00 2.24 C ATOM 748 CD LYS A 49 12.317 5.117 -11.199 1.00 15.15 C ATOM 749 CE LYS A 49 13.837 5.090 -11.242 1.00 33.31 C ATOM 750 NZ LYS A 49 14.405 4.186 -10.204 1.00 20.02 N ATOM 0 H LYS A 49 9.558 4.398 -10.880 1.00 60.23 H new ATOM 0 HA LYS A 49 9.491 7.265 -10.675 1.00 22.15 H new ATOM 0 HB2 LYS A 49 10.308 5.240 -12.773 1.00 22.32 H new ATOM 0 HB3 LYS A 49 10.244 6.949 -13.156 1.00 22.32 H new ATOM 0 HG2 LYS A 49 12.441 6.808 -12.515 1.00 2.24 H new ATOM 0 HG3 LYS A 49 11.729 7.166 -10.955 1.00 2.24 H new ATOM 0 HD2 LYS A 49 11.979 4.983 -10.171 1.00 15.15 H new ATOM 0 HD3 LYS A 49 11.921 4.282 -11.776 1.00 15.15 H new ATOM 0 HE2 LYS A 49 14.167 4.763 -12.228 1.00 33.31 H new ATOM 0 HE3 LYS A 49 14.222 6.099 -11.095 1.00 33.31 H new ATOM 0 HZ1 LYS A 49 15.107 4.704 -9.639 1.00 20.02 H new ATOM 0 HZ2 LYS A 49 13.642 3.848 -9.583 1.00 20.02 H new ATOM 0 HZ3 LYS A 49 14.863 3.373 -10.664 1.00 20.02 H new ATOM 764 N ILE A 50 7.396 5.725 -12.721 1.00 75.51 N ATOM 765 CA ILE A 50 6.146 5.888 -13.454 1.00 63.32 C ATOM 766 C ILE A 50 4.967 6.053 -12.501 1.00 43.23 C ATOM 767 O ILE A 50 3.937 6.619 -12.864 1.00 72.23 O ATOM 768 CB ILE A 50 5.877 4.688 -14.382 1.00 43.31 C ATOM 769 CG1 ILE A 50 5.603 3.429 -13.557 1.00 52.05 C ATOM 770 CG2 ILE A 50 7.056 4.468 -15.318 1.00 41.35 C ATOM 771 CD1 ILE A 50 4.144 3.031 -13.530 1.00 13.02 C ATOM 0 H ILE A 50 7.796 4.788 -12.773 1.00 75.51 H new ATOM 0 HA ILE A 50 6.250 6.789 -14.059 1.00 63.32 H new ATOM 0 HB ILE A 50 4.995 4.904 -14.985 1.00 43.31 H new ATOM 0 HG12 ILE A 50 6.189 2.604 -13.962 1.00 52.05 H new ATOM 0 HG13 ILE A 50 5.946 3.592 -12.535 1.00 52.05 H new ATOM 0 HG21 ILE A 50 6.851 3.617 -15.967 1.00 41.35 H new ATOM 0 HG22 ILE A 50 7.209 5.360 -15.926 1.00 41.35 H new ATOM 0 HG23 ILE A 50 7.954 4.270 -14.732 1.00 41.35 H new ATOM 0 HD11 ILE A 50 4.024 2.131 -12.927 1.00 13.02 H new ATOM 0 HD12 ILE A 50 3.554 3.839 -13.097 1.00 13.02 H new ATOM 0 HD13 ILE A 50 3.801 2.836 -14.546 1.00 13.02 H new ATOM 783 N GLY A 51 5.127 5.557 -11.278 1.00 65.32 N ATOM 784 CA GLY A 51 4.069 5.661 -10.291 1.00 1.13 C ATOM 785 C GLY A 51 4.087 6.989 -9.560 1.00 54.23 C ATOM 786 O GLY A 51 3.093 7.382 -8.950 1.00 73.24 O ATOM 0 H GLY A 51 5.971 5.085 -10.953 1.00 65.32 H new ATOM 0 HA2 GLY A 51 3.104 5.533 -10.782 1.00 1.13 H new ATOM 0 HA3 GLY A 51 4.169 4.851 -9.569 1.00 1.13 H new ATOM 790 N GLU A 52 5.220 7.681 -9.621 1.00 11.40 N ATOM 791 CA GLU A 52 5.362 8.972 -8.957 1.00 44.03 C ATOM 792 C GLU A 52 4.466 10.021 -9.609 1.00 60.12 C ATOM 793 O GLU A 52 3.953 10.918 -8.940 1.00 34.41 O ATOM 794 CB GLU A 52 6.820 9.434 -8.999 1.00 65.05 C ATOM 795 CG GLU A 52 7.069 10.733 -8.251 1.00 24.41 C ATOM 796 CD GLU A 52 8.311 11.456 -8.735 1.00 23.15 C ATOM 797 OE1 GLU A 52 9.097 10.847 -9.491 1.00 33.05 O ATOM 798 OE2 GLU A 52 8.497 12.632 -8.357 1.00 22.33 O ATOM 0 H GLU A 52 6.052 7.370 -10.123 1.00 11.40 H new ATOM 0 HA GLU A 52 5.056 8.853 -7.918 1.00 44.03 H new ATOM 0 HB2 GLU A 52 7.452 8.654 -8.575 1.00 65.05 H new ATOM 0 HB3 GLU A 52 7.123 9.559 -10.039 1.00 65.05 H new ATOM 0 HG2 GLU A 52 6.204 11.386 -8.367 1.00 24.41 H new ATOM 0 HG3 GLU A 52 7.168 10.522 -7.186 1.00 24.41 H new ATOM 805 N VAL A 53 4.283 9.902 -10.920 1.00 70.05 N ATOM 806 CA VAL A 53 3.449 10.839 -11.664 1.00 32.50 C ATOM 807 C VAL A 53 1.988 10.727 -11.243 1.00 12.22 C ATOM 808 O VAL A 53 1.523 9.678 -10.797 1.00 53.01 O ATOM 809 CB VAL A 53 3.554 10.600 -13.182 1.00 54.51 C ATOM 810 CG1 VAL A 53 5.003 10.685 -13.637 1.00 74.02 C ATOM 811 CG2 VAL A 53 2.947 9.256 -13.553 1.00 62.42 C ATOM 0 H VAL A 53 4.701 9.166 -11.489 1.00 70.05 H new ATOM 0 HA VAL A 53 3.815 11.840 -11.435 1.00 32.50 H new ATOM 0 HB VAL A 53 2.991 11.380 -13.695 1.00 54.51 H new ATOM 0 HG11 VAL A 53 5.057 10.514 -14.712 1.00 74.02 H new ATOM 0 HG12 VAL A 53 5.399 11.674 -13.407 1.00 74.02 H new ATOM 0 HG13 VAL A 53 5.592 9.928 -13.119 1.00 74.02 H new ATOM 0 HG21 VAL A 53 3.030 9.104 -14.629 1.00 62.42 H new ATOM 0 HG22 VAL A 53 3.479 8.460 -13.032 1.00 62.42 H new ATOM 0 HG23 VAL A 53 1.896 9.239 -13.264 1.00 62.42 H new ATOM 821 N PRO A 54 1.245 11.834 -11.387 1.00 15.31 N ATOM 822 CA PRO A 54 -0.176 11.886 -11.028 1.00 42.51 C ATOM 823 C PRO A 54 -1.043 11.063 -11.974 1.00 33.23 C ATOM 824 O PRO A 54 -0.602 10.623 -13.036 1.00 4.05 O ATOM 825 CB PRO A 54 -0.518 13.374 -11.148 1.00 24.32 C ATOM 826 CG PRO A 54 0.473 13.913 -12.122 1.00 34.34 C ATOM 827 CD PRO A 54 1.733 13.120 -11.912 1.00 3.42 C ATOM 0 HA PRO A 54 -0.362 11.470 -10.038 1.00 42.51 H new ATOM 0 HB2 PRO A 54 -1.539 13.518 -11.501 1.00 24.32 H new ATOM 0 HB3 PRO A 54 -0.440 13.877 -10.184 1.00 24.32 H new ATOM 0 HG2 PRO A 54 0.112 13.808 -13.145 1.00 34.34 H new ATOM 0 HG3 PRO A 54 0.648 14.976 -11.953 1.00 34.34 H new ATOM 0 HD2 PRO A 54 2.286 12.990 -12.843 1.00 3.42 H new ATOM 0 HD3 PRO A 54 2.405 13.612 -11.209 1.00 3.42 H new ATOM 835 N PRO A 55 -2.308 10.848 -11.582 1.00 60.00 N ATOM 836 CA PRO A 55 -3.264 10.076 -12.382 1.00 12.53 C ATOM 837 C PRO A 55 -3.679 10.808 -13.654 1.00 21.31 C ATOM 838 O PRO A 55 -4.349 10.240 -14.517 1.00 11.32 O ATOM 839 CB PRO A 55 -4.462 9.915 -11.443 1.00 75.21 C ATOM 840 CG PRO A 55 -4.370 11.071 -10.508 1.00 52.13 C ATOM 841 CD PRO A 55 -2.902 11.342 -10.329 1.00 11.24 C ATOM 0 HA PRO A 55 -2.842 9.131 -12.723 1.00 12.53 H new ATOM 0 HB2 PRO A 55 -5.402 9.926 -11.995 1.00 75.21 H new ATOM 0 HB3 PRO A 55 -4.419 8.967 -10.906 1.00 75.21 H new ATOM 0 HG2 PRO A 55 -4.881 11.944 -10.915 1.00 52.13 H new ATOM 0 HG3 PRO A 55 -4.844 10.840 -9.554 1.00 52.13 H new ATOM 0 HD2 PRO A 55 -2.705 12.404 -10.182 1.00 11.24 H new ATOM 0 HD3 PRO A 55 -2.500 10.820 -9.461 1.00 11.24 H new ATOM 849 N ASP A 56 -3.276 12.069 -13.764 1.00 30.31 N ATOM 850 CA ASP A 56 -3.605 12.877 -14.932 1.00 43.31 C ATOM 851 C ASP A 56 -2.870 12.369 -16.169 1.00 13.01 C ATOM 852 O ASP A 56 -3.329 12.557 -17.295 1.00 75.41 O ATOM 853 CB ASP A 56 -3.250 14.344 -14.680 1.00 75.31 C ATOM 854 CG ASP A 56 -4.260 15.296 -15.289 1.00 53.24 C ATOM 855 OD1 ASP A 56 -5.336 15.487 -14.684 1.00 63.23 O ATOM 856 OD2 ASP A 56 -3.976 15.851 -16.372 1.00 25.51 O ATOM 0 H ASP A 56 -2.721 12.554 -13.059 1.00 30.31 H new ATOM 0 HA ASP A 56 -4.677 12.795 -15.109 1.00 43.31 H new ATOM 0 HB2 ASP A 56 -3.190 14.521 -13.606 1.00 75.31 H new ATOM 0 HB3 ASP A 56 -2.263 14.552 -15.093 1.00 75.31 H new ATOM 861 N GLN A 57 -1.728 11.726 -15.950 1.00 3.41 N ATOM 862 CA GLN A 57 -0.929 11.193 -17.047 1.00 53.13 C ATOM 863 C GLN A 57 -1.265 9.727 -17.303 1.00 10.45 C ATOM 864 O GLN A 57 -1.094 9.225 -18.414 1.00 25.31 O ATOM 865 CB GLN A 57 0.562 11.341 -16.740 1.00 12.00 C ATOM 866 CG GLN A 57 0.949 12.730 -16.258 1.00 33.35 C ATOM 867 CD GLN A 57 0.834 13.779 -17.346 1.00 33.31 C ATOM 868 OE1 GLN A 57 0.409 13.486 -18.464 1.00 31.10 O ATOM 869 NE2 GLN A 57 1.212 15.010 -17.024 1.00 44.11 N ATOM 0 H GLN A 57 -1.335 11.561 -15.023 1.00 3.41 H new ATOM 0 HA GLN A 57 -1.165 11.763 -17.945 1.00 53.13 H new ATOM 0 HB2 GLN A 57 0.842 10.611 -15.981 1.00 12.00 H new ATOM 0 HB3 GLN A 57 1.134 11.104 -17.637 1.00 12.00 H new ATOM 0 HG2 GLN A 57 0.311 13.010 -15.420 1.00 33.35 H new ATOM 0 HG3 GLN A 57 1.973 12.709 -15.886 1.00 33.35 H new ATOM 0 HE21 GLN A 57 1.558 15.208 -16.085 1.00 44.11 H new ATOM 0 HE22 GLN A 57 1.156 15.758 -17.715 1.00 44.11 H new ATOM 878 N LEU A 58 -1.744 9.046 -16.267 1.00 44.42 N ATOM 879 CA LEU A 58 -2.103 7.637 -16.379 1.00 14.11 C ATOM 880 C LEU A 58 -3.161 7.429 -17.459 1.00 24.14 C ATOM 881 O LEU A 58 -4.127 8.186 -17.549 1.00 51.02 O ATOM 882 CB LEU A 58 -2.619 7.114 -15.037 1.00 2.10 C ATOM 883 CG LEU A 58 -1.566 6.525 -14.097 1.00 72.34 C ATOM 884 CD1 LEU A 58 -1.051 5.200 -14.637 1.00 61.42 C ATOM 885 CD2 LEU A 58 -0.419 7.505 -13.900 1.00 21.31 C ATOM 0 H LEU A 58 -1.892 9.447 -15.341 1.00 44.42 H new ATOM 0 HA LEU A 58 -1.209 7.081 -16.660 1.00 14.11 H new ATOM 0 HB2 LEU A 58 -3.122 7.931 -14.520 1.00 2.10 H new ATOM 0 HB3 LEU A 58 -3.371 6.350 -15.232 1.00 2.10 H new ATOM 0 HG LEU A 58 -2.032 6.343 -13.128 1.00 72.34 H new ATOM 0 HD11 LEU A 58 -0.303 4.796 -13.955 1.00 61.42 H new ATOM 0 HD12 LEU A 58 -1.879 4.497 -14.726 1.00 61.42 H new ATOM 0 HD13 LEU A 58 -0.602 5.357 -15.618 1.00 61.42 H new ATOM 0 HD21 LEU A 58 0.321 7.069 -13.228 1.00 21.31 H new ATOM 0 HD22 LEU