USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 26 THR OG1 : rot 26:sc= 0.638 USER MOD Set 1.2: A 29 SER OG : rot -160:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.121 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.407 (180deg=-1.29) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.969 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.208 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0321) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.517 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.219 (180deg=-1.05) USER MOD Single : A 47 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.32) USER MOD Single : A 55 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.44) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0317) USER MOD Single : A 62 GLN : amide:sc=-0.00881 K(o=-0.0088,f=-0.62) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 132:sc= 0.139 USER MOD Single : A 68 GLN : amide:sc= -3.83! K(o=-3.8!,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.0201 (180deg=-0.163) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.452 (180deg=0.401) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.309 -3.479 9.462 1.00 0.00 N ATOM 2 CA ALA A 1 -6.774 -4.296 8.380 1.00 71.14 C ATOM 3 C ALA A 1 -6.403 -5.689 8.874 1.00 64.14 C ATOM 4 O ALA A 1 -6.330 -5.933 10.079 1.00 40.31 O ATOM 5 CB ALA A 1 -5.565 -3.616 7.753 1.00 73.24 C ATOM 0 H1 ALA A 1 -8.300 -3.240 9.259 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.257 -4.009 10.355 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.752 -2.605 9.545 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.550 -4.404 7.622 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.176 -4.237 6.946 1.00 73.24 H new ATOM 0 HB2 ALA A 1 -5.860 -2.646 7.354 1.00 73.24 H new ATOM 0 HB3 ALA A 1 -4.793 -3.477 8.509 1.00 73.24 H new ATOM 11 N LYS A 2 -6.169 -6.602 7.937 1.00 11.34 N ATOM 12 CA LYS A 2 -5.804 -7.972 8.278 1.00 41.23 C ATOM 13 C LYS A 2 -4.388 -8.290 7.808 1.00 64.10 C ATOM 14 O LYS A 2 -3.872 -7.659 6.885 1.00 2.14 O ATOM 15 CB LYS A 2 -6.794 -8.956 7.650 1.00 51.24 C ATOM 16 CG LYS A 2 -7.100 -8.665 6.191 1.00 4.41 C ATOM 17 CD LYS A 2 -8.422 -7.932 6.034 1.00 62.14 C ATOM 18 CE LYS A 2 -9.594 -8.901 5.996 1.00 12.40 C ATOM 19 NZ LYS A 2 -10.063 -9.258 7.363 1.00 13.23 N ATOM 0 H LYS A 2 -6.226 -6.418 6.935 1.00 11.34 H new ATOM 0 HA LYS A 2 -5.839 -8.072 9.363 1.00 41.23 H new ATOM 0 HB2 LYS A 2 -6.392 -9.966 7.734 1.00 51.24 H new ATOM 0 HB3 LYS A 2 -7.724 -8.935 8.218 1.00 51.24 H new ATOM 0 HG2 LYS A 2 -6.297 -8.065 5.763 1.00 4.41 H new ATOM 0 HG3 LYS A 2 -7.133 -9.600 5.632 1.00 4.41 H new ATOM 0 HD2 LYS A 2 -8.553 -7.233 6.860 1.00 62.14 H new ATOM 0 HD3 LYS A 2 -8.406 -7.342 5.117 1.00 62.14 H new ATOM 0 HE2 LYS A 2 -10.416 -8.455 5.435 1.00 12.40 H new ATOM 0 HE3 LYS A 2 -9.300 -9.806 5.465 1.00 12.40 H new ATOM 0 HZ1 LYS A 2 -11.070 -9.514 7.329 1.00 13.23 H new ATOM 0 HZ2 LYS A 2 -9.513 -10.066 7.719 1.00 13.23 H new ATOM 0 HZ3 LYS A 2 -9.934 -8.444 7.998 1.00 13.23 H new ATOM 33 N LYS A 3 -3.765 -9.275 8.448 1.00 52.35 N ATOM 34 CA LYS A 3 -2.409 -9.680 8.094 1.00 11.13 C ATOM 35 C LYS A 3 -2.331 -10.097 6.629 1.00 11.43 C ATOM 36 O LYS A 3 -1.271 -10.015 6.008 1.00 54.21 O ATOM 37 CB LYS A 3 -1.950 -10.833 8.988 1.00 30.43 C ATOM 38 CG LYS A 3 -2.878 -12.035 8.954 1.00 32.44 C ATOM 39 CD LYS A 3 -3.808 -12.056 10.156 1.00 61.13 C ATOM 40 CE LYS A 3 -4.174 -13.478 10.552 1.00 34.23 C ATOM 41 NZ LYS A 3 -5.037 -13.510 11.766 1.00 71.54 N ATOM 0 H LYS A 3 -4.178 -9.807 9.214 1.00 52.35 H new ATOM 0 HA LYS A 3 -1.750 -8.825 8.246 1.00 11.13 H new ATOM 0 HB2 LYS A 3 -0.952 -11.146 8.680 1.00 30.43 H new ATOM 0 HB3 LYS A 3 -1.869 -10.476 10.015 1.00 30.43 H new ATOM 0 HG2 LYS A 3 -3.467 -12.015 8.037 1.00 32.44 H new ATOM 0 HG3 LYS A 3 -2.288 -12.951 8.934 1.00 32.44 H new ATOM 0 HD2 LYS A 3 -3.329 -11.555 10.997 1.00 61.13 H new ATOM 0 HD3 LYS A 3 -4.715 -11.496 9.926 1.00 61.13 H new ATOM 0 HE2 LYS A 3 -4.692 -13.964 9.725 1.00 34.23 H new ATOM 0 HE3 LYS A 3 -3.264 -14.049 10.738 1.00 34.23 H new ATOM 0 HZ1 LYS A 3 -5.265 -14.496 12.004 1.00 71.54 H new ATOM 0 HZ2 LYS A 3 -4.533 -13.069 12.562 1.00 71.54 H new ATOM 0 HZ3 LYS A 3 -5.916 -12.987 11.581 1.00 71.54 H new ATOM 55 N GLU A 4 -3.459 -10.540 6.083 1.00 62.54 N ATOM 56 CA GLU A 4 -3.515 -10.969 4.690 1.00 54.31 C ATOM 57 C GLU A 4 -3.401 -9.772 3.748 1.00 63.53 C ATOM 58 O GLU A 4 -2.629 -9.794 2.789 1.00 31.30 O ATOM 59 CB GLU A 4 -4.818 -11.723 4.418 1.00 73.43 C ATOM 60 CG GLU A 4 -4.930 -12.252 2.998 1.00 24.52 C ATOM 61 CD GLU A 4 -4.100 -13.501 2.775 1.00 40.34 C ATOM 62 OE1 GLU A 4 -4.536 -14.589 3.206 1.00 40.12 O ATOM 63 OE2 GLU A 4 -3.013 -13.391 2.168 1.00 34.42 O ATOM 0 H GLU A 4 -4.345 -10.611 6.583 1.00 62.54 H new ATOM 0 HA GLU A 4 -2.673 -11.636 4.507 1.00 54.31 H new ATOM 0 HB2 GLU A 4 -4.897 -12.557 5.115 1.00 73.43 H new ATOM 0 HB3 GLU A 4 -5.660 -11.060 4.617 1.00 73.43 H new ATOM 0 HG2 GLU A 4 -5.975 -12.470 2.777 1.00 24.52 H new ATOM 0 HG3 GLU A 4 -4.611 -11.478 2.300 1.00 24.52 H new ATOM 70 N THR A 5 -4.177 -8.730 4.029 1.00 51.41 N ATOM 71 CA THR A 5 -4.165 -7.526 3.207 1.00 53.23 C ATOM 72 C THR A 5 -2.776 -6.899 3.171 1.00 73.14 C ATOM 73 O THR A 5 -2.282 -6.523 2.107 1.00 13.32 O ATOM 74 CB THR A 5 -5.174 -6.484 3.724 1.00 53.22 C ATOM 75 OG1 THR A 5 -6.495 -7.036 3.717 1.00 12.14 O ATOM 76 CG2 THR A 5 -5.139 -5.227 2.867 1.00 14.13 C ATOM 0 H THR A 5 -4.821 -8.695 4.819 1.00 51.41 H new ATOM 0 HA THR A 5 -4.450 -7.828 2.199 1.00 53.23 H new ATOM 0 HB THR A 5 -4.898 -6.217 4.744 1.00 53.22 H new ATOM 0 HG1 THR A 5 -7.148 -6.320 3.573 1.00 12.14 H new ATOM 0 HG21 THR A 5 -5.860 -4.505 3.251 1.00 14.13 H new ATOM 0 HG22 THR A 5 -4.139 -4.793 2.898 1.00 14.13 H new ATOM 0 HG23 THR A 5 -5.393 -5.481 1.838 1.00 14.13 H new ATOM 84 N ILE A 6 -2.151 -6.788 4.338 1.00 62.53 N ATOM 85 CA ILE A 6 -0.818 -6.208 4.439 1.00 73.13 C ATOM 86 C ILE A 6 0.157 -6.902 3.494 1.00 54.13 C ATOM 87 O ILE A 6 0.891 -6.248 2.753 1.00 24.31 O ATOM 88 CB ILE A 6 -0.272 -6.297 5.876 1.00 71.10 C ATOM 89 CG1 ILE A 6 -1.214 -5.581 6.848 1.00 63.35 C ATOM 90 CG2 ILE A 6 1.126 -5.702 5.950 1.00 0.43 C ATOM 91 CD1 ILE A 6 -0.993 -5.964 8.295 1.00 42.43 C ATOM 0 H ILE A 6 -2.547 -7.092 5.227 1.00 62.53 H new ATOM 0 HA ILE A 6 -0.909 -5.159 4.158 1.00 73.13 H new ATOM 0 HB ILE A 6 -0.214 -7.347 6.162 1.00 71.10 H new ATOM 0 HG12 ILE A 6 -1.083 -4.504 6.741 1.00 63.35 H new ATOM 0 HG13 ILE A 6 -2.245 -5.806 6.574 1.00 63.35 H new ATOM 0 HG21 ILE A 6 1.498 -5.773 6.972 1.00 0.43 H new ATOM 0 HG22 ILE A 6 1.791 -6.251 5.283 1.00 0.43 H new ATOM 0 HG23 ILE A 6 1.092 -4.655 5.648 1.00 0.43 H new ATOM 0 HD11 ILE A 6 -1.694 -5.419 8.927 1.00 42.43 H new ATOM 0 HD12 ILE A 6 -1.152 -7.035 8.416 1.00 42.43 H new ATOM 0 HD13 ILE A 6 0.027 -5.714 8.586 1.00 42.43 H new ATOM 