A 58 0.046 7.719 -14.862 1.00 21.31 H new ATOM 0 HD23 LEU A 58 -0.801 8.430 -13.468 1.00 21.31 H new ATOM 897 N ASP A 59 -2.971 6.397 -18.274 1.00 10.15 N ATOM 898 CA ASP A 59 -3.910 6.087 -19.345 1.00 60.23 C ATOM 899 C ASP A 59 -4.516 4.700 -19.152 1.00 42.15 C ATOM 900 O ASP A 59 -4.194 3.999 -18.193 1.00 13.31 O ATOM 901 CB ASP A 59 -3.211 6.167 -20.704 1.00 13.25 C ATOM 902 CG ASP A 59 -1.866 5.468 -20.705 1.00 1.32 C ATOM 903 OD1 ASP A 59 -0.902 6.036 -20.150 1.00 14.04 O ATOM 904 OD2 ASP A 59 -1.776 4.354 -21.262 1.00 34.01 O ATOM 0 H ASP A 59 -2.176 5.761 -18.213 1.00 10.15 H new ATOM 0 HA ASP A 59 -4.714 6.823 -19.314 1.00 60.23 H new ATOM 0 HB2 ASP A 59 -3.850 5.720 -21.465 1.00 13.25 H new ATOM 0 HB3 ASP A 59 -3.074 7.213 -20.978 1.00 13.25 H new ATOM 909 N SER A 60 -5.395 4.311 -20.070 1.00 50.13 N ATOM 910 CA SER A 60 -6.050 3.010 -19.999 1.00 1.23 C ATOM 911 C SER A 60 -5.044 1.883 -20.212 1.00 1.15 C ATOM 912 O SER A 60 -5.191 0.794 -19.658 1.00 4.04 O ATOM 913 CB SER A 60 -7.164 2.918 -21.043 1.00 13.42 C ATOM 914 OG SER A 60 -8.272 3.724 -20.679 1.00 44.51 O ATOM 0 H SER A 60 -5.670 4.878 -20.872 1.00 50.13 H new ATOM 0 HA SER A 60 -6.484 2.904 -19.005 1.00 1.23 H new ATOM 0 HB2 SER A 60 -6.784 3.234 -22.014 1.00 13.42 H new ATOM 0 HB3 SER A 60 -7.483 1.881 -21.148 1.00 13.42 H new ATOM 0 HG SER A 60 -8.970 3.649 -21.363 1.00 44.51 H new ATOM 920 N GLN A 61 -4.023 2.154 -21.018 1.00 41.31 N ATOM 921 CA GLN A 61 -2.993 1.163 -21.305 1.00 43.22 C ATOM 922 C GLN A 61 -2.031 1.021 -20.130 1.00 34.03 C ATOM 923 O GLN A 61 -1.570 -0.078 -19.822 1.00 30.11 O ATOM 924 CB GLN A 61 -2.220 1.551 -22.567 1.00 70.32 C ATOM 925 CG GLN A 61 -1.655 0.360 -23.325 1.00 33.35 C ATOM 926 CD GLN A 61 -0.889 0.768 -24.567 1.00 52.32 C ATOM 927 OE1 GLN A 61 -0.115 1.726 -24.547 1.00 33.13 O ATOM 928 NE2 GLN A 61 -1.101 0.042 -25.659 1.00 2.42 N ATOM 0 H GLN A 61 -3.887 3.051 -21.484 1.00 41.31 H new ATOM 0 HA GLN A 61 -3.484 0.203 -21.468 1.00 43.22 H new ATOM 0 HB2 GLN A 61 -2.880 2.113 -23.229 1.00 70.32 H new ATOM 0 HB3 GLN A 61 -1.402 2.217 -22.292 1.00 70.32 H new ATOM 0 HG2 GLN A 61 -0.996 -0.206 -22.666 1.00 33.35 H new ATOM 0 HG3 GLN A 61 -2.471 -0.305 -23.608 1.00 33.35 H new ATOM 0 HE21 GLN A 61 -1.751 -0.744 -25.631 1.00 2.42 H new ATOM 0 HE22 GLN A 61 -0.614 0.270 -26.526 1.00 2.42 H new ATOM 937 N ASP A 62 -1.734 2.139 -19.477 1.00 44.00 N ATOM 938 CA ASP A 62 -0.827 2.139 -18.334 1.00 54.14 C ATOM 939 C ASP A 62 -1.326 1.194 -17.245 1.00 40.34 C ATOM 940 O ASP A 62 -0.537 0.516 -16.587 1.00 43.23 O ATOM 941 CB ASP A 62 -0.682 3.554 -17.772 1.00 63.10 C ATOM 942 CG ASP A 62 0.584 3.725 -16.956 1.00 24.11 C ATOM 943 OD1 ASP A 62 0.868 2.850 -16.111 1.00 52.40 O ATOM 944 OD2 ASP A 62 1.291 4.734 -17.161 1.00 64.14 O ATOM 0 H ASP A 62 -2.108 3.057 -19.719 1.00 44.00 H new ATOM 0 HA ASP A 62 0.148 1.790 -18.674 1.00 54.14 H new ATOM 0 HB2 ASP A 62 -0.681 4.270 -18.594 1.00 63.10 H new ATOM 0 HB3 ASP A 62 -1.546 3.785 -17.149 1.00 63.10 H new ATOM 949 N LYS A 63 -2.641 1.155 -17.060 1.00 11.33 N ATOM 950 CA LYS A 63 -3.247 0.294 -16.051 1.00 4.11 C ATOM 951 C LYS A 63 -2.988 -1.176 -16.365 1.00 34.14 C ATOM 952 O LYS A 63 -2.787 -1.988 -15.461 1.00 35.44 O ATOM 953 CB LYS A 63 -4.753 0.552 -15.968 1.00 42.00 C ATOM 954 CG LYS A 63 -5.106 1.993 -15.645 1.00 12.42 C ATOM 955 CD LYS A 63 -4.608 2.394 -14.266 1.00 40.03 C ATOM 956 CE LYS A 63 -5.373 1.675 -13.166 1.00 73.32 C ATOM 957 NZ LYS A 63 -5.181 2.325 -11.840 1.00 53.14 N ATOM 0 H LYS A 63 -3.308 1.710 -17.596 1.00 11.33 H new ATOM 0 HA LYS A 63 -2.792 0.528 -15.088 1.00 4.11 H new ATOM 0 HB2 LYS A 63 -5.213 0.278 -16.918 1.00 42.00 H new ATOM 0 HB3 LYS A 63 -5.183 -0.098 -15.206 1.00 42.00 H new ATOM 0 HG2 LYS A 63 -4.671 2.652 -16.396 1.00 12.42 H new ATOM 0 HG3 LYS A 63 -6.187 2.124 -15.695 1.00 12.42 H new ATOM 0 HD2 LYS A 63 -3.546 2.165 -14.181 1.00 40.03 H new ATOM 0 HD3 LYS A 63 -4.713 3.471 -14.139 1.00 40.03 H new ATOM 0 HE2 LYS A 63 -6.435 1.660 -13.412 1.00 73.32 H new ATOM 0 HE3 LYS A 63 -5.043 0.637 -13.113 1.00 73.32 H new ATOM 0 HZ1 LYS A 63 -5.719 1.805 -11.117 1.00 53.14 H new ATOM 0 HZ2 LYS A 63 -4.171 2.317 -11.593 1.00 53.14 H new ATOM 0 HZ3 LYS A 63 -5.519 3.308 -11.883 1.00 53.14 H new ATOM 971 N LEU A 64 -2.994 -1.512 -17.650 1.00 4.31 N ATOM 972 CA LEU A 64 -2.758 -2.885 -18.083 1.00 52.31 C ATOM 973 C LEU A 64 -1.301 -3.281 -17.869 1.00 42.11 C ATOM 974 O LEU A 64 -0.995 -4.447 -17.620 1.00 3.12 O ATOM 975 CB LEU A 64 -3.131 -3.046 -19.558 1.00 33.12 C ATOM 976 CG LEU A 64 -4.581 -3.437 -19.844 1.00 74.43 C ATOM 977 CD1 LEU A 64 -5.456 -2.198 -19.959 1.00 21.51 C ATOM 978 CD2 LEU A 64 -4.668 -4.273 -21.113 1.00 43.44 C ATOM 0 H LEU A 64 -3.160 -0.853 -18.410 1.00 4.31 H new ATOM 0 HA LEU A 64 -3.386 -3.543 -17.482 1.00 52.31 H new ATOM 0 HB2 LEU A 64 -2.921 -2.107 -20.070 1.00 33.12 H new ATOM 0 HB3 LEU A 64 -2.479 -3.801 -19.997 1.00 33.12 H new ATOM 0 HG LEU A 64 -4.946 -4.038 -19.011 1.00 74.43 H new ATOM 0 HD11 LEU A 64 -6.484 -2.496 -20.163 1.00 21.51 H new ATOM 0 HD12 LEU A 64 -5.419 -1.638 -19.024 1.00 21.51 H new ATOM 0 HD13 LEU A 64 -5.093 -1.570 -20.772 1.00 21.51 H new ATOM 0 HD21 LEU A 64 -5.707 -4.542 -21.301 1.00 43.44 H new ATOM 0 HD22 LEU A 64 -4.284 -3.697 -21.955 1.00 43.44 H new ATOM 0 HD23 LEU A 64 -4.075 -5.179 -20.993 1.00 43.44 H new ATOM 990 N TRP A 65 -0.407 -2.303 -17.966 1.00 73.33 N ATOM 991 CA TRP A 65 1.018 -2.550 -17.781 1.00 43.11 C ATOM 992 C TRP A 65 1.303 -3.064 -16.375 1.00 25.55 C ATOM 993 O TRP A 65 2.056 -4.022 -16.195 1.00 12.44 O ATOM 994 CB TRP A 65 1.816 -1.271 -18.041 1.00 70.02 C ATOM 995 CG TRP A 65 3.286 -1.428 -17.797 1.00 23.04 C ATOM 996 CD1 TRP A 65 4.015 -2.579 -17.892 1.00 73.32 C ATOM 997 CD2 TRP A 65 4.206 -0.400 -17.414 1.00 40.40 C ATOM 998 NE1 TRP A 65 5.332 -2.328 -17.592 1.00 70.40 N ATOM 999 CE2 TRP A 65 5.475 -0.999 -17.296 1.00 45.32 C ATOM 1000 CE3 TRP A 65 4.081 0.969 -17.162 1.00 3.24 C ATOM 1001 CZ2 TRP A 65 6.609 -0.275 -16.936 1.00 21.21 C ATOM 1002 CZ3 TRP A 65 5.207 1.686 -16.804 1.00 24.21 C ATOM 1003 CH2 TRP A 65 6.458 1.063 -16.694 1.00 50.35 C ATOM 0 H TRP A 65 -0.644 -1.332 -18.172 1.00 73.33 H new ATOM 0 HA TRP A 65 1.325 -3.313 -18.496 1.00 43.11 H new ATOM 0 HB2 TRP A 65 1.658 -0.956 -19.072 1.00 70.02 H new ATOM 0 HB3 TRP A 65 1.432 -0.476 -17.402 1.00 70.02 H new ATOM 0 HD1 TRP A 65 3.615 -3.545 -18.163 1.00 73.32 H new ATOM 0 HE1 TRP A 65 6.082 -3.020 -17.590 1.00 70.40 H new ATOM 0 HE3 TRP A 65 3.122 1.458 -17.246 1.00 3.24 H new ATOM 0 HZ2 TRP A 65 7.574 -0.753 -16.851 1.00 21.21 H new ATOM 0 HZ3 TRP A 65 5.122 2.744 -16.606 1.00 24.21 H new ATOM 0 HH2 TRP A 65 7.319 1.651 -16.413 1.00 50.35 H new ATOM 1014 N ALA A 66 0.698 -2.423 -15.380 1.00 72.43 N ATOM 1015 CA ALA A 66 0.886 -2.819 -13.990 1.00 15.41 C ATOM 1016 C ALA A 66 0.565 -4.296 -13.791 1.00 72.11 C ATOM 1017 O ALA A 66 1.180 -4.969 -12.964 1.00 2.23 O ATOM 1018 CB ALA A 66 0.022 -1.961 -13.076 1.00 70.44 C ATOM 0 H ALA A 66 0.074 -1.627 -15.511 1.00 72.43 H new ATOM 0 HA ALA A 66 1.934 -2.665 -13.733 1.00 15.41 H new ATOM 0 HB1 ALA A 66 0.172 -2.267 -12.041 1.00 70.44 H new ATOM 0 HB2 ALA A 66 0.302 -0.914 -13.189 1.00 70.44 H new ATOM 0 HB3 ALA A 66 -1.027 -2.087 -13.343 1.00 70.44 H new ATOM 1024 N ASP A 67 -0.402 -4.795 -14.554 1.00 0.54 N ATOM 1025 CA ASP A 67 -0.804 -6.193 -14.461 1.00 73.22 C ATOM 1026 C ASP A 67 0.227 -7.100 -15.125 1.00 23.35 C ATOM 1027 O ASP A 67 0.551 -8.169 -14.608 1.00 33.23 O ATOM 1028 CB ASP A 67 -2.174 -6.396 -15.112 1.00 24.22 C ATOM 1029 CG ASP A 67 -2.585 -7.855 -15.152 1.00 1.20 C ATOM 1030 OD1 ASP A 67 -2.580 -8.503 -14.084 1.00 53.40 O ATOM 1031 OD2 ASP A 67 -2.912 -8.348 -16.251 1.00 73.42 O ATOM 0 H ASP A 67 -0.922 -4.252 -15.243 1.00 0.54 H new ATOM 0 HA ASP A 67 -0.868 -6.458 -13.406 1.00 73.22 H new ATOM 0 HB2 ASP A 67 -2.923 -5.826 -14.562 1.00 24.22 H new ATOM 0 HB3 ASP A 67 -2.153 -5.999 -16.127 1.00 24.22 H new ATOM 1036 N GLU A 68 0.739 -6.666 -16.272 1.00 71.22 N ATOM 1037 CA GLU A 68 1.732 -7.441 -17.006 1.00 43.05 C ATOM 1038 C GLU A 68 2.950 -7.732 -16.133 1.00 54.33 C ATOM 1039 O GLU A 68 3.571 -8.788 -16.247 1.00 20.42 O ATOM 1040 CB GLU A 68 2.164 -6.692 -18.269 1.00 71.32 C ATOM 1041 CG GLU A 68 1.281 -6.971 -19.474 1.00 14.23 C ATOM 1042 