103 N ASP A 7 0.156 -8.230 3.522 1.00 35.11 N ATOM 104 CA ASP A 7 1.038 -9.014 2.665 1.00 10.43 C ATOM 105 C ASP A 7 0.785 -8.701 1.193 1.00 34.51 C ATOM 106 O ASP A 7 1.707 -8.710 0.378 1.00 0.54 O ATOM 107 CB ASP A 7 0.839 -10.509 2.924 1.00 3.43 C ATOM 108 CG ASP A 7 2.088 -11.317 2.632 1.00 4.34 C ATOM 109 OD1 ASP A 7 2.796 -10.986 1.658 1.00 2.11 O ATOM 110 OD2 ASP A 7 2.358 -12.280 3.379 1.00 44.21 O ATOM 0 H ASP A 7 -0.446 -8.786 4.129 1.00 35.11 H new ATOM 0 HA ASP A 7 2.068 -8.746 2.902 1.00 10.43 H new ATOM 0 HB2 ASP A 7 0.547 -10.659 3.963 1.00 3.43 H new ATOM 0 HB3 ASP A 7 0.019 -10.876 2.306 1.00 3.43 H new ATOM 115 N LYS A 8 -0.472 -8.427 0.860 1.00 21.30 N ATOM 116 CA LYS A 8 -0.848 -8.112 -0.513 1.00 30.33 C ATOM 117 C LYS A 8 -0.278 -6.762 -0.937 1.00 71.50 C ATOM 118 O LYS A 8 0.416 -6.661 -1.949 1.00 12.13 O ATOM 119 CB LYS A 8 -2.372 -8.101 -0.656 1.00 73.35 C ATOM 120 CG LYS A 8 -3.045 -9.337 -0.084 1.00 0.13 C ATOM 121 CD LYS A 8 -3.851 -10.072 -1.141 1.00 61.45 C ATOM 122 CE LYS A 8 -4.961 -9.199 -1.706 1.00 11.23 C ATOM 123 NZ LYS A 8 -6.046 -10.009 -2.323 1.00 42.21 N ATOM 0 H LYS A 8 -1.248 -8.417 1.522 1.00 21.30 H new ATOM 0 HA LYS A 8 -0.433 -8.882 -1.163 1.00 30.33 H new ATOM 0 HB2 LYS A 8 -2.769 -7.217 -0.157 1.00 73.35 H new ATOM 0 HB3 LYS A 8 -2.629 -8.013 -1.712 1.00 73.35 H new ATOM 0 HG2 LYS A 8 -2.290 -10.006 0.329 1.00 0.13 H new ATOM 0 HG3 LYS A 8 -3.699 -9.048 0.739 1.00 0.13 H new ATOM 0 HD2 LYS A 8 -3.190 -10.389 -1.948 1.00 61.45 H new ATOM 0 HD3 LYS A 8 -4.282 -10.975 -0.708 1.00 61.45 H new ATOM 0 HE2 LYS A 8 -5.377 -8.581 -0.910 1.00 11.23 H new ATOM 0 HE3 LYS A 8 -4.545 -8.521 -2.452 1.00 11.23 H new ATOM 0 HZ1 LYS A 8 -6.782 -9.376 -2.696 1.00 42.21 H new ATOM 0 HZ2 LYS A 8 -5.655 -10.580 -3.099 1.00 42.21 H new ATOM 0 HZ3 LYS A 8 -6.460 -10.638 -1.606 1.00 42.21 H new ATOM 137 N VAL A 9 -0.573 -5.728 -0.156 1.00 75.53 N ATOM 138 CA VAL A 9 -0.088 -4.385 -0.450 1.00 61.20 C ATOM 139 C VAL A 9 1.436 -4.351 -0.498 1.00 34.03 C ATOM 140 O VAL A 9 2.026 -3.910 -1.484 1.00 13.02 O ATOM 141 CB VAL A 9 -0.581 -3.369 0.597 1.00 13.24 C ATOM 142 CG1 VAL A 9 -0.087 -1.971 0.258 1.00 43.42 C ATOM 143 CG2 VAL A 9 -2.099 -3.398 0.694 1.00 40.02 C ATOM 0 H VAL A 9 -1.146 -5.795 0.685 1.00 75.53 H new ATOM 0 HA VAL A 9 -0.486 -4.110 -1.427 1.00 61.20 H new ATOM 0 HB VAL A 9 -0.172 -3.647 1.568 1.00 13.24 H new ATOM 0 HG11 VAL A 9 -0.445 -1.267 1.009 1.00 43.42 H new ATOM 0 HG12 VAL A 9 1.003 -1.964 0.244 1.00 43.42 H new ATOM 0 HG13 VAL A 9 -0.464 -1.680 -0.722 1.00 43.42 H new ATOM 0 HG21 VAL A 9 -2.430 -2.674 1.439 1.00 40.02 H new ATOM 0 HG22 VAL A 9 -2.530 -3.145 -0.275 1.00 40.02 H new ATOM 0 HG23 VAL A 9 -2.426 -4.396 0.988 1.00 40.02 H new ATOM 153 N SER A 10 2.067 -4.819 0.574 1.00 14.30 N ATOM 154 CA SER A 10 3.522 -4.838 0.656 1.00 43.32 C ATOM 155 C SER A 10 4.124 -5.581 -0.533 1.00 52.11 C ATOM 156 O SER A 10 5.173 -5.199 -1.052 1.00 52.05 O ATOM 157 CB SER A 10 3.972 -5.495 1.962 1.00 3.30 C ATOM 158 OG SER A 10 5.268 -6.054 1.832 1.00 42.12 O ATOM 0 H SER A 10 1.593 -5.190 1.398 1.00 14.30 H new ATOM 0 HA SER A 10 3.875 -3.807 0.635 1.00 43.32 H new ATOM 0 HB2 SER A 10 3.970 -4.757 2.764 1.00 3.30 H new ATOM 0 HB3 SER A 10 3.263 -6.274 2.244 1.00 3.30 H new ATOM 0 HG SER A 10 5.533 -6.466 2.681 1.00 42.12 H new ATOM 164 N ASP A 11 3.452 -6.645 -0.959 1.00 72.02 N ATOM 165 CA ASP A 11 3.917 -7.442 -2.088 1.00 42.52 C ATOM 166 C ASP A 11 4.016 -6.591 -3.350 1.00 72.22 C ATOM 167 O ASP A 11 4.976 -6.703 -4.112 1.00 0.42 O ATOM 168 CB ASP A 11 2.977 -8.625 -2.327 1.00 32.30 C ATOM 169 CG ASP A 11 3.440 -9.884 -1.621 1.00 24.54 C ATOM 170 OD1 ASP A 11 4.074 -9.765 -0.551 1.00 24.14 O ATOM 171 OD2 ASP A 11 3.167 -10.987 -2.136 1.00 61.11 O ATOM 0 H ASP A 11 2.583 -6.976 -0.539 1.00 72.02 H new ATOM 0 HA ASP A 11 4.911 -7.821 -1.849 1.00 42.52 H new ATOM 0 HB2 ASP A 11 1.976 -8.366 -1.982 1.00 32.30 H new ATOM 0 HB3 ASP A 11 2.905 -8.818 -3.397 1.00 32.30 H new ATOM 176 N ILE A 12 3.015 -5.745 -3.567 1.00 32.24 N ATOM 177 CA ILE A 12 2.989 -4.875 -4.736 1.00 65.23 C ATOM 178 C ILE A 12 3.947 -3.701 -4.569 1.00 44.04 C ATOM 179 O ILE A 12 4.683 -3.350 -5.492 1.00 72.21 O ATOM 180 CB ILE A 12 1.573 -4.334 -5.004 1.00 53.33 C ATOM 181 CG1 ILE A 12 0.592 -5.490 -5.211 1.00 72.42 C ATOM 182 CG2 ILE A 12 1.578 -3.414 -6.215 1.00 54.32 C ATOM 183 CD1 ILE A 12 -0.712 -5.317 -4.465 1.00 62.30 C ATOM 0 H ILE A 12 2.211 -5.643 -2.948 1.00 32.24 H new ATOM 0 HA ILE A 12 3.304 -5.480 -5.586 1.00 65.23 H new ATOM 0 HB ILE A 12 1.250 -3.759 -4.136 1.00 53.33 H new ATOM 0 HG12 ILE A 12 0.381 -5.591 -6.276 1.00 72.42 H new ATOM 0 HG13 ILE A 12 1.064 -6.418 -4.890 1.00 72.42 H new ATOM 0 HG21 ILE A 12 0.570 -3.040 -6.392 1.00 54.32 H new ATOM 0 HG22 ILE A 12 2.250 -2.575 -6.032 1.00 54.32 H new ATOM 0 HG23 ILE A 12 1.918 -3.967 -7.091 1.00 54.32 H new ATOM 0 HD11 ILE A 12 -1.358 -6.173 -4.658 1.00 62.30 H new ATOM 0 HD12 ILE A 12 -0.513 -5.247 -3.396 1.00 62.30 H new ATOM 0 HD13 ILE A 12 -1.206 -4.406 -4.803 1.00 62.30 H new ATOM 195 N VAL A 13 3.934 -3.097 -3.386 1.00 52.11 N ATOM 196 CA VAL A 13 4.803 -1.962 -3.097 1.00 63.42 C ATOM 197 C VAL A 13 6.272 -2.349 -3.227 1.00 3.11 C ATOM 198 O VAL A 13 7.018 -1.748 -4.001 1.00 24.15 O ATOM 199 CB VAL A 13 4.553 -1.410 -1.680 1.00 50.14 C ATOM 200 CG1 VAL A 13 5.342 -0.129 -1.460 1.00 41.51 C ATOM 201 CG2 VAL A 13 3.067 -1.176 -1.456 1.00 74.41 C ATOM 0 H VAL A 13 3.331 -3.374 -2.611 1.00 52.11 H new ATOM 0 HA VAL A 13 4.567 -1.188 -3.827 1.00 63.42 H new ATOM 0 HB VAL A 13 4.895 -2.148 -0.954 1.00 50.14 H new ATOM 0 HG11 VAL A 13 5.153 0.246 -0.454 1.00 41.51 H new ATOM 0 HG12 VAL A 13 6.406 -0.333 -1.577 1.00 41.51 H new ATOM 0 HG13 VAL A 13 5.033 0.619 -2.190 1.00 41.51 H new ATOM 0 HG21 VAL A 13 2.908 -0.786 -0.451 1.00 74.41 H new ATOM 0 HG22 VAL A 13 2.698 -0.457 -2.187 1.00 74.41 H new ATOM 0 HG23 VAL A 13 2.529 -2.117 -1.570 1.00 74.41 H new ATOM 211 N LYS A 14 6.682 -3.358 -2.466 1.00 24.21 N ATOM 212 CA LYS A 14 8.062 -3.829 -2.496 1.00 41.22 C ATOM 213 C LYS A 14 8.495 -4.155 -3.922 1.00 53.42 C ATOM 214 O LYS A 14 9.662 -3.998 -4.277 1.00 72.12 O ATOM 215 CB LYS A 14 8.221 -5.065 -1.609 1.00 32.33 C ATOM 216 CG LYS A 14 7.619 -6.325 -2.207 1.00 2.54 C ATOM 217 CD LYS A 14 7.387 -7.389 -1.147 1.00 62.10 C ATOM 218 CE LYS A 14 8.692 -7.817 -0.492 1.00 5.12 C ATOM 219 NZ LYS A 14 8.555 -9.118 0.219 1.00 1.41 N ATOM 0 H LYS A 14 6.078 -3.866 -1.820 1.00 24.21 H new ATOM 0 HA LYS A 14 8.699 -3.031 -2.114 1.00 41.22 H new ATOM 0 HB2 LYS A 14 9.281 -5.233 -1.421 1.00 32.33 H new ATOM 0 HB3 LYS A 14 7.753 -4.872 -0.644 1.00 32.33 H new ATOM 0 HG2 LYS A 14 6.674 -6.083 -2.693 1.00 2.54 H new ATOM 0 HG3 LYS A 14 8.283 -6.716 -2.978 1.00 2.54 H new ATOM 0 HD2 LYS A 14 6.706 -7.005 -0.387 1.00 62.10 H new ATOM 0 HD3 LYS A 14 6.904 -8.255 -1.599 1.00 62.10 H new