CD GLU A 68 2.048 -6.932 -20.781 1.00 72.41 C ATOM 1043 OE1 GLU A 68 3.211 -7.385 -20.800 1.00 63.25 O ATOM 1044 OE2 GLU A 68 1.484 -6.449 -21.785 1.00 73.33 O ATOM 0 H GLU A 68 0.483 -5.783 -16.713 1.00 71.22 H new ATOM 0 HA GLU A 68 1.276 -8.389 -17.292 1.00 43.05 H new ATOM 0 HB2 GLU A 68 2.159 -5.621 -18.066 1.00 71.32 H new ATOM 0 HB3 GLU A 68 3.191 -6.966 -18.510 1.00 71.32 H new ATOM 0 HG2 GLU A 68 0.815 -7.950 -19.360 1.00 14.23 H new ATOM 0 HG3 GLU A 68 0.476 -6.237 -19.508 1.00 14.23 H new ATOM 1051 N VAL A 69 3.285 -6.786 -15.262 1.00 11.33 N ATOM 1052 CA VAL A 69 4.427 -6.939 -14.368 1.00 71.24 C ATOM 1053 C VAL A 69 4.111 -7.908 -13.234 1.00 40.51 C ATOM 1054 O VAL A 69 4.954 -8.713 -12.839 1.00 71.44 O ATOM 1055 CB VAL A 69 4.857 -5.587 -13.769 1.00 52.25 C ATOM 1056 CG1 VAL A 69 6.053 -5.767 -12.848 1.00 22.04 C ATOM 1057 CG2 VAL A 69 5.171 -4.591 -14.875 1.00 53.53 C ATOM 0 H VAL A 69 2.782 -5.905 -15.156 1.00 11.33 H new ATOM 0 HA VAL A 69 5.246 -7.339 -14.966 1.00 71.24 H new ATOM 0 HB VAL A 69 4.031 -5.192 -13.178 1.00 52.25 H new ATOM 0 HG11 VAL A 69 6.342 -4.801 -12.434 1.00 22.04 H new ATOM 0 HG12 VAL A 69 5.788 -6.445 -12.036 1.00 22.04 H new ATOM 0 HG13 VAL A 69 6.887 -6.185 -13.412 1.00 22.04 H new ATOM 0 HG21 VAL A 69 5.473 -3.641 -14.434 1.00 53.53 H new ATOM 0 HG22 VAL A 69 5.981 -4.978 -15.494 1.00 53.53 H new ATOM 0 HG23 VAL A 69 4.284 -4.440 -15.491 1.00 53.53 H new ATOM 1067 N ARG A 70 2.891 -7.823 -12.714 1.00 31.21 N ATOM 1068 CA ARG A 70 2.463 -8.692 -11.624 1.00 4.22 C ATOM 1069 C ARG A 70 2.446 -10.152 -12.067 1.00 3.12 C ATOM 1070 O ARG A 70 3.035 -11.014 -11.416 1.00 31.32 O ATOM 1071 CB ARG A 70 1.075 -8.281 -11.131 1.00 33.12 C ATOM 1072 CG ARG A 70 1.093 -7.099 -10.176 1.00 55.51 C ATOM 1073 CD ARG A 70 1.202 -7.553 -8.729 1.00 12.51 C ATOM 1074 NE ARG A 70 -0.109 -7.779 -8.126 1.00 2.13 N ATOM 1075 CZ ARG A 70 -0.302 -8.531 -7.048 1.00 61.43 C ATOM 1076 NH1 ARG A 70 0.726 -9.127 -6.458 1.00 54.54 N ATOM 1077 NH2 ARG A 70 -1.525 -8.689 -6.558 1.00 61.54 N ATOM 0 H ARG A 70 2.182 -7.162 -13.030 1.00 31.21 H new ATOM 0 HA ARG A 70 3.177 -8.587 -10.807 1.00 4.22 H new ATOM 0 HB2 ARG A 70 0.452 -8.033 -11.991 1.00 33.12 H new ATOM 0 HB3 ARG A 70 0.609 -9.132 -10.634 1.00 33.12 H new ATOM 0 HG2 ARG A 70 1.932 -6.447 -10.418 1.00 55.51 H new ATOM 0 HG3 ARG A 70 0.185 -6.511 -10.306 1.00 55.51 H new ATOM 0 HD2 ARG A 70 1.787 -8.472 -8.680 1.00 12.51 H new ATOM 0 HD3 ARG A 70 1.741 -6.801 -8.153 1.00 12.51 H new ATOM 0 HE ARG A 70 -0.921 -7.335 -8.556 1.00 2.13 H new ATOM 0 HH11 ARG A 70 1.668 -9.008 -6.832 1.00 54.54 H new ATOM 0 HH12 ARG A 70 0.575 -9.704 -5.630 1.00 54.54 H new ATOM 0 HH21 ARG A 70 -2.318 -8.233 -7.009 1.00 61.54 H new ATOM 0 HH22 ARG A 70 -1.672 -9.267 -5.730 1.00 61.54 H new ATOM 1091 N GLU A 71 1.767 -10.420 -13.178 1.00 22.12 N ATOM 1092 CA GLU A 71 1.673 -11.776 -13.706 1.00 51.11 C ATOM 1093 C GLU A 71 3.059 -12.394 -13.870 1.00 14.33 C ATOM 1094 O GLU A 71 3.235 -13.602 -13.709 1.00 61.22 O ATOM 1095 CB GLU A 71 0.942 -11.774 -15.050 1.00 55.41 C ATOM 1096 CG GLU A 71 1.633 -10.942 -16.118 1.00 34.13 C ATOM 1097 CD GLU A 71 0.975 -11.075 -17.477 1.00 73.14 C ATOM 1098 OE1 GLU A 71 -0.215 -10.715 -17.598 1.00 33.43 O ATOM 1099 OE2 GLU A 71 1.649 -11.539 -18.421 1.00 11.15 O ATOM 0 H GLU A 71 1.275 -9.717 -13.729 1.00 22.12 H new ATOM 0 HA GLU A 71 1.108 -12.377 -12.994 1.00 51.11 H new ATOM 0 HB2 GLU A 71 0.849 -12.800 -15.405 1.00 55.41 H new ATOM 0 HB3 GLU A 71 -0.069 -11.394 -14.903 1.00 55.41 H new ATOM 0 HG2 GLU A 71 1.628 -9.894 -15.817 1.00 34.13 H new ATOM 0 HG3 GLU A 71 2.677 -11.247 -16.192 1.00 34.13 H new ATOM 1106 N LEU A 72 4.039 -11.556 -14.191 1.00 32.54 N ATOM 1107 CA LEU A 72 5.410 -12.019 -14.377 1.00 13.00 C ATOM 1108 C LEU A 72 5.923 -12.720 -13.123 1.00 42.32 C ATOM 1109 O LEU A 72 6.665 -13.698 -13.207 1.00 25.13 O ATOM 1110 CB LEU A 72 6.323 -10.843 -14.728 1.00 15.44 C ATOM 1111 CG LEU A 72 7.485 -11.153 -15.671 1.00 61.10 C ATOM 1112 CD1 LEU A 72 8.338 -12.282 -15.113 1.00 42.14 C ATOM 1113 CD2 LEU A 72 6.967 -11.508 -17.057 1.00 70.40 C ATOM 0 H LEU A 72 3.910 -10.553 -14.328 1.00 32.54 H new ATOM 0 HA LEU A 72 5.417 -12.735 -15.199 1.00 13.00 H new ATOM 0 HB2 LEU A 72 5.715 -10.059 -15.179 1.00 15.44 H new ATOM 0 HB3 LEU A 72 6.731 -10.437 -13.802 1.00 15.44 H new ATOM 0 HG LEU A 72 8.107 -10.262 -15.755 1.00 61.10 H new ATOM 0 HD11 LEU A 72 9.161 -12.489 -15.798 1.00 42.14 H new ATOM 0 HD12 LEU A 72 8.739 -11.990 -14.142 1.00 42.14 H new ATOM 0 HD13 LEU A 72 7.727 -13.177 -14.999 1.00 42.14 H new ATOM 0 HD21 LEU A 72 7.808 -11.726 -17.715 1.00 70.40 H new ATOM 0 HD22 LEU A 72 6.322 -12.384 -16.991 1.00 70.40 H new ATOM 0 HD23 LEU A 72 6.399 -10.669 -17.459 1.00 70.40 H new ATOM 1125 N SER A 73 5.521 -12.213 -11.962 1.00 21.42 N ATOM 1126 CA SER A 73 5.942 -12.790 -10.690 1.00 52.31 C ATOM 1127 C SER A 73 5.626 -14.281 -10.639 1.00 30.43 C ATOM 1128 O SER A 73 6.353 -15.060 -10.021 1.00 73.43 O ATOM 1129 CB SER A 73 5.254 -12.071 -9.528 1.00 11.11 C ATOM 1130 OG SER A 73 4.023 -12.692 -9.201 1.00 20.22 O ATOM 0 H SER A 73 4.905 -11.405 -11.876 1.00 21.42 H new ATOM 0 HA SER A 73 7.021 -12.662 -10.600 1.00 52.31 H new ATOM 0 HB2 SER A 73 5.909 -12.073 -8.656 1.00 11.11 H new ATOM 0 HB3 SER A 73 5.080 -11.028 -9.794 1.00 11.11 H new ATOM 0 HG SER A 73 3.320 -12.358 -9.796 1.00 20.22 H new ATOM 1136 N TYR A 74 4.537 -14.672 -11.292 1.00 1.24 N ATOM 1137 CA TYR A 74 4.122 -16.069 -11.319 1.00 62.32 C ATOM 1138 C TYR A 74 5.264 -16.967 -11.786 1.00 72.40 C ATOM 1139 O TYR A 74 5.367 -18.124 -11.376 1.00 42.34 O ATOM 1140 CB TYR A 74 2.912 -16.246 -12.237 1.00 54.22 C ATOM 1141 CG TYR A 74 2.031 -17.415 -11.860 1.00 35.15 C ATOM 1142 CD1 TYR A 74 1.404 -17.467 -10.621 1.00 1.24 C ATOM 1143 CD2 TYR A 74 1.824 -18.468 -12.743 1.00 11.15 C ATOM 1144 CE1 TYR A 74 0.599 -18.534 -10.271 1.00 40.42 C ATOM 1145 CE2 TYR A 74 1.019 -19.538 -12.402 1.00 62.12 C ATOM 1146 CZ TYR A 74 0.409 -19.567 -11.165 1.00 45.44 C ATOM 1147 OH TYR A 74 -0.393 -20.630 -10.822 1.00 21.43 O ATOM 0 H TYR A 74 3.926 -14.041 -11.810 1.00 1.24 H new ATOM 0 HA TYR A 74 3.846 -16.359 -10.305 1.00 62.32 H new ATOM 0 HB2 TYR A 74 2.317 -15.333 -12.219 1.00 54.22 H new ATOM 0 HB3 TYR A 74 3.260 -16.380 -13.261 1.00 54.22 H new ATOM 0 HD1 TYR A 74 1.549 -16.659 -9.919 1.00 1.24 H new ATOM 0 HD2 TYR A 74 2.300 -18.450 -13.712 1.00 11.15 H new ATOM 0 HE1 TYR A 74 0.121 -18.559 -9.303 1.00 40.42 H new ATOM 0 HE2 TYR A 74 0.868 -20.348 -13.101 1.00 62.12 H new ATOM 0 HH TYR A 74 -0.422 -21.270 -11.563 1.00 21.43 H new ATOM 1157 N VAL A 75 6.120 -16.426 -12.646 1.00 42.33 N ATOM 1158 CA VAL A 75 7.256 -17.176 -13.169 1.00 2.51 C ATOM 1159 C VAL A 75 8.370 -17.279 -12.133 1.00 12.12 C ATOM 1160 O VAL A 75 9.098 -18.271 -12.087 1.00 3.32 O ATOM 1161 CB VAL A 75 7.818 -16.525 -14.447 1.00 70.21 C ATOM 1162 CG1 VAL A 75 8.873 -17.419 -15.082 1.00 15.31 C ATOM 1163 CG2 VAL A 75 6.696 -16.229 -15.431 1.00 1.22 C ATOM 0 H VAL A 75 6.049 -15.471 -12.996 1.00 42.33 H new ATOM 0 HA VAL A 75 6.892 -18.175 -13.409 1.00 2.51 H new ATOM 0 HB VAL A 75 8.291 -15.581 -14.176 1.00 70.21 H new ATOM 0 HG11 VAL A 75 9.259 -16.943 -15.984 1.00 15.31 H new ATOM 0 HG12 VAL A 75 9.689 -17.576 -14.377 1.00 15.31 H new ATOM 0 HG13 VAL A 75 8.428 -18.380 -15.341 1.00 15.31 H new ATOM 0 HG21 VAL A 75 7.111 -15.769 -16.328 1.00 1.22 H new ATOM 0 HG22 VAL A 75 6.192 -17.158 -15.699 1.00 1.22 H new ATOM 0 HG23 VAL A 75 5.980 -15.547 -14.972 1.00 1.22 H new ATOM 1173 N ILE A 76 8.496 -16.249 -11.303 1.00 13.01 N ATOM 1174 CA ILE A 76 9.520 -16.225 -10.266 1.00 12.11 C ATOM 1175 C ILE A 76 9.323 -17.365 -9.272 1.00 41.15 C ATOM 1176 O ILE A 76 10.287 -17.882 -8.708 1.00 15.32 O ATOM 1177 CB ILE A 76 9.517 -14.887 -9.502 1.00 75.35 C ATOM 1178 CG1 ILE A 76 9.746 -13.723 -10.468 1.00 62.24 C ATOM 1179 CG2 ILE A 76 10.579 -14.897 -8.413 1.00 52.54 C ATOM 1180 CD1 ILE A 76 9.741 -12.369 -9.795 1.00 4.15 C ATOM 0 H ILE A 76 7.902 -15.420 -11.329 1.00 13.01 H new ATOM 0 HA ILE A 76 10.480 -16.345 -10.768 1.00 12.11 H new ATOM 0 HB ILE A 76 8.543 -14.756 -9.030 1.00 75.35 H new ATOM 0 HG12 ILE A 76 10.701 -13.864 -10.974 1.00 62.24 H new ATOM 0 HG13 ILE A 76 8.972 -13.741 -11.236 1.00 62.24 H new ATOM 0 HG21 ILE A 76 