ATOM 0 HE2 LYS A 14 9.470 -7.898 -1.251 1.00 5.12 H new ATOM 0 HE3 LYS A 14 9.013 -7.050 0.213 1.00 5.12 H new ATOM 0 HZ1 LYS A 14 9.465 -9.375 0.652 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 7.831 -9.034 0.961 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 8.273 -9.856 -0.458 1.00 1.41 H new ATOM 233 N GLU A 15 7.544 -4.608 -4.735 1.00 24.24 N ATOM 234 CA GLU A 15 7.829 -4.956 -6.122 1.00 62.14 C ATOM 235 C GLU A 15 8.136 -3.707 -6.944 1.00 32.34 C ATOM 236 O GLU A 15 8.938 -3.745 -7.876 1.00 42.50 O ATOM 237 CB GLU A 15 6.646 -5.706 -6.737 1.00 34.34 C ATOM 238 CG GLU A 15 6.940 -6.291 -8.108 1.00 24.04 C ATOM 239 CD GLU A 15 6.610 -5.330 -9.234 1.00 64.43 C ATOM 240 OE1 GLU A 15 5.450 -4.873 -9.303 1.00 21.33 O ATOM 241 OE2 GLU A 15 7.512 -5.037 -10.047 1.00 31.41 O ATOM 0 H GLU A 15 6.572 -4.742 -4.457 1.00 24.24 H new ATOM 0 HA GLU A 15 8.706 -5.603 -6.134 1.00 62.14 H new ATOM 0 HB2 GLU A 15 6.348 -6.511 -6.065 1.00 34.34 H new ATOM 0 HB3 GLU A 15 5.798 -5.026 -6.816 1.00 34.34 H new ATOM 0 HG2 GLU A 15 7.994 -6.563 -8.165 1.00 24.04 H new ATOM 0 HG3 GLU A 15 6.366 -7.209 -8.238 1.00 24.04 H new ATOM 248 N LYS A 16 7.490 -2.601 -6.591 1.00 55.45 N ATOM 249 CA LYS A 16 7.692 -1.340 -7.294 1.00 53.21 C ATOM 250 C LYS A 16 8.943 -0.629 -6.787 1.00 62.43 C ATOM 251 O LYS A 16 9.538 0.184 -7.497 1.00 62.41 O ATOM 252 CB LYS A 16 6.471 -0.433 -7.118 1.00 1.44 C ATOM 253 CG LYS A 16 5.171 -1.065 -7.583 1.00 22.30 C ATOM 254 CD LYS A 16 4.958 -0.869 -9.075 1.00 2.52 C ATOM 255 CE LYS A 16 4.607 0.575 -9.402 1.00 43.15 C ATOM 256 NZ LYS A 16 5.118 0.981 -10.740 1.00 65.35 N ATOM 0 H LYS A 16 6.822 -2.552 -5.822 1.00 55.45 H new ATOM 0 HA LYS A 16 7.824 -1.560 -8.353 1.00 53.21 H new ATOM 0 HB2 LYS A 16 6.378 -0.163 -6.066 1.00 1.44 H new ATOM 0 HB3 LYS A 16 6.634 0.492 -7.671 1.00 1.44 H new ATOM 0 HG2 LYS A 16 5.181 -2.130 -7.353 1.00 22.30 H new ATOM 0 HG3 LYS A 16 4.336 -0.628 -7.035 1.00 22.30 H new ATOM 0 HD2 LYS A 16 5.861 -1.156 -9.614 1.00 2.52 H new ATOM 0 HD3 LYS A 16 4.159 -1.526 -9.419 1.00 2.52 H new ATOM 0 HE2 LYS A 16 3.525 0.701 -9.373 1.00 43.15 H new ATOM 0 HE3 LYS A 16 5.025 1.232 -8.639 1.00 43.15 H new ATOM 0 HZ1 LYS A 16 4.732 1.913 -10.991 1.00 65.35 H new ATOM 0 HZ2 LYS A 16 6.156 1.032 -10.714 1.00 65.35 H new ATOM 0 HZ3 LYS A 16 4.823 0.282 -11.451 1.00 65.35 H new ATOM 270 N LEU A 17 9.338 -0.942 -5.558 1.00 44.44 N ATOM 271 CA LEU A 17 10.522 -0.334 -4.957 1.00 74.25 C ATOM 272 C LEU A 17 11.748 -1.218 -5.159 1.00 3.24 C ATOM 273 O LEU A 17 12.879 -0.789 -4.927 1.00 70.34 O ATOM 274 CB LEU A 17 10.292 -0.092 -3.465 1.00 41.20 C ATOM 275 CG LEU A 17 9.061 0.740 -3.101 1.00 1.12 C ATOM 276 CD1 LEU A 17 9.019 1.004 -1.604 1.00 40.35 C ATOM 277 CD2 LEU A 17 9.056 2.050 -3.876 1.00 72.04 C ATOM 0 H LEU A 17 8.857 -1.612 -4.958 1.00 44.44 H new ATOM 0 HA LEU A 17 10.701 0.622 -5.450 1.00 74.25 H new ATOM 0 HB2 LEU A 17 10.212 -1.059 -2.969 1.00 41.20 H new ATOM 0 HB3 LEU A 17 11.174 0.403 -3.058 1.00 41.20 H new ATOM 0 HG LEU A 17 8.170 0.175 -3.374 1.00 1.12 H new ATOM 0 HD11 LEU A 17 8.137 1.597 -1.364 1.00 40.35 H new ATOM 0 HD12 LEU A 17 8.976 0.056 -1.068 1.00 40.35 H new ATOM 0 HD13 LEU A 17 9.915 1.549 -1.305 1.00 40.35 H new ATOM 0 HD21 LEU A 17 8.174 2.630 -3.605 1.00 72.04 H new ATOM 0 HD22 LEU A 17 9.953 2.620 -3.633 1.00 72.04 H new ATOM 0 HD23 LEU A 17 9.038 1.840 -4.945 1.00 72.04 H new ATOM 289 N ALA A 18 11.518 -2.453 -5.593 1.00 32.24 N ATOM 290 CA ALA A 18 12.605 -3.395 -5.829 1.00 22.00 C ATOM 291 C ALA A 18 12.079 -4.708 -6.398 1.00 35.32 C ATOM 292 O ALA A 18 10.871 -4.885 -6.564 1.00 42.34 O ATOM 293 CB ALA A 18 13.375 -3.646 -4.540 1.00 53.34 C ATOM 0 H ALA A 18 10.588 -2.824 -5.788 1.00 32.24 H new ATOM 0 HA ALA A 18 13.281 -2.956 -6.563 1.00 22.00 H new ATOM 0 HB1 ALA A 18 14.184 -4.351 -4.731 1.00 53.34 H new ATOM 0 HB2 ALA A 18 13.791 -2.707 -4.176 1.00 53.34 H new ATOM 0 HB3 ALA A 18 12.702 -4.060 -3.789 1.00 53.34 H new ATOM 299 N LEU A 19 12.991 -5.627 -6.694 1.00 41.50 N ATOM 300 CA LEU A 19 12.620 -6.925 -7.245 1.00 54.33 C ATOM 301 C LEU A 19 11.938 -7.790 -6.190 1.00 13.21 C ATOM 302 O LEU A 19 11.201 -8.720 -6.516 1.00 41.44 O ATOM 303 CB LEU A 19 13.855 -7.643 -7.790 1.00 23.14 C ATOM 304 CG LEU A 19 14.721 -6.845 -8.765 1.00 55.43 C ATOM 305 CD1 LEU A 19 16.019 -7.583 -9.055 1.00 32.45 C ATOM 306 CD2 LEU A 19 13.960 -6.575 -10.055 1.00 72.44 C ATOM 0 H LEU A 19 13.994 -5.497 -6.561 1.00 41.50 H new ATOM 0 HA LEU A 19 11.917 -6.757 -8.061 1.00 54.33 H new ATOM 0 HB2 LEU A 19 14.476 -7.945 -6.947 1.00 23.14 H new ATOM 0 HB3 LEU A 19 13.529 -8.556 -8.289 1.00 23.14 H new ATOM 0 HG LEU A 19 14.967 -5.889 -8.303 1.00 55.43 H new ATOM 0 HD11 LEU A 19 16.622 -6.999 -9.751 1.00 32.45 H new ATOM 0 HD12 LEU A 19 16.572 -7.725 -8.127 1.00 32.45 H new ATOM 0 HD13 LEU A 19 15.795 -8.554 -9.496 1.00 32.45 H new ATOM 0 HD21 LEU A 19 14.591 -6.006 -10.738 1.00 72.44 H new ATOM 0 HD22 LEU A 19 13.684 -7.522 -10.520 1.00 72.44 H new ATOM 0 HD23 LEU A 19 13.059 -6.004 -9.833 1.00 72.44 H new ATOM 318 N GLY A 20 12.187 -7.474 -4.923 1.00 34.12 N ATOM 319 CA GLY A 20 11.587 -8.231 -3.839 1.00 3.35 C ATOM 320 C GLY A 20 12.439 -9.411 -3.416 1.00 2.43 C ATOM 321 O GLY A 20 12.019 -10.227 -2.596 1.00 54.14 O ATOM 0 H GLY A 20 12.793 -6.708 -4.628 1.00 34.12 H new ATOM 0 HA2 GLY A 20 11.431 -7.574 -2.983 1.00 3.35 H new ATOM 0 HA3 GLY A 20 10.605 -8.588 -4.149 1.00 3.35 H new ATOM 325 N ALA A 21 13.640 -9.503 -3.977 1.00 61.05 N ATOM 326 CA ALA A 21 14.554 -10.593 -3.653 1.00 32.24 C ATOM 327 C ALA A 21 15.397 -10.255 -2.428 1.00 45.05 C ATOM 328 O ALA A 21 15.359 -10.964 -1.422 1.00 31.20 O ATOM 329 CB ALA A 21 15.448 -10.903 -4.844 1.00 64.44 C ATOM 0 H ALA A 21 14.003 -8.836 -4.658 1.00 61.05 H new ATOM 0 HA ALA A 21 13.960 -11.477 -3.420 1.00 32.24 H new ATOM 0 HB1 ALA A 21 16.125 -11.718 -4.588 1.00 64.44 H new ATOM 0 HB2 ALA A 21 14.832 -11.196 -5.695 1.00 64.44 H new ATOM 0 HB3 ALA A 21 16.028 -10.018 -5.104 1.00 64.44 H new ATOM 335 N ASP A 22 16.160 -9.172 -2.522 1.00 14.12 N ATOM 336 CA ASP A 22 17.014 -8.740 -1.421 1.00 34.33 C ATOM 337 C ASP A 22 16.349 -7.623 -0.623 1.00 15.22 C ATOM 338 O ASP A 22 16.992 -6.958 0.189 1.00 34.21 O ATOM 339 CB ASP A 22 18.367 -8.269 -1.952 1.00 44.20 C ATOM 340 CG ASP A 22 19.136 -9.378 -2.644 1.00 23.34 C ATOM 341 OD1 ASP A 22 19.459 -10.383 -1.975 1.00 51.10 O ATOM 342 OD2 ASP A 22 19.415 -9.242 -3.852 1.00 44.54 O ATOM 0 H ASP A 22 16.205 -8.577 -3.349 1.00 14.12 H new ATOM 0 HA ASP A 22 17.169 -9.592 -0.759 1.00 34.33 H new ATOM 0 HB2 ASP A 22 18.213 -7.447 -2.651 1.00 44.20 H new ATOM 0 HB3 ASP A 22 18.962 -7.879 -1.126 1.00 44.20 H new ATOM 347 N VAL A 23 15.056 -7.420 -0.862 1.00 0.54 N ATOM 348 CA VAL A 23 14.304 -6.383 -0.165 1.00 52.35 C ATOM 349 C VAL A 23 13.137 -6.979 0.613 1.00 4.14 C ATOM 350 O VAL A 23 12.427 -7.853 0.117 1.00 64.52 O ATOM 351 CB VAL A 23 13.764 -5.326 -1.148 1.00 44.33 C ATOM 352 CG1 VAL A 23 12.966 -4.266 -0.406 1.00 53.34 C ATOM 353 CG2 VAL A 23 14.907 -4.695 -1.930 1.00 14.43 C ATOM 0 H VAL A 23 14.509 -7.960 -1.532 1.00 0.54 H new ATOM 0 HA VAL A 23 14.994 -5.905 0.530 1.00 52.35 H new ATOM 0 HB VAL A 23 13.097 -5.819 -1.856 1.00 44.33 H new ATOM 0 HG11 VAL A 23 12.593 -3.528 -1.116 1.00 53.34 H new ATOM 0 HG12 VAL A 23 12.126 -4.735 0.106 1.00 53.34 H new ATOM 0 HG13 VAL A 23 13.607 -3.774 0.325 1.00 53.34 H new ATOM 0 HG21 VAL A 23 14.509 -3.951 -2.620 1.00 14.43 H new ATOM 0 HG22 VAL A 23 15.600 -4.215 -1.239 1.00 14.43 H new ATOM 0 HG23 VAL A 23 15.432 -5.467 -2.493 1.00 14.43 H new ATOM 363 N VAL A 24 12.943 -6.499 1.837 1.00 22.14 N ATOM 364 CA VAL A 24 11.861 -6.984 2.686 1.00 4.15 C ATOM 365 C VAL A 24 11.075 -5.825 3.289 1.00 3.03 C ATOM 366 O VAL A 24 11.646 -4.937 3.923 1.00 23.23 O ATOM 367 CB VAL A 24 12.396 -7.874 3.824 1.00 74.02 C ATOM 368 CG1 VAL A 24 11.246 -8.437 4.646 1.00 42.04 C ATOM 369 CG2 VAL A 24 13.259 -8.994 3.262 1.00 22.21 C ATOM 0 H VAL A 24 13.521 -5.775 2.263 1.00 22.14 H new ATOM 0 HA VAL A 24 11.202 -7.576 2.051 1.00 4.15 H new ATOM 0 HB VAL A 24 13.016 -7.263 4.480 1.00 74.02 H new ATOM 0 HG11 VAL A 24 11.642 -9.063 5.445 1.00 42.04 H new ATOM 0 HG12 VAL A 24 10.672 -7.617 5.078 1.00 42.04 H new ATOM 0 HG13 VAL A 24 10.598 -9.035 4.004 1.00 42.04 H new ATOM 0 HG21 VAL A 24 13.629 -9.613 4.079 1.00 22.21 H new ATOM 0 HG22 VAL A 24 12.665 -9.606 2.583 1.00 22.21 H new ATOM 0 HG23 VAL A 24 14.103 -8.566 2.720 1.00 22.21 H new ATOM 379 N VAL A 25 9.761 -5.840 3.089 1.00 41.41 N ATOM 380 CA VAL A 25 8.895 -4.791 3.613 1.00 4.14 C ATOM 381 C VAL A 25 7.964 -5.336 4.690 1.00 13.00 C ATOM 382 O VAL A 25 7.513 -6.479 4.617 1.00 41.21 O ATOM 383 CB VAL A 25 8.051 -4.148 2.497 1.00 5.24 C ATOM 384 CG1 VAL A 25 7.201 -3.017 3.055 1.00 75.23 C ATOM 385 CG2 VAL A 25 8.948 -3.649 1.374 1.00 14.12 C ATOM 0 H VAL A 25 9.273 -6.568 2.567 1.00 41.41 H new ATOM 0 HA VAL A 25 9.545 -4.032 4.048 1.00 4.14 H new ATOM 0 HB VAL A 25 7.381 -4.905 2.088 1.00 5.24 H new ATOM 0 HG11 VAL A 25 6.611 -2.575 2.252 1.00 75.23 H new ATOM 0 HG12 VAL A 25 6.533 -3.408 3.822 1.00 75.23 H new ATOM 0 HG13 VAL A 25 7.848 -2.256 3.491 1.00 75.23 H new ATOM 0 HG21 VAL A 25 8.336 -3.197 0.593 1.00 14.12 H new ATOM 0 HG22 VAL A 25 9.643 -2.906 1.766 1.00 14.12 H new ATOM 0 HG23 VAL A 25 9.509 -4.486 0.957 1.00 14.12 H new ATOM 395 N THR A 26 7.678 -4.509 5.691 1.00 33.03 N ATOM 396 CA THR A 26 6.800 -4.907 6.785 1.00 55.24 C ATOM 397 C THR A 26 5.825 -3.790 7.141 1.00 30.31 C ATOM 398 O THR A 26 5.969 -2.657 6.682 1.00 23.55 O ATOM 399 CB THR A 26 7.605 -5.291 8.041 1.00 42.45 C ATOM 400 OG1 THR A 26 8.827 -4.547 8.085 1.00 24.31 O ATOM 401 CG2 THR A 26 7.911 -6.781 8.051 1.00 23.42 C ATOM 0 H THR A 26 8.042 -3.559 5.767 1.00 33.03 H new ATOM 0 HA THR A 26 6.241 -5.778 6.441 1.00 55.24 H new ATOM 0 HB THR A 26 7.004 -5.053 8.919 1.00 42.45 H new ATOM 0 HG1 THR A 26 8.718 -3.709 7.589 1.00 24.31 H new ATOM 0 HG21 THR A 26 8.480 -7.030 8.947 1.00 23.42 H new ATOM 0 HG22 THR A 26 6.978 -7.344 8.046 1.00 23.42 H new ATOM 0 HG23 THR A 26 8.495 -7.038 7.167 1.00 23.42 H new ATOM 409 N ALA A 27 4.833 -4.117 7.964 1.00 3.31 N ATOM 410 CA ALA A 27 3.837 -3.140 8.385 1.00 42.20 C ATOM 411 C ALA A 27 4.490 -1.965 9.104 1.00 41.45 C ATOM 412 O ALA A 27 3.945 -0.861 9.131 1.00 12.11 O