10.565 -13.945 -7.882 1.00 52.54 H new ATOM 0 HG22 ILE A 76 10.374 -15.706 -7.712 1.00 52.54 H new ATOM 0 HG23 ILE A 76 11.560 -15.047 -8.863 1.00 52.54 H new ATOM 0 HD11 ILE A 76 9.909 -11.592 -10.540 1.00 4.15 H new ATOM 0 HD12 ILE A 76 8.778 -12.206 -9.312 1.00 4.15 H new ATOM 0 HD13 ILE A 76 10.533 -12.332 -9.047 1.00 4.15 H new ATOM 1192 N GLU A 77 8.068 -17.753 -9.066 1.00 5.21 N ATOM 1193 CA GLU A 77 7.746 -18.833 -8.141 1.00 61.10 C ATOM 1194 C GLU A 77 8.571 -20.079 -8.451 1.00 74.12 C ATOM 1195 O GLU A 77 8.962 -20.818 -7.548 1.00 4.14 O ATOM 1196 CB GLU A 77 6.254 -19.165 -8.210 1.00 60.21 C ATOM 1197 CG GLU A 77 5.711 -19.795 -6.938 1.00 40.51 C ATOM 1198 CD GLU A 77 5.928 -21.294 -6.891 1.00 22.54 C ATOM 1199 OE1 GLU A 77 5.609 -21.971 -7.891 1.00 24.44 O ATOM 1200 OE2 GLU A 77 6.416 -21.791 -5.854 1.00 63.43 O ATOM 0 H GLU A 77 7.259 -17.336 -9.527 1.00 5.21 H new ATOM 0 HA GLU A 77 7.990 -18.499 -7.133 1.00 61.10 H new ATOM 0 HB2 GLU A 77 5.697 -18.252 -8.420 1.00 60.21 H new ATOM 0 HB3 GLU A 77 6.080 -19.844 -9.045 1.00 60.21 H new ATOM 0 HG2 GLU A 77 6.192 -19.335 -6.075 1.00 40.51 H new ATOM 0 HG3 GLU A 77 4.645 -19.583 -6.859 1.00 40.51 H new ATOM 1207 N ASP A 78 8.829 -20.306 -9.734 1.00 43.33 N ATOM 1208 CA ASP A 78 9.607 -21.461 -10.165 1.00 23.51 C ATOM 1209 C ASP A 78 10.981 -21.470 -9.501 1.00 50.45 C ATOM 1210 O ASP A 78 11.539 -22.530 -9.220 1.00 40.32 O ATOM 1211 CB ASP A 78 9.762 -21.461 -11.687 1.00 1.45 C ATOM 1212 CG ASP A 78 10.359 -22.753 -12.208 1.00 50.25 C ATOM 1213 OD1 ASP A 78 11.539 -23.027 -11.904 1.00 72.31 O ATOM 1214 OD2 ASP A 78 9.646 -23.490 -12.921 1.00 30.04 O ATOM 0 H ASP A 78 8.510 -19.705 -10.494 1.00 43.33 H new ATOM 0 HA ASP A 78 9.071 -22.361 -9.863 1.00 23.51 H new ATOM 0 HB2 ASP A 78 8.787 -21.302 -12.149 1.00 1.45 H new ATOM 0 HB3 ASP A 78 10.395 -20.625 -11.985 1.00 1.45 H new ATOM 1219 N ALA A 79 11.521 -20.280 -9.255 1.00 74.33 N ATOM 1220 CA ALA A 79 12.828 -20.151 -8.624 1.00 42.44 C ATOM 1221 C ALA A 79 12.864 -20.873 -7.282 1.00 21.10 C ATOM 1222 O ALA A 79 13.766 -21.669 -7.018 1.00 13.44 O ATOM 1223 CB ALA A 79 13.184 -18.682 -8.445 1.00 64.23 C ATOM 0 H ALA A 79 11.073 -19.392 -9.483 1.00 74.33 H new ATOM 0 HA ALA A 79 13.567 -20.616 -9.277 1.00 42.44 H new ATOM 0 HB1 ALA A 79 14.163 -18.600 -7.972 1.00 64.23 H new ATOM 0 HB2 ALA A 79 13.209 -18.192 -9.419 1.00 64.23 H new ATOM 0 HB3 ALA A 79 12.436 -18.200 -7.816 1.00 64.23 H new ATOM 1229 N VAL A 80 11.878 -20.591 -6.436 1.00 40.44 N ATOM 1230 CA VAL A 80 11.797 -21.214 -5.121 1.00 32.10 C ATOM 1231 C VAL A 80 11.192 -22.611 -5.211 1.00 44.21 C ATOM 1232 O VAL A 80 11.494 -23.483 -4.396 1.00 13.43 O ATOM 1233 CB VAL A 80 10.957 -20.365 -4.148 1.00 51.03 C ATOM 1234 CG1 VAL A 80 11.605 -19.006 -3.929 1.00 75.25 C ATOM 1235 CG2 VAL A 80 9.536 -20.210 -4.668 1.00 13.10 C ATOM 0 H VAL A 80 11.124 -19.935 -6.639 1.00 40.44 H new ATOM 0 HA VAL A 80 12.816 -21.286 -4.742 1.00 32.10 H new ATOM 0 HB VAL A 80 10.914 -20.879 -3.188 1.00 51.03 H new ATOM 0 HG11 VAL A 80 10.998 -18.420 -3.239 1.00 75.25 H new ATOM 0 HG12 VAL A 80 12.602 -19.142 -3.510 1.00 75.25 H new ATOM 0 HG13 VAL A 80 11.680 -18.481 -4.881 1.00 75.25 H new ATOM 0 HG21 VAL A 80 8.956 -19.608 -3.969 1.00 13.10 H new ATOM 0 HG22 VAL A 80 9.556 -19.718 -5.641 1.00 13.10 H new ATOM 0 HG23 VAL A 80 9.076 -21.193 -4.768 1.00 13.10 H new ATOM 1245 N ASP A 81 10.339 -22.817 -6.208 1.00 15.53 N ATOM 1246 CA ASP A 81 9.692 -24.109 -6.406 1.00 41.42 C ATOM 1247 C ASP A 81 10.706 -25.162 -6.841 1.00 73.24 C ATOM 1248 O ASP A 81 10.531 -26.353 -6.582 1.00 14.15 O ATOM 1249 CB ASP A 81 8.580 -23.991 -7.450 1.00 32.45 C ATOM 1250 CG ASP A 81 7.590 -25.137 -7.372 1.00 12.15 C ATOM 1251 OD1 ASP A 81 7.950 -26.260 -7.781 1.00 75.21 O ATOM 1252 OD2 ASP A 81 6.455 -24.910 -6.902 1.00 10.13 O ATOM 0 H ASP A 81 10.079 -22.106 -6.892 1.00 15.53 H new ATOM 0 HA ASP A 81 9.256 -24.420 -5.456 1.00 41.42 H new ATOM 0 HB2 ASP A 81 8.052 -23.048 -7.309 1.00 32.45 H new ATOM 0 HB3 ASP A 81 9.022 -23.963 -8.446 1.00 32.45 H new ATOM 1257 N LYS A 82 11.766 -24.716 -7.506 1.00 63.53 N ATOM 1258 CA LYS A 82 12.809 -25.620 -7.978 1.00 41.43 C ATOM 1259 C LYS A 82 13.387 -26.433 -6.825 1.00 23.31 C ATOM 1260 O LYS A 82 13.870 -27.549 -7.020 1.00 0.02 O ATOM 1261 CB LYS A 82 13.924 -24.829 -8.668 1.00 35.04 C ATOM 1262 CG LYS A 82 14.468 -25.505 -9.914 1.00 32.41 C ATOM 1263 CD LYS A 82 13.400 -25.642 -10.986 1.00 35.02 C ATOM 1264 CE LYS A 82 14.010 -25.938 -12.347 1.00 45.40 C ATOM 1265 NZ LYS A 82 14.535 -27.329 -12.429 1.00 52.04 N ATOM 0 H LYS A 82 11.926 -23.734 -7.731 1.00 63.53 H new ATOM 0 HA LYS A 82 12.362 -26.308 -8.696 1.00 41.43 H new ATOM 0 HB2 LYS A 82 13.546 -23.842 -8.936 1.00 35.04 H new ATOM 0 HB3 LYS A 82 14.740 -24.676 -7.962 1.00 35.04 H new ATOM 0 HG2 LYS A 82 15.306 -24.928 -10.306 1.00 32.41 H new ATOM 0 HG3 LYS A 82 14.853 -26.491 -9.655 1.00 32.41 H new ATOM 0 HD2 LYS A 82 12.710 -26.441 -10.714 1.00 35.02 H new ATOM 0 HD3 LYS A 82 12.817 -24.723 -11.040 1.00 35.02 H new ATOM 0 HE2 LYS A 82 13.259 -25.787 -13.122 1.00 45.40 H new ATOM 0 HE3 LYS A 82 14.817 -25.233 -12.544 1.00 45.40 H new ATOM 0 HZ1 LYS A 82 14.611 -27.613 -13.427 1.00 52.04 H new ATOM 0 HZ2 LYS A 82 15.474 -27.372 -11.984 1.00 52.04 H new ATOM 0 HZ3 LYS A 82 13.887 -27.974 -11.934 1.00 52.04 H new ATOM 1279 N PHE A 83 13.334 -25.868 -5.623 1.00 72.51 N ATOM 1280 CA PHE A 83 13.852 -26.542 -4.438 1.00 72.11 C ATOM 1281 C PHE A 83 12.917 -27.665 -3.998 1.00 54.31 C ATOM 1282 O PHE A 83 13.358 -28.680 -3.458 1.00 73.23 O ATOM 1283 CB PHE A 83 14.037 -25.541 -3.296 1.00 42.43 C ATOM 1284 CG PHE A 83 14.762 -26.111 -2.111 1.00 11.34 C ATOM 1285 CD1 PHE A 83 14.097 -26.907 -1.193 1.00 33.24 C ATOM 1286 CD2 PHE A 83 16.108 -25.850 -1.914 1.00 4.42 C ATOM 1287 CE1 PHE A 83 14.761 -27.434 -0.101 1.00 13.34 C ATOM 1288 CE2 PHE A 83 16.778 -26.374 -0.824 1.00 53.41 C ATOM 1289 CZ PHE A 83 16.103 -27.166 0.084 1.00 12.43 C ATOM 0 H PHE A 83 12.938 -24.945 -5.444 1.00 72.51 H new ATOM 0 HA PHE A 83 14.819 -26.977 -4.692 1.00 72.11 H new ATOM 0 HB2 PHE A 83 14.587 -24.676 -3.667 1.00 42.43 H new ATOM 0 HB3 PHE A 83 13.059 -25.183 -2.975 1.00 42.43 H new ATOM 0 HD1 PHE A 83 13.047 -27.118 -1.332 1.00 33.24 H new ATOM 0 HD2 PHE A 83 16.640 -25.230 -2.620 1.00 4.42 H new ATOM 0 HE1 PHE A 83 14.231 -28.054 0.606 1.00 13.34 H new ATOM 0 HE2 PHE A 83 17.828 -26.164 -0.683 1.00 53.41 H new ATOM 0 HZ PHE A 83 16.624 -27.575 0.937 1.00 12.43 H new ATOM 1299 N LEU A 84 11.623 -27.474 -4.232 1.00 72.30 N ATOM 1300 CA LEU A 84 10.623 -28.470 -3.860 1.00 5.21 C ATOM 1301 C LEU A 84 10.683 -29.676 -4.792 1.00 23.04 C ATOM 1302 O LEU A 84 10.031 -30.692 -4.551 1.00 62.24 O ATOM 1303 CB LEU A 84 9.224 -27.854 -3.894 1.00 52.40 C ATOM 1304 CG LEU A 84 9.051 -26.538 -3.135 1.00 1.34 C ATOM 1305 CD1 LEU A 84 7.716 -25.895 -3.477 1.00 42.24 C ATOM 1306 CD2 LEU A 84 9.164 -26.769 -1.635 1.00 2.23 C ATOM 0 H LEU A 84 11.242 -26.639 -4.677 1.00 72.30 H new ATOM 0 HA LEU A 84 10.840 -28.806 -2.846 1.00 5.21 H new ATOM 0 HB2 LEU A 84 8.947 -27.689 -4.935 1.00 52.40 H new ATOM 0 HB3 LEU A 84 8.519 -28.580 -3.488 1.00 52.40 H new ATOM 0 HG LEU A 84 9.847 -25.858 -3.440 1.00 1.34 H new ATOM 0 HD11 LEU A 84 7.611 -24.960 -2.927 1.00 42.24 H new ATOM 0 HD12 LEU A 84 7.673 -25.694 -4.547 1.00 42.24 H new ATOM 0 HD13 LEU A 84 6.906 -26.570 -3.202 1.00 42.24 H new ATOM 0 HD21 LEU A 84 9.038 -25.822 -1.111 1.00 2.23 H new ATOM 0 HD22 LEU A 84 8.390 -27.466 -1.315 1.00 2.23 H new ATOM 0 HD23 LEU A 84 10.145 -27.184 -1.404 1.00 2.23 H new ATOM 1318 N VAL A 85 11.472 -29.557 -5.855 1.00 72.42 N ATOM 1319 CA VAL A 85 11.620 -30.639 -6.822 1.00 30.04 C ATOM 1320 C VAL A 85 11.957 -31.954 -6.127 1.00 42.24 C ATOM 1321 O VAL A 85 11.612 -33.031 -6.614 1.00 44.32 O ATOM 1322 CB VAL A 85 12.716 -30.321 -7.856 1.00 21.31 C ATOM 1323 CG1 VAL A 85 14.094 -30.406 -7.217 1.00 70.32 C ATOM 1324 CG2 VAL A 85 12.613 -31.262 -9.047 1.00 53.21 C ATOM 0 H VAL A 85 12.018 -28.723 -6.069 1.00 72.42 H new ATOM 0 HA VAL A 85 10.664 -30.738 -7.336 1.00 30.04 H new ATOM 0 HB VAL A 85 12.570 -29.302 -8.213 1.00 21.31 H new ATOM 0 HG11 VAL A 85 14.856 -30.178 -7.963 1.00 70.32 H new ATOM 0 HG12 VAL A 85 14.161 -29.688 -6.399 1.00 70.32 H new ATOM 0 HG13 VAL A 85 14.254 -31.412 -6.830 1.00 70.32 H new ATOM 0 HG21 VAL A 85 13.395 -31.023 -9.768 1.00 53.21 H new ATOM 0 HG22 VAL A 85 12.733 -32.291 -8.709 1.00 53.21 H new ATOM 0 HG23 VAL A 85 11.637 -31.147 -9.519 1.00 53.21 H new ATOM 1334 N ARG A 86 12.633 -31.858 -4.987 1.00 31.10 N ATOM 1335 CA ARG A 86 13.018 -33.040 -4.225 1.00 73.35 C ATOM 1336 C ARG A 86 11.815 -33.633 -3.497 1.00 71.34 C ATOM 1337 O ARG A 86 11.464 -34.795 -3.701 1.00 74.42 O ATOM 1338 CB ARG A 86 14.115 -32.690 -3.219 1.00 12.34 C ATOM 1339 CG ARG A 86 15.518 -32.757 -3.799 1.00 20.22 C ATOM 1340 CD ARG A 86 15.953 -34.194 -4.040 1.00 74.31 C ATOM 1341 NE ARG A 86 17.363 -34.285 -4.406 1.00 64.43 N ATOM 1342 CZ ARG A 86 18.358 -34.166 -3.534 1.00 62.01 C ATOM 1343 NH1 ARG A 86 18.098 -33.952 -2.252 1.00 31.33 N ATOM 1344 NH2 ARG A 86 19.617 -34.261 -3.944 1.00 54.11 N ATOM 0 H ARG A 86 12.925 -30.974 -4.571 1.00 31.10 H new ATOM 0 HA ARG A 86 13.400 -33.783 -4.924 1.00 73.35 H new ATOM 0 HB2 ARG A 86 13.937 -31.685 -2.836 1.00 12.34 H new ATOM 0 HB3 ARG A 86 14.049 -33.371 -2.371 1.00 12.34 H new ATOM 0 HG2 ARG A 86 15.552 -32.203 -4.737 1.00 20.22 H new ATOM 0 HG3 ARG A 86 16.218 -32.273 -3.118 1.00 20.22 H new ATOM 0 HD2 ARG A 86 15.773 -34.783 -3.140 1.00 74.31 H new ATOM 0 HD3 ARG A 86 15.344 -34.629 -4.833 1.00 74.31 H new ATOM 0 HE ARG A 86 17.597 -34.449 -5.385 1.00 64.43 H new ATOM 0 HH11 ARG A 86 17.132 -33.878 -1.933 1.00 31.33 H new ATOM 0 HH12 ARG A 86 18.864 -33.861 -1.585 1.00 31.33 H new ATOM 0 HH21 ARG A 86 19.821 -34.426 -4.930 1.00 54.11 H new ATOM 0 HH22 ARG A 86 20.380 -34.169 -3.273 1.00 54.11 H new ATOM 1358 N VAL A 87 11.188 -32.827 -2.647 1.00 54.31 N ATOM 1359 CA VAL A 87 10.024 -33.271 -1.889 1.00 1.10 C ATOM 1360 C VAL A 87 8.896 -33.705 -2.818 1.00 21.41 C ATOM 1361 O VAL A 87 8.046 -34.514 -2.444 1.00 13.23 O ATOM 1362 CB VAL A 87 9.506 -32.161 -0.954 1.00 62.55 C ATOM 1363 CG1 VAL A 87 10.568 -31.786 0.068 1.00 13.23 C ATOM 1364 CG2 VAL A 87 9.076 -30.945 -1.760 1.00 11.21 C ATOM 0 H VAL A 87 11.466 -31.863 -2.466 1.00 54.31 H new ATOM 0 HA VAL A 87 10.344 -34.122 -1.288 1.00 1.10 H new ATOM 0 HB VAL A 87 8.636 -32.538 -0.416 1.00 62.55 H new ATOM 0 HG11 VAL A 87 10.185 -31.001 0.720 1.00 13.23 H new ATOM 0 HG12 VAL A 87 10.823 -32.661 0.666 1.00 13.23 H new ATOM 0 HG13 VAL A 87 11.459 -31.427 -0.448 1.00 13.23 H new ATOM 0 HG21 VAL A 87 8.713 -30.171 -1.084 1.00 11.21 H new ATOM 0 HG22 VAL A 87 9.926 -30.564 -2.325 1.00 11.21 H new ATOM 0 HG23 VAL A 87 8.280 -31.228 -2.449 1.00 11.21 H new ATOM 1374 N HIS A 88 8.895 -33.164 -4.032 1.00 12.11 N ATOM 1375 CA HIS A 88 7.871 -33.497 -5.016 1.00 41.33 C ATOM 1376 C HIS A 88 8.094 -34.897 -5.580 1.00 2.20 C ATOM 1377 O HIS A 88 7.206 -35.473 -6.206 1.00 60.33 O ATOM 1378 CB HIS A 88 7.872 -32.471 -6.151 1.00 30.45 C ATOM 1379 CG HIS A 88 7.187 -31.187 -5.798 1.00 22.14 C ATOM 1380 ND1 HIS A 88 7.153 -30.096 -6.640 1.00 74.24 N ATOM 1381 CD2 HIS A 88 6.507 -30.823 -4.686 1.00 35.24 C ATOM 1382 CE1 HIS A 88 6.482 -29.116 -6.061 1.00 71.44 C ATOM 1383 NE2 HIS A 88 6.079 -29.532 -4.874 1.00 74.13 N ATOM 0 H HIS A 88 9.591 -32.494 -4.358 1.00 12.11 H new ATOM 0 HA HIS A 88 6.902 -33.476 -4.517 1.00 41.33 H new ATOM 0 HB2 HIS A 88 8.902 -32.257 -6.436 1.00 30.45 H new ATOM 0 HB3 HIS A 88 7.384 -32.906 -7.023 1.00 30.45 H new ATOM 0 HD2 HIS A 88 6.333 -31.434 -3.813 1.00 35.24 H new ATOM 0 HE1 HIS A 88 6.295 -28.141 -6.486 1.00 71.44 H new ATOM 0 HE2 HIS A 88 5.538 -28.983 -4.206 1.00 74.13 H new ATOM 1391 N GLY A 89 9.288 -35.438 -5.353 1.00 55.24 N ATOM 1392 CA GLY A 89 9.606 -36.765 -5.846 1.00 72.12 C ATOM 1393 C GLY A 89 9.650 -36.826 -7.360 1.00 64.41 C ATOM 1394 O GLY A 89 9.548 -37.903 -7.949 1.00 1.15 O ATOM 0 H GLY A 89 10.040 -34.981 -4.837 1.00 55.24 H new ATOM 0 HA2 GLY A 89 10.570 -37.077 -5.445 1.00 72.12 H new ATOM 0 HA3 GLY A 89 8.864 -37.473 -5.478 1.00 72.12 H new ATOM 1398 N VAL A 90 9.802 -35.668 -7.994 1.00 0.45 N ATOM 1399 CA VAL A 90 9.859 -35.593 -9.449 1.00 22.45 C ATOM 1400 C VAL A 90 11.299 -35.481 -9.937 1.00 10.31 C ATOM 1401 O VAL A 90 12.136 -34.853 -9.290 1.00 24.13 O ATOM 1402 CB VAL A 90 9.053 -34.394 -9.982 1.00 34.45 C ATOM 1403 CG1 VAL A 90 9.562 -33.096 -9.375 1.00 41.20 C ATOM 1404 CG2 VAL A 90 9.115 -34.344 -11.501 1.00 3.44 C ATOM 0 H VAL A 90 9.888 -34.768 -7.522 1.00 0.45 H new ATOM 0 HA VAL A 90 9.419 -36.514 -9.831 1.00 22.45 H new ATOM 0 HB VAL A 90 8.011 -34.519 -9.688 1.00 34.45 H new ATOM 0 HG11 VAL A 90 8.980 -32.260 -9.763 1.00 41.20 H new ATOM 0 HG12 VAL A 90 9.459 -33.137 -8.291 1.00 41.20 H new ATOM 0 HG13 VAL A 90 10.612 -32.960 -9.635 1.00 41.20 H new ATOM 0 HG21 VAL A 90 8.540 -33.491 -11.861 1.00 3.44 H new ATOM 0 HG22 VAL A 90 10.152 -34.243 -11.820 1.00 3.44 H new ATOM 0 HG23 VAL A 90 8.697 -35.263 -11.913 1.00 3.44 H new ATOM 1414 N GLU A 91 11.579 -36.093 -11.083 1.00 50.13 N ATOM 1415 CA GLU A 91 12.919 -36.061 -11.658 1.00 73.01 C ATOM 1416 C GLU A 91 13.271 -34.656 -12.138 1.00 64.23 C ATOM 1417 O GLU A 91 12.403 -33.852 -12.478 1.00 33.43 O ATOM 1418 CB GLU A 91 13.022 -37.050 -12.821 1.00 25.43 C ATOM 1419 CG GLU A 91 12.389 -38.400 -12.529 1.00 62.55 C ATOM 1420 CD GLU A 91 12.949 -39.508 -13.401 1.00 52.45 C ATOM 1421 OE1 GLU A 91 14.187 -39.661 -13.445 1.00 2.21 O ATOM 1422 OE2 GLU A 91 12.147 -40.221 -14.040 1.00 62.24 O ATOM 0 H GLU A 91 10.897 -36.617 -11.631 1.00 50.13 H new ATOM 0 HA GLU A 91 13.627 -36.349 -10.881 1.00 73.01 H new ATOM 0 HB2 GLU A 91 12.544 -36.616 -13.699 1.00 25.43 H new ATOM 0 HB3 GLU A 91 14.073 -37.197 -13.070 1.00 25.43 H new ATOM 0 HG2 GLU A 91 12.548 -38.652 -11.481 1.00 62.55 H new ATOM 0 HG3 GLU A 91 11.312 -38.332 -12.681 1.00 62.55 H new ATOM 1429 N PRO A 92 14.577 -34.352 -12.167 1.00 44.24 N ATOM 1430 CA PRO A 92 15.076 -33.044 -12.604 1.00 30.31 C ATOM 1431 C PRO A 92 14.891 -32.824 -14.101 1.00 40.34 C ATOM 1432 O PRO A 92 14.895 -33.774 -14.884 1.00 25.44 O ATOM 1433 CB PRO A 92 16.565 -33.096 -12.251 1.00 35.40 C ATOM 1434 CG PRO A 92 16.903 -34.547 -12.251 1.00 64.14 C ATOM 1435 CD PRO A 92 15.668 -35.261 -11.777 1.00 30.01 C ATOM 0 HA PRO A 92 14.540 -32.223 -12.128 1.00 30.31 H new ATOM 0 HB2 PRO A 92 17.164 -32.550 -12.980 1.00 35.40 H new ATOM 0 HB3 PRO A 92 16.757 -32.645 -11.278 1.00 35.40 H new ATOM 0 HG2 PRO A 92 17.188 -34.881 -13.249 1.00 64.14 H new ATOM 0 HG3 PRO A 92 17.748 -34.751 -11.593 1.00 64.14 H new ATOM 0 HD2 PRO A 92 15.564 -36.239 -12.247 1.00 30.01 H new ATOM 0 HD3 PRO A 92 15.688 -35.426 -10.700 1.00 30.01 H new ATOM 1443 N ASP A 93 14.729 -31.565 -14.494 1.00 1.14 N ATOM 1444 CA ASP A 93 14.544 -31.220 -15.898 1.00 41.53 C ATOM 1445 C ASP A 93 15.055 -29.811 -16.183 1.00 54.52 C ATOM 1446 O ASP A 93 15.103 -28.965 -15.290 1.00 4.22 O ATOM 1447 CB ASP A 93 13.068 -31.328 -16.282 1.00 15.30 C ATOM 1448 CG ASP A 93 12.532 -32.738 -16.132 1.00 21.14 C ATOM 1449 OD1 ASP A 93 12.750 -33.557 -17.049 1.00 64.01 O ATOM 1450 OD2 ASP A 93 11.895 -33.023 -15.096 1.00 65.20 O ATOM 0 H ASP A 93 14.722 -30.767 -13.859 1.00 1.14 H new ATOM 0 HA ASP A 93 15.120 -31.924 -16.499 1.00 41.53 H new ATOM 0 HB2 ASP A 93 12.483 -30.652 -15.658 1.00 15.30 H new ATOM 0 HB3 ASP A 93 12.939 -31.001 -17.314 1.00 15.30 H new ATOM 1455 N ASP A 94 15.435 -29.566 -17.432 1.00 53.14 N ATOM 1456 CA ASP A 94 15.942 -28.259 -17.835 1.00 72.44 C ATOM 1457 C ASP A 94 14.876 -27.472 -18.591 1.00 33.11 C ATOM 1458 O ASP A 94 14.848 -26.243 -18.544 1.00 62.23 O ATOM 1459 CB ASP A 94 17.189 -28.419 -18.706 1.00 73.15 C ATOM 1460 CG ASP A 94 16.850 -28.746 -20.148 1.00 2.43 C ATOM 1461 OD1 ASP A 94 16.510 -27.811 -20.904 1.00 32.51 O ATOM 1462 OD2 ASP A 94 16.927 -29.935 -20.520 1.00 15.02 O ATOM 0 H ASP A 94 15.402 -30.255 -18.183 1.00 53.14 H new ATOM 0 HA ASP A 94 16.206 -27.705 -16.934 1.00 72.44 H new ATOM 0 HB2 ASP A 94 17.772 -27.499 -18.673 1.00 73.15 H new ATOM 0 HB3 ASP A 94 17.817 -29.210 -18.295 1.00 73.15 H new ATOM 1467 N ASN A 95 14.000 -28.190 -19.287 1.00 41.45 N ATOM 1468 CA ASN A 95 12.933 -27.558 -20.055 1.00 12.12 C ATOM 1469 C ASN A 95 11.816 -27.073 -19.136 1.00 34.23 C ATOM 1470 O ASN A 95 11.109 -26.115 -19.450 1.00 2.51 O ATOM 1471 CB ASN A 95 12.370 -28.537 -21.087 1.00 43.02 C ATOM 1472 CG ASN A 95 13.411 -28.968 -22.102 1.00 43.14 C ATOM 1473 OD1 ASN A 95 13.482 -28.424 -23.205 1.00 31.24 O ATOM 1474 ND2 ASN A 95 14.226 -29.950 -21.734 1.00 74.10 N ATOM 0 H ASN A 95 14.008 -29.209 -19.335 1.00 41.45 H new ATOM 0 HA ASN A 95 13.354 -26.696 -20.573 1.00 12.12 H new ATOM 0 HB2 ASN A 95 11.980 -29.416 -20.575 1.00 43.02 H new ATOM 0 HB3 ASN A 95 11.531 -28.072 -21.605 1.00 43.02 H new ATOM 0 HD21 ASN A 95 14.946 -30.282 -22.375 1.00 74.10 H new ATOM 0 HD22 ASN A 95 14.131 -30.372 -20.810 1.00 74.10 H new ATOM 1481 N THR A 96 11.661 -27.742 -17.997 1.00 61.12 N ATOM 1482 CA THR A 96 10.630 -27.381 -17.032 1.00 43.23 C ATOM 1483 C THR A 96 10.731 -25.910 -16.646 1.00 14.35 C ATOM 1484 O THR A 96 9.728 -25.273 -16.323 1.00 63.42 O ATOM 1485 CB THR A 96 10.726 -28.242 -15.759 1.00 70.30 C ATOM 1486 OG1 THR A 96 12.096 -28.391 -15.370 1.00 10.12 O ATOM 1487 CG2 THR A 96 10.106 -29.613 -15.985 1.00 63.13 C ATOM 0 H THR A 96 12.237 -28.537 -17.721 1.00 61.12 H new ATOM 0 HA THR A 96 9.669 -27.563 -17.513 1.00 43.23 H new ATOM 0 HB THR A 96 10.176 -27.738 -14.964 1.00 70.30 H new ATOM 0 HG1 THR A 96 12.146 -28.912 -14.541 1.00 10.12 H new ATOM 0 HG21 THR A 96 10.186 -30.203 -15.072 1.00 63.13 H new ATOM 0 HG22 THR A 96 9.056 -29.498 -16.252 1.00 63.13 H new ATOM 0 HG23 THR A 96 10.632 -30.122 -16.793 1.00 63.13 H new ATOM 1495 N ASN A 97 11.947 -25.375 -16.681 1.00 31.04 N ATOM 1496 CA ASN A 97 12.178 -23.977 -16.333 1.00 74.45 C ATOM 1497 C ASN A 97 11.356 -23.052 -17.227 1.00 24.45 C ATOM 1498 O ASN A 97 11.010 -21.939 -16.833 1.00 72.43 O ATOM 1499 CB ASN A 97 13.664 -23.638 -16.459 1.00 3.04 C ATOM 1500 CG ASN A 97 14.428 -23.902 -15.175 1.00 15.31 C ATOM 1501 OD1 ASN A 97 15.076 -24.938 -15.027 1.00 1.40 O ATOM 1502 ND2 ASN A 97 14.353 -22.963 -14.239 1.00 10.31 N ATOM 0 H ASN A 97 12.788 -25.888 -16.947 1.00 31.04 H new ATOM 0 HA ASN A 97 11.865 -23.828 -15.300 1.00 74.45 H new ATOM 0 HB2 ASN A 97 14.101 -24.226 -17.266 1.00 3.04 H new ATOM 0 HB3 ASN A 97 13.773 -22.589 -16.734 1.00 3.04 H new ATOM 0 HD21 ASN A 97 14.845 -23.085 -13.354 1.00 10.31 H new ATOM 0 HD22 ASN A 97 13.804 -22.120 -14.405 1.00 10.31 H new ATOM 1509 N GLY A 98 11.048 -23.522 -18.432 1.00 20.24 N ATOM 1510 CA GLY A 98 10.270 -22.725 -19.362 1.00 33.23 C ATOM 1511 C GLY A 98 10.913 -21.385 -19.656 1.00 0.41 C ATOM 1512 O GLY A 98 10.222 -20.400 -19.916 1.00 55.32 O ATOM 0 H GLY A 98 11.323 -24.440 -18.780 1.00 20.24 H new ATOM 0 HA2 GLY A 98 10.146 -23.277 -20.294 1.00 33.23 H new ATOM 0 HA3 GLY A 98 9.273 -22.564 -18.952 1.00 33.23 H new ATOM 1516 N PHE A 99 12.241 -21.345 -19.613 1.00 74.13 N ATOM 1517 CA PHE A 99 12.978 -20.114 -19.875 1.00 33.30 C ATOM 1518 C PHE A 99 12.592 -19.527 -21.230 1.00 24.23 C ATOM 1519 O PHE A 99 12.669 -18.316 -21.439 1.00 61.43 O ATOM 1520 CB PHE A 99 14.484 -20.378 -19.830 1.00 43.35 C ATOM 1521 CG PHE A 99 15.310 -19.125 -19.750 1.00 74.43 C ATOM 1522 CD1 PHE A 99 14.994 -18.129 -18.840 1.00 61.15 C ATOM 1523 CD2 PHE A 99 16.401 -18.945 -20.584 1.00 43.22 C ATOM 1524 CE1 PHE A 99 15.752 -16.976 -18.765 1.00 54.53 C ATOM 1525 CE2 PHE A 99 17.163 -17.793 -20.513 1.00 73.42 C ATOM 1526 CZ PHE A 99 16.838 -16.808 -19.602 1.00 11.02 C ATOM 0 H PHE A 99 12.829 -22.151 -19.399 1.00 74.13 H new ATOM 0 HA PHE A 99 12.720 -19.392 -19.100 1.00 33.30 H new ATOM 0 HB2 PHE A 99 14.709 -21.008 -18.969 1.00 43.35 H new ATOM 0 HB3 PHE A 99 14.773 -20.938 -20.719 1.00 43.35 H new ATOM 0 HD1 PHE A 99 14.147 -18.255 -18.183 1.00 61.15 H new ATOM 0 HD2 PHE A 99 16.660 -19.713 -21.298 1.00 43.22 H new ATOM 0 HE1 PHE A 99 15.495 -16.206 -18.052 1.00 54.53 H new ATOM 0 HE2 PHE A 99 18.011 -17.664 -21.169 1.00 73.42 H new ATOM 0 HZ PHE A 99 17.432 -15.908 -19.544 1.00 11.02 H new ATOM 1536 N LYS A 100 12.178 -20.394 -22.147 1.00 62.32 N ATOM 1537 CA LYS A 100 11.780 -19.964 -23.482 1.00 72.43 C ATOM 1538 C LYS A 100 10.667 -18.924 -23.409 1.00 53.03 C ATOM 1539 O LYS A 100 10.749 -17.868 -24.034 1.00 43.44 O ATOM 1540 CB LYS A 100 11.316 -21.165 -24.310 1.00 64.21 C ATOM 1541 CG LYS A 100 11.493 -20.977 -25.807 1.00 3.21 C ATOM 1542 CD LYS A 100 10.288 -20.292 -26.429 1.00 10.10 C ATOM 1543 CE LYS A 100 10.593 -19.794 -27.833 1.00 43.33 C ATOM 1544 NZ LYS A 100 10.921 -20.913 -28.760 1.00 11.42 N ATOM 0 H LYS A 100 12.109 -21.400 -21.990 1.00 62.32 H new ATOM 0 HA LYS A 100 12.646 -19.511 -23.964 1.00 72.43 H new ATOM 0 HB2 LYS A 100 11.871 -22.049 -23.995 1.00 64.21 H new ATOM 0 HB3 LYS A 100 10.264 -21.357 -24.098 1.00 64.21 H new ATOM 0 HG2 LYS A 100 12.388 -20.384 -25.997 1.00 3.21 H new ATOM 0 HG3 LYS A 100 11.646 -21.947 -26.281 1.00 3.21 H new ATOM 0 HD2 LYS A 100 9.450 -20.988 -26.463 1.00 10.10 H new ATOM 0 HD3 LYS A 100 9.981 -19.454 -25.803 1.00 10.10 H new ATOM 0 HE2 LYS A 100 9.734 -19.244 -28.218 1.00 43.33 H new ATOM 0 HE3 LYS A 100 11.429 -19.096 -27.797 1.00 43.33 H new ATOM 0 HZ1 LYS A 100 11.106 -20.534 -29.710 1.00 11.42 H new ATOM 0 HZ2 LYS A 100 11.766 -21.412 -28.416 1.00 11.42 H new ATOM 0 HZ3 LYS A 100 10.120 -21.575 -28.802 1.00 11.42 H new ATOM 1558 N GLY A 101 9.626 -19.230 -22.640 1.00 40.12 N ATOM 1559 CA GLY A 101 8.512 -18.310 -22.499 1.00 23.21 C ATOM 1560 C GLY A 101 8.807 -17.189 -21.522 1.00 74.20 C ATOM 1561 O GLY A 101 8.370 -16.054 -21.718 1.00 64.03 O ATOM 0 H GLY A 101 9.534 -20.098 -22.112 1.00 40.12 H new ATOM 0 HA2 GLY A 101 8.270 -17.885 -23.473 1.00 23.21 H new ATOM 0 HA3 GLY A 101 7.632 -18.858 -22.163 1.00 23.21 H new ATOM 1565 N LEU A 102 9.547 -17.506 -20.466 1.00 32.44 N ATOM 1566 CA LEU A 102 9.898 -16.517 -19.452 1.00 72.24 C ATOM 1567 C LEU A 102 10.730 -15.390 -20.057 1.00 34.43 C ATOM 1568 O LEU A 102 10.450 -14.212 -19.836 1.00 71.52 O ATOM 1569 CB LEU A 102 10.670 -17.180 -18.310 1.00 74.01 C ATOM 1570 CG LEU A 102 11.404 -16.235 -17.359 1.00 0.51 C ATOM 1571 CD1 LEU A 102 10.443 -15.207 -16.780 1.00 65.22 C ATOM 1572 CD2 LEU A 102 12.083 -17.019 -16.246 1.00 32.24 C ATOM 0 H LEU A 102 9.916 -18.440 -20.289 1.00 32.44 H new ATOM 0 HA LEU A 102 8.975 -16.092 -19.059 1.00 72.24 H new ATOM 0 HB2 LEU A 102 9.972 -17.780 -17.727 1.00 74.01 H new ATOM 0 HB3 LEU A 102 11.398 -17.867 -18.741 1.00 74.01 H new ATOM 0 HG LEU A 102 12.172 -15.707 -17.924 1.00 0.51 H new ATOM 0 HD11 LEU A 102 10.984 -14.543 -16.105 1.00 65.22 H new ATOM 0 HD12 LEU A 102 10.004 -14.623 -17.589 1.00 65.22 H new ATOM 0 HD13 LEU A 102 9.652 -15.717 -16.230 1.00 65.22 H new ATOM 0 HD21 LEU A 102 12.600 -16.330 -15.579 1.00 32.24 H new ATOM 0 HD22 LEU A 102 11.333 -17.575 -15.683 1.00 32.24 H new ATOM 0 HD23 LEU A 102 12.802 -17.715 -16.678 1.00 32.24 H new ATOM 1584 N MET A 103 11.752 -15.761 -20.821 1.00 54.23 N ATOM 1585 CA MET A 103 12.622 -14.781 -21.460 1.00 51.44 C ATOM 1586 C MET A 103 11.826 -13.874 -22.394 1.00 61.22 C ATOM 1587 O MET A 103 12.130 -12.689 -22.534 1.00 33.23 O ATOM 1588 CB MET A 103 13.734 -15.486 -22.240 1.00 54.40 C ATOM 1589 CG MET A 103 14.716 -14.529 -22.897 1.00 34.30 C ATOM 1590 SD MET A 103 16.058 -14.046 -21.794 1.00 61.54 S ATOM 1591 CE MET A 103 15.296 -12.690 -20.906 1.00 70.55 C ATOM 0 H MET A 103 11.998 -16.732 -21.012 1.00 54.23 H new ATOM 0 HA MET A 103 13.069 -14.166 -20.679 1.00 51.44 H new ATOM 0 HB2 MET A 103 14.279 -16.145 -21.564 1.00 54.40 H new ATOM 0 HB3 MET A 103 13.285 -16.116 -23.007 1.00 54.40 H new ATOM 0 HG2 MET A 103 15.134 -14.998 -23.788 1.00 34.30 H new ATOM 0 HG3 MET A 103 14.183 -13.637 -23.227 1.00 34.30 H new ATOM 0 HE1 MET A 103 16.047 -11.930 -20.688 1.00 70.55 H new ATOM 0 HE2 MET A 103 14.505 -12.254 -21.516 1.00 70.55 H new ATOM 0 HE3 MET A 103 14.872 -13.059 -19.972 1.00 70.55 H new ATOM 1601 N LYS A 104 10.806 -14.439 -23.032 1.00 45.54 N ATOM 1602 CA LYS A 104 9.966 -13.682 -23.953 1.00 11.25 C ATOM 1603 C LYS A 104 8.951 -12.835 -23.191 1.00 44.52 C ATOM 1604 O LYS A 104 8.538 -11.774 -23.660 1.00 41.10 O ATOM 1605 CB LYS A 104 9.239 -14.630 -24.909 1.00 10.01 C ATOM 1606 CG LYS A 104 10.162 -15.324 -25.896 1.00 11.04 C ATOM 1607 CD LYS A 104 10.683 -14.358 -26.946 1.00 52.23 C ATOM 1608 CE LYS A 104 11.316 -15.095 -28.116 1.00 61.03 C ATOM 1609 NZ LYS A 104 10.295 -15.573 -29.089 1.00 32.32 N ATOM 0 H LYS A 104 10.541 -15.419 -22.928 1.00 45.54 H new ATOM 0 HA LYS A 104 10.609 -13.017 -24.530 1.00 11.25 H new ATOM 0 HB2 LYS A 104 8.710 -15.385 -24.327 1.00 10.01 H new ATOM 0 HB3 LYS A 104 8.486 -14.068 -25.462 1.00 10.01 H new ATOM 0 HG2 LYS A 104 11.001 -15.768 -25.360 1.00 11.04 H new ATOM 0 HG3 LYS A 104 9.628 -16.139 -26.384 1.00 11.04 H new ATOM 0 HD2 LYS A 104 9.865 -13.735 -27.307 1.00 52.23 H new ATOM 0 HD3 LYS A 104 11.417 -13.690 -26.495 1.00 52.23 H new ATOM 0 HE2 LYS A 104 12.020 -14.435 -28.623 1.00 61.03 H new ATOM 0 HE3 LYS A 104 11.888 -15.945 -27.743 1.00 61.03 H new ATOM 0 HZ1 LYS A 104 10.767 -16.070 -29.871 1.00 32.32 H new ATOM 0 HZ2 LYS A 104 9.638 -16.223 -28.612 1.00 32.32 H new ATOM 0 HZ3 LYS A 104 9.766 -14.760 -29.464 1.00 32.32 H new ATOM 1623 N ARG A 105 8.556 -13.309 -22.014 1.00 54.24 N ATOM 1624 CA ARG A 105 7.590 -12.594 -21.188 1.00 72.25 C ATOM 1625 C ARG A 105 8.230 -11.371 -20.539 1.00 52.30 C ATOM 1626 O ARG A 105 7.583 -10.338 -20.363 1.00 2.53 O ATOM 1627 CB ARG A 105 7.025 -13.520 -20.110 1.00 30.51 C ATOM 1628 CG ARG A 105 5.784 -14.281 -20.549 1.00 1.42 C ATOM 1629 CD ARG A 105 5.398 -15.348 -19.537 1.00 61.43 C ATOM 1630 NE ARG A 105 6.017 -16.636 -19.838 1.00 23.51 N ATOM 1631 CZ ARG A 105 5.915 -17.702 -19.052 1.00 21.42 C ATOM 1632 NH1 ARG A 105 5.221 -17.634 -17.924 1.00 24.31 N ATOM 1633 NH2 ARG A 105 6.507 -18.840 -19.394 1.00 1.44 N ATOM 0 H ARG A 105 8.890 -14.185 -21.611 1.00 54.24 H new ATOM 0 HA ARG A 105 6.777 -12.258 -21.832 1.00 72.25 H new ATOM 0 HB2 ARG A 105 7.794 -14.235 -19.817 1.00 30.51 H new ATOM 0 HB3 ARG A 105 6.785 -12.930 -19.226 1.00 30.51 H new ATOM 0 HG2 ARG A 105 4.956 -13.584 -20.679 1.00 1.42 H new ATOM 0 HG3 ARG A 105 5.965 -14.746 -21.518 1.00 1.42 H new ATOM 0 HD2 ARG A 105 5.697 -15.026 -18.539 1.00 61.43 H new ATOM 0 HD3 ARG A 105 4.314 -15.461 -19.524 1.00 61.43 H new ATOM 0 HE ARG A 105 6.557 -16.722 -20.699 1.00 23.51 H new ATOM 0 HH11 ARG A 105 4.764 -16.762 -17.658 1.00 24.31 H new ATOM 0 HH12 ARG A 105 5.144 -18.454 -17.322 1.00 24.31 H new ATOM 0 HH21 ARG A 105 7.041 -18.897 -20.261 1.00 1.44 H new ATOM 0 HH22 ARG A 105 6.428 -19.658 -18.790 1.00 1.44 H new ATOM 1647 N THR A 106 9.505 -11.494 -20.184 1.00 61.32 N ATOM 1648 CA THR A 106 10.232 -10.400 -19.553 1.00 23.41 C ATOM 1649 C THR A 106 10.577 -9.314 -20.565 1.00 4.44 C ATOM 1650 O THR A 106 10.295 -8.135 -20.346 1.00 43.24 O ATOM 1651 CB THR A 106 11.530 -10.898 -18.888 1.00 52.14 C ATOM 1652 OG1 THR A 106 12.285 -11.684 -19.817 1.00 4.04 O ATOM 1653 CG2 THR A 106 11.221 -11.725 -17.650 1.00 14.04 C ATOM 0 H THR A 106 10.056 -12.341 -20.323 1.00 61.32 H new ATOM 0 HA THR A 106 9.577 -9.984 -18.787 1.00 23.41 H new ATOM 0 HB THR A 106 12.115 -10.029 -18.588 1.00 52.14 H new ATOM 0 HG1 THR A 106 13.238 -11.622 -19.599 1.00 4.04 H new ATOM 0 HG21 THR A 106 12.153 -12.065 -17.198 1.00 14.04 H new ATOM 0 HG22 THR A 106 10.671 -11.115 -16.933 1.00 14.04 H new ATOM 0 HG23 THR A 106 10.617 -12.588 -17.930 1.00 14.04 H new ATOM 1661 N THR A 107 11.189 -9.717 -21.674 1.00 5.42 N ATOM 1662 CA THR A 107 11.574 -8.777 -22.719 1.00 55.15 C ATOM 1663 C THR A 107 10.394 -7.906 -23.136 1.00 51.04 C ATOM 1664 O THR A 107 10.559 -6.726 -23.446 1.00 13.32 O ATOM 1665 CB THR A 107 12.120 -9.509 -23.960 1.00 1.14 C ATOM 1666 OG1 THR A 107 12.495 -8.559 -24.964 1.00 31.14 O ATOM 1667 CG2 THR A 107 11.082 -10.467 -24.523 1.00 61.45 C ATOM 0 H THR A 107 11.429 -10.689 -21.872 1.00 5.42 H new ATOM 0 HA THR A 107 12.360 -8.146 -22.303 1.00 55.15 H new ATOM 0 HB THR A 107 12.996 -10.084 -23.660 1.00 1.14 H new ATOM 0 HG1 THR A 107 12.842 -9.032 -25.749 1.00 31.14 H new ATOM 0 HG21 THR A 107 11.490 -10.972 -25.398 1.00 61.45 H new ATOM 0 HG22 THR A 107 10.821 -11.207 -23.766 1.00 61.45 H new ATOM 0 HG23 THR A 107 10.190 -9.910 -24.809 1.00 61.45 H new ATOM 1675 N LYS A 108 9.203 -8.495 -23.142 1.00 53.30 N ATOM 1676 CA LYS A 108 7.994 -7.772 -23.519 1.00 34.40 C ATOM 1677 C LYS A 108 7.816 -6.523 -22.662 1.00 24.34 C ATOM 1678 O LYS A 108 7.507 -5.446 -23.173 1.00 4.15 O ATOM 1679 CB LYS A 108 6.769 -8.679 -23.378 1.00 15.31 C ATOM 1680 CG LYS A 108 6.281 -9.252 -24.697 1.00 62.41 C ATOM 1681 CD LYS A 108 5.770 -8.163 -25.624 1.00 42.54 C ATOM 1682 CE LYS A 108 5.173 -8.747 -26.896 1.00 4.24 C ATOM 1683 NZ LYS A 108 6.219 -9.325 -27.784 1.00 61.04 N ATOM 0 H LYS A 108 9.049 -9.471 -22.890 1.00 53.30 H new ATOM 0 HA LYS A 108 8.094 -7.465 -24.560 1.00 34.40 H new ATOM 0 HB2 LYS A 108 7.011 -9.500 -22.702 1.00 15.31 H new ATOM 0 HB3 LYS A 108 5.960 -8.113 -22.916 1.00 15.31 H new ATOM 0 HG2 LYS A 108 7.094 -9.792 -25.183 1.00 62.41 H new ATOM 0 HG3 LYS A 108 5.486 -9.974 -24.509 1.00 62.41 H new ATOM 0 HD2 LYS A 108 5.017 -7.568 -25.107 1.00 42.54 H new ATOM 0 HD3 LYS A 108 6.587 -7.489 -25.881 1.00 42.54 H new ATOM 0 HE2 LYS A 108 4.449 -9.520 -26.636 1.00 4.24 H new ATOM 0 HE3 LYS A 108 4.630 -7.969 -27.433 1.00 4.24 H new ATOM 0 HZ1 LYS A 108 5.777 -9.682 -28.655 1.00 61.04 H new ATOM 0 HZ2 LYS A 108 6.914 -8.590 -28.025 1.00 61.04 H new ATOM 0 HZ3 LYS A 108 6.698 -10.107 -27.293 1.00 61.04 H new ATOM 1697 N LEU A 109 8.015 -6.674 -21.357 1.00 0.12 N ATOM 1698 CA LEU A 109 7.879 -5.557 -20.428 1.00 73.12 C ATOM 1699 C LEU A 109 9.051 -4.591 -20.562 1.00 65.14 C ATOM 1700 O LEU A 109 8.897 -3.382 -20.384 1.00 64.01 O ATOM 1701 CB LEU A 109 7.789 -6.072 -18.990 1.00 40.35 C ATOM 1702 CG LEU A 109 6.405 -6.523 -18.524 1.00 75.23 C ATOM 1703 CD1 LEU A 109 5.410 -5.376 -18.615 1.00 4.15 C ATOM 1704 CD2 LEU A 109 5.926 -7.711 -19.346 1.00 64.51 C ATOM 0 H LEU A 109 8.271 -7.559 -20.918 1.00 0.12 H new ATOM 0 HA LEU A 109 6.962 -5.022 -20.674 1.00 73.12 H new ATOM 0 HB2 LEU A 109 8.478 -6.910 -18.882 1.00 40.35 H new ATOM 0 HB3 LEU A 109 8.137 -5.285 -18.321 1.00 40.35 H new ATOM 0 HG LEU A 109 6.478 -6.832 -17.481 1.00 75.23 H new ATOM 0 HD11 LEU A 109 4.431 -5.716 -18.279 1.00 4.15 H new ATOM 0 HD12 LEU A 109 5.744 -4.553 -17.983 1.00 4.15 H new ATOM 0 HD13 LEU A 109 5.341 -5.035 -19.648 1.00 4.15 H new ATOM 0 HD21 LEU A 109 4.939 -8.018 -19.000 1.00 64.51 H new ATOM 0 HD22 LEU A 109 5.870 -7.427 -20.397 1.00 64.51 H new ATOM 0 HD23 LEU A 109 6.625 -8.539 -19.230 1.00 64.51 H new ATOM 1716 N LEU A 110 10.223 -5.131 -20.880 1.00 32.43 N ATOM 1717 CA LEU A 110 11.422 -4.317 -21.041 1.00 25.13 C ATOM 1718 C LEU A 110 11.318 -3.433 -22.279 1.00 44.12 C ATOM 1719 O LEU A 110 11.966 -2.389 -22.367 1.00 34.23 O ATOM 1720 CB LEU A 110 12.660 -5.211 -21.141 1.00 32.02 C ATOM 1721 CG LEU A 110 13.436 -5.430 -19.842 1.00 24.10 C ATOM 1722 CD1 LEU A 110 12.530 -6.014 -18.770 1.00 33.21 C ATOM 1723 CD2 LEU A 110 14.634 -6.338 -20.083 1.00 53.21 C ATOM 0 H LEU A 110 10.368 -6.129 -21.031 1.00 32.43 H new ATOM 0 HA LEU A 110 11.515 -3.675 -20.165 1.00 25.13 H new ATOM 0 HB2 LEU A 110 12.351 -6.183 -21.525 1.00 32.02 H new ATOM 0 HB3 LEU A 110 13.338 -4.778 -21.877 1.00 32.02 H new ATOM 0 HG LEU A 110 13.801 -4.464 -19.493 1.00 24.10 H new ATOM 0 HD11 LEU A 110 13.100 -6.163 -17.853 1.00 33.21 H new ATOM 0 HD12 LEU A 110 11.705 -5.328 -18.577 1.00 33.21 H new ATOM 0 HD13 LEU A 110 12.134 -6.971 -19.110 1.00 33.21 H new ATOM 0 HD21 LEU A 110 15.175 -6.483 -19.148 1.00 53.21 H new ATOM 0 HD22 LEU A 110 14.290 -7.303 -20.457 1.00 53.21 H new ATOM 0 HD23 LEU A 110 15.296 -5.880 -20.818 1.00 53.21 H new ATOM 1735 N LYS A 111 10.498 -3.856 -23.235 1.00 32.23 N ATOM 1736 CA LYS A 111 10.305 -3.102 -24.468 1.00 32.24 C ATOM 1737 C LYS A 111 9.373 -1.916 -24.240 1.00 73.51 C ATOM 1738 O LYS A 111 9.389 -0.946 -24.998 1.00 20.13 O ATOM 1739 CB LYS A 111 9.736 -4.010 -25.561 1.00 13.52 C ATOM 1740 CG LYS A 111 10.746 -4.997 -26.119 1.00 0.21 C ATOM 1741 CD LYS A 111 11.540 -4.394 -27.266 1.00 10.24 C ATOM 1742 CE LYS A 111 11.937 -5.451 -28.285 1.00 10.40 C ATOM 1743 NZ LYS A 111 13.177 -6.170 -27.884 1.00 24.14 N ATOM 0 H LYS A 111 9.956 -4.718 -23.179 1.00 32.23 H new ATOM 0 HA LYS A 111 11.275 -2.722 -24.789 1.00 32.24 H new ATOM 0 HB2 LYS A 111 8.887 -4.561 -25.158 1.00 13.52 H new ATOM 0 HB3 LYS A 111 9.357 -3.391 -26.375 1.00 13.52 H new ATOM 0 HG2 LYS A 111 11.428 -5.308 -25.327 1.00 0.21 H new ATOM 0 HG3 LYS A 111 10.229 -5.892 -26.464 1.00 0.21 H new ATOM 0 HD2 LYS A 111 10.946 -3.621 -27.754 1.00 10.24 H new ATOM 0 HD3 LYS A 111 12.435 -3.909 -26.875 1.00 10.24 H new ATOM 0 HE2 LYS A 111 11.123 -6.167 -28.401 1.00 10.40 H new ATOM 0 HE3 LYS A 111 12.088 -4.980 -29.256 1.00 10.40 H new ATOM 0 HZ1 LYS A 111 13.414 -6.882 -28.604 1.00 24.14 H new ATOM 0 HZ2 LYS A 111 13.960 -5.491 -27.798 1.00 24.14 H new ATOM 0 HZ3 LYS A 111 13.025 -6.641 -26.969 1.00 24.14 H new ATOM 1757 N LYS A 112 8.561 -2.000 -23.191 1.00 64.41 N ATOM 1758 CA LYS A 112 7.624 -0.934 -22.861 1.00 52.42 C ATOM 1759 C LYS A 112 8.313 0.169 -22.064 1.00 11.13 C ATOM 1760 O LYS A 112 7.945 1.340 -22.159 1.00 1.13 O ATOM 1761 CB LYS A 112 6.443 -1.493 -22.064 1.00 3.32 C ATOM 1762 CG LYS A 112 5.589 -2.473 -22.849 1.00 12.22 C ATOM 1763 CD LYS A 112 4.855 -3.434 -21.929 1.00 22.22 C ATOM 1764 CE LYS A 112 3.516 -2.867 -21.484 1.00 33.41 C ATOM 1765 NZ LYS A 112 2.597 -3.933 -20.996 1.00 51.02 N ATOM 0 H LYS A 112 8.534 -2.797 -22.555 1.00 64.41 H new ATOM 0 HA LYS A 112 7.255 -0.507 -23.794 1.00 52.42 H new ATOM 0 HB2 LYS A 112 6.821 -1.989 -21.170 1.00 3.32 H new ATOM 0 HB3 LYS A 112 5.817 -0.666 -21.729 1.00 3.32 H new ATOM 0 HG2 LYS A 112 4.867 -1.924 -23.454 1.00 12.22 H new ATOM 0 HG3 LYS A 112 6.219 -3.036 -23.537 1.00 12.22 H new ATOM 0 HD2 LYS A 112 4.697 -4.382 -22.443 1.00 22.22 H new ATOM 0 HD3 LYS A 112 5.471 -3.644 -21.055 1.00 22.22 H new ATOM 0 HE2 LYS A 112 3.677 -2.135 -20.692 1.00 33.41 H new ATOM 0 HE3 LYS A 112 3.050 -2.339 -22.316 1.00 33.41 H new ATOM 0 HZ1 LYS A 112 1.743 -3.497 -20.593 1.00 51.02 H new ATOM 0 HZ2 LYS A 112 2.329 -4.550 -21.789 1.00 51.02 H new ATOM 0 HZ3 LYS A 112 3.076 -4.497 -20.265 1.00 51.02 H new ATOM 1779 N VAL A 113 9.315 -0.213 -21.279 1.00 3.33 N ATOM 1780 CA VAL A 113 10.058 0.744 -20.467 1.00 14.22 C ATOM 1781 C VAL A 113 11.155 1.421 -21.281 1.00 32.14 C ATOM 1782 O VAL A 113 11.461 2.595 -21.074 1.00 50.45 O ATOM 1783 CB VAL A 113 10.690 0.065 -19.237 1.00 41.53 C ATOM 1784 CG1 VAL A 113 11.695 -0.992 -19.669 1.00 1.33 C ATOM 1785 CG2 VAL A 113 11.347 1.101 -18.337 1.00 34.24 C ATOM 0 H VAL A 113 9.631 -1.178 -21.188 1.00 3.33 H new ATOM 0 HA VAL A 113 9.344 1.496 -20.131 1.00 14.22 H new ATOM 0 HB VAL A 113 9.901 -0.429 -18.669 1.00 41.53 H new ATOM 0 HG11 VAL A 113 12.131 -1.461 -18.787 1.00 1.33 H new ATOM 0 HG12 VAL A 113 11.191 -1.749 -20.271 1.00 1.33 H new ATOM 0 HG13 VAL A 113 12.483 -0.525 -20.259 1.00 1.33 H new ATOM 0 HG21 VAL A 113 11.789 0.605 -17.473 1.00 34.24 H new ATOM 0 HG22 VAL A 113 12.126 1.624 -18.892 1.00 34.24 H new ATOM 0 HG23 VAL A 113 10.598 1.818 -18.000 1.00 34.24 H new ATOM 1795 N VAL A 114 11.744 0.672 -22.207 1.00 61.04 N ATOM 1796 CA VAL A 114 12.807 1.200 -23.055 1.00 31.44 C ATOM 1797 C VAL A 114 12.268 2.245 -24.024 1.00 45.45 C ATOM 1798 O VAL A 114 13.035 2.959 -24.673 1.00 34.53 O ATOM 1799 CB VAL A 114 13.495 0.078 -23.856 1.00 11.43 C ATOM 1800 CG1 VAL A 114 12.553 -0.478 -24.912 1.00 61.34 C ATOM 1801 CG2 VAL A 114 14.780 0.589 -24.490 1.00 74.05 C ATOM 0 H VAL A 114 11.504 -0.302 -22.390 1.00 61.04 H new ATOM 0 HA VAL A 114 13.538 1.665 -22.394 1.00 31.44 H new ATOM 0 HB VAL A 114 13.751 -0.731 -23.171 1.00 11.43 H new ATOM 0 HG11 VAL A 114 13.056 -1.269 -25.468 1.00 61.34 H new ATOM 0 HG12 VAL A 114 11.663 -0.883 -24.429 1.00 61.34 H new ATOM 0 HG13 VAL A 114 12.263 0.319 -25.597 1.00 61.34 H new ATOM 0 HG21 VAL A 114 15.254 -0.216 -25.052 1.00 74.05 H new ATOM 0 HG22 VAL A 114 14.550 1.415 -25.163 1.00 74.05 H new ATOM 0 HG23 VAL A 114 15.458 0.934 -23.710 1.00 74.05 H new ATOM 1811 N ASP A 115 10.946 2.332 -24.119 1.00 22.54 N ATOM 1812 CA ASP A 115 10.304 3.292 -25.009 1.00 20.24 C ATOM 1813 C ASP A 115 10.397 4.705 -24.442 1.00 21.14 C ATOM 1814 O ASP A 115 10.977 5.597 -25.061 1.00 4.14 O ATOM 1815 CB ASP A 115 8.839 2.913 -25.230 1.00 53.31 C ATOM 1816 CG ASP A 115 8.249 3.575 -26.460 1.00 44.31 C ATOM 1817 OD1 ASP A 115 8.898 3.529 -27.526 1.00 54.32 O ATOM 1818 OD2 ASP A 115 7.140 4.140 -26.356 1.00 42.23 O ATOM 0 H ASP A 115 10.298 1.749 -23.590 1.00 22.54 H new ATOM 0 HA ASP A 115 10.826 3.269 -25.966 1.00 20.24 H new ATOM 0 HB2 ASP A 115 8.758 1.831 -25.329 1.00 53.31 H new ATOM 0 HB3 ASP A 115 8.257 3.197 -24.353 1.00 53.31 H new ATOM 1823 N LYS A 116 9.821 4.902 -23.261 1.00 11.23 N ATOM 1824 CA LYS A 116 9.838 6.206 -22.609 1.00 3.24 C ATOM 1825 C LYS A 116 11.011 6.314 -21.639 1.00 40.43 C ATOM 1826 O LYS A 116 11.781 7.274 -21.686 1.00 24.01 O ATOM 1827 CB LYS A 116 8.523 6.444 -21.863 1.00 41.11 C ATOM 1828 CG LYS A 116 7.357 6.776 -22.778 1.00 11.12 C ATOM 1829 CD LYS A 116 6.652 5.520 -23.261 1.00 35.25 C ATOM 1830 CE LYS A 116 5.171 5.770 -23.504 1.00 43.43 C ATOM 1831 NZ LYS A 116 4.949 6.824 -24.533 1.00 61.32 N ATOM 0 H LYS A 116 9.336 4.175 -22.735 1.00 11.23 H new ATOM 0 HA LYS A 116 9.954 6.968 -23.380 1.00 3.24 H new ATOM 0 HB2 LYS A 116 8.277 5.554 -21.283 1.00 41.11 H new ATOM 0 HB3 LYS A 116 8.660 7.259 -21.153 1.00 41.11 H new ATOM 0 HG2 LYS A 116 6.647 7.412 -22.248 1.00 11.12 H new ATOM 0 HG3 LYS A 116 7.717 7.345 -23.635 1.00 11.12 H new ATOM 0 HD2 LYS A 116 7.119 5.171 -24.182 1.00 35.25 H new ATOM 0 HD3 LYS A 116 6.772 4.727 -22.522 1.00 35.25 H new ATOM 0 HE2 LYS A 116 4.694 4.844 -23.824 1.00 43.43 H new ATOM 0 HE3 LYS A 116 4.695 6.068 -22.570 1.00 43.43 H new ATOM 0 HZ1 LYS A 116 3.937 6.871 -24.769 1.00 61.32 H new ATOM 0 HZ2 LYS A 116 5.261 7.744 -24.161 1.00 61.32 H new ATOM 0 HZ3 LYS A 116 5.494 6.594 -25.389 1.00 61.32 H new ATOM 1845 N HIS A 117 11.142 5.324 -20.763 1.00 33.34 N ATOM 1846 CA HIS A 117 12.223 5.307 -19.783 1.00 54.04 C ATOM 1847 C HIS A 117 13.573 5.121 -20.468 1.00 43.33 C ATOM 1848 O HIS A 117 14.612 5.497 -19.927 1.00 10.42 O ATOM 1849 CB HIS A 117 11.997 4.191 -18.763 1.00 25.01 C ATOM 1850 CG HIS A 117 12.434 4.550 -17.376 1.00 44.41 C ATOM 1851 ND1 HIS A 117 13.510 5.372 -17.115 1.00 43.43 N ATOM 1852 CD2 HIS A 117 11.933 4.196 -16.170 1.00 73.20 C ATOM 1853 CE1 HIS A 117 13.653 5.507 -15.809 1.00 34.52 C ATOM 1854 NE2 HIS A 117 12.707 4.803 -15.212 1.00 63.33 N ATOM 0 H HIS A 117 10.513 4.522 -20.711 1.00 33.34 H new ATOM 0 HA HIS A 117 12.227 6.266 -19.265 1.00 54.04 H new ATOM 0 HB2 HIS A 117 10.938 3.934 -18.746 1.00 25.01 H new ATOM 0 HB3 HIS A 117 12.536 3.300 -19.086 1.00 25.01 H new ATOM 0 HD1 HIS A 117 14.103 5.808 -17.821 1.00 43.43 H new ATOM 0 HD2 HIS A 117 11.082 3.555 -15.994 1.00 73.20 H new ATOM 0 HE1 HIS A 117 14.413 6.093 -15.313 1.00 34.52 H new ATOM 1862 N GLY A 118 13.551 4.538 -21.663 1.00 33.31 N ATOM 1863 CA GLY A 118 14.779 4.312 -22.401 1.00 63.53 C ATOM 1864 C GLY A 118 15.625 3.208 -21.796 1.00 53.33 C ATOM 1865 O GLY A 118 16.745 2.961 -22.242 1.00 64.24 O ATOM 0 H GLY A 118 12.704 4.218 -22.133 1.00 33.31 H new ATOM 0 HA2 GLY A 118 14.537 4.056 -23.433 1.00 63.53 H new ATOM 0 HA3 GLY A 118 15.358 5.235 -22.429 1.00 63.53 H new ATOM 1869 N ILE A 119 15.088 2.545 -20.777 1.00 43.44 N ATOM 1870 CA ILE A 119 15.802 1.463 -20.110 1.00 53.43 C ATOM 1871 C ILE A 119 16.223 0.387 -21.105 1.00 42.43 C ATOM 1872 O ILE A 119 15.390 -0.357 -21.620 1.00 34.53 O ATOM 1873 CB ILE A 119 14.942 0.818 -19.007 1.00 41.32 C ATOM 1874 CG1 ILE A 119 14.715 1.808 -17.863 1.00 1.22 C ATOM 1875 CG2 ILE A 119 15.605 -0.451 -18.493 1.00 41.14 C ATOM 1876 CD1 ILE A 119 15.986 2.200 -17.142 1.00 50.42 C ATOM 0 H ILE A 119 14.162 2.738 -20.396 1.00 43.44 H new ATOM 0 HA ILE A 119 16.690 1.903 -19.657 1.00 53.43 H new ATOM 0 HB ILE A 119 13.973 0.553 -19.430 1.00 41.32 H new ATOM 0 HG12 ILE A 119 14.240 2.706 -18.259 1.00 1.22 H new ATOM 0 HG13 ILE A 119 14.021 1.370 -17.146 1.00 1.22 H new ATOM 0 HG21 ILE A 119 14.985 -0.895 -17.714 1.00 41.14 H new ATOM 0 HG22 ILE A 119 15.720 -1.159 -19.313 1.00 41.14 H new ATOM 0 HG23 ILE A 119 16.585 -0.209 -18.083 1.00 41.14 H new ATOM 0 HD11 ILE A 119 15.749 2.904 -16.344 1.00 50.42 H new ATOM 0 HD12 ILE A 119 16.452 1.311 -16.716 1.00 50.42 H new ATOM 0 HD13 ILE A 119 16.674 2.668 -17.846 1.00 50.42 H new ATOM 1888 N ALA A 120 17.523 0.311 -21.370 1.00 43.04 N ATOM 1889 CA ALA A 120 18.056 -0.676 -22.301 1.00 25.44 C ATOM 1890 C ALA A 120 18.865 -1.741 -21.567 1.00 60.11 C ATOM 1891 O ALA A 120 19.786 -1.425 -20.812 1.00 55.23 O ATOM 1892 CB ALA A 120 18.913 0.004 -23.359 1.00 33.44 C ATOM 0 H ALA A 120 18.226 0.921 -20.953 1.00 43.04 H new ATOM 0 HA ALA A 120 17.216 -1.168 -22.791 1.00 25.44 H new ATOM 0 HB1 ALA A 120 19.304 -0.745 -24.047 1.00 33.44 H new ATOM 0 HB2 ALA A 120 18.307 0.723 -23.911 1.00 33.44 H new ATOM 0 HB3 ALA A 120 19.742 0.522 -22.878 1.00 33.44 H new