ATOM 413 CB ALA A 27 2.799 -3.799 9.281 1.00 14.31 C ATOM 0 H ALA A 27 4.698 -5.051 8.352 1.00 3.31 H new ATOM 0 HA ALA A 27 3.341 -2.756 7.494 1.00 42.20 H new ATOM 0 HB1 ALA A 27 2.061 -3.058 9.588 1.00 14.31 H new ATOM 0 HB2 ALA A 27 2.303 -4.601 8.734 1.00 14.31 H new ATOM 0 HB3 ALA A 27 3.289 -4.211 10.163 1.00 14.31 H new ATOM 419 N ASP A 28 5.660 -2.208 9.684 1.00 34.35 N ATOM 420 CA ASP A 28 6.387 -1.168 10.403 1.00 70.31 C ATOM 421 C ASP A 28 7.238 -0.339 9.446 1.00 63.34 C ATOM 422 O ASP A 28 7.631 0.782 9.762 1.00 2.44 O ATOM 423 CB ASP A 28 7.272 -1.791 11.485 1.00 13.43 C ATOM 424 CG ASP A 28 7.756 -0.769 12.494 1.00 5.44 C ATOM 425 OD1 ASP A 28 6.907 -0.138 13.157 1.00 32.51 O ATOM 426 OD2 ASP A 28 8.987 -0.599 12.622 1.00 41.15 O ATOM 0 H ASP A 28 6.125 -3.116 9.670 1.00 34.35 H new ATOM 0 HA ASP A 28 5.658 -0.509 10.875 1.00 70.31 H new ATOM 0 HB2 ASP A 28 6.714 -2.572 12.002 1.00 13.43 H new ATOM 0 HB3 ASP A 28 8.132 -2.270 11.016 1.00 13.43 H new ATOM 431 N SER A 29 7.520 -0.902 8.275 1.00 12.02 N ATOM 432 CA SER A 29 8.329 -0.217 7.273 1.00 73.44 C ATOM 433 C SER A 29 7.588 0.993 6.712 1.00 1.23 C ATOM 434 O SER A 29 6.401 0.917 6.401 1.00 55.15 O ATOM 435 CB SER A 29 8.694 -1.177 6.139 1.00 32.11 C ATOM 436 OG SER A 29 9.449 -2.274 6.623 1.00 1.24 O ATOM 0 H SER A 29 7.201 -1.830 7.997 1.00 12.02 H new ATOM 0 HA SER A 29 9.243 0.130 7.754 1.00 73.44 H new ATOM 0 HB2 SER A 29 7.785 -1.540 5.659 1.00 32.11 H new ATOM 0 HB3 SER A 29 9.266 -0.646 5.378 1.00 32.11 H new ATOM 0 HG SER A 29 9.932 -2.692 5.880 1.00 1.24 H new ATOM 442 N GLU A 30 8.301 2.108 6.585 1.00 34.23 N ATOM 443 CA GLU A 30 7.711 3.335 6.063 1.00 74.32 C ATOM 444 C GLU A 30 8.014 3.494 4.575 1.00 2.13 C ATOM 445 O GLU A 30 9.142 3.273 4.133 1.00 34.34 O ATOM 446 CB GLU A 30 8.236 4.549 6.834 1.00 54.04 C ATOM 447 CG GLU A 30 8.017 4.457 8.335 1.00 44.44 C ATOM 448 CD GLU A 30 8.854 5.458 9.108 1.00 72.05 C ATOM 449 OE1 GLU A 30 9.376 6.404 8.482 1.00 53.05 O ATOM 450 OE2 GLU A 30 8.984 5.296 10.339 1.00 25.10 O ATOM 0 H GLU A 30 9.286 2.187 6.836 1.00 34.23 H new ATOM 0 HA GLU A 30 6.631 3.271 6.192 1.00 74.32 H new ATOM 0 HB2 GLU A 30 9.302 4.661 6.637 1.00 54.04 H new ATOM 0 HB3 GLU A 30 7.746 5.447 6.458 1.00 54.04 H new ATOM 0 HG2 GLU A 30 6.963 4.623 8.556 1.00 44.44 H new ATOM 0 HG3 GLU A 30 8.258 3.449 8.673 1.00 44.44 H new ATOM 457 N PHE A 31 6.999 3.877 3.808 1.00 21.22 N ATOM 458 CA PHE A 31 7.156 4.063 2.370 1.00 12.02 C ATOM 459 C PHE A 31 8.335 4.982 2.066 1.00 13.15 C ATOM 460 O PHE A 31 9.043 4.795 1.077 1.00 30.34 O ATOM 461 CB PHE A 31 5.874 4.643 1.768 1.00 43.32 C ATOM 462 CG PHE A 31 4.699 3.712 1.850 1.00 74.22 C ATOM 463 CD1 PHE A 31 4.626 2.591 1.038 1.00 3.43 C ATOM 464 CD2 PHE A 31 3.664 3.957 2.739 1.00 2.43 C ATOM 465 CE1 PHE A 31 3.546 1.732 1.112 1.00 45.41 C ATOM 466 CE2 PHE A 31 2.581 3.102 2.817 1.00 2.43 C ATOM 467 CZ PHE A 31 2.522 1.989 2.002 1.00 32.11 C ATOM 0 H PHE A 31 6.059 4.065 4.158 1.00 21.22 H new ATOM 0 HA PHE A 31 7.353 3.089 1.921 1.00 12.02 H new ATOM 0 HB2 PHE A 31 5.628 5.572 2.283 1.00 43.32 H new ATOM 0 HB3 PHE A 31 6.055 4.896 0.723 1.00 43.32 H new ATOM 0 HD1 PHE A 31 5.423 2.386 0.339 1.00 3.43 H new ATOM 0 HD2 PHE A 31 3.704 4.826 3.378 1.00 2.43 H new ATOM 0 HE1 PHE A 31 3.503 0.861 0.475 1.00 45.41 H new ATOM 0 HE2 PHE A 31 1.782 3.304 3.515 1.00 2.43 H new ATOM 0 HZ PHE A 31 1.676 1.320 2.061 1.00 32.11 H new ATOM 477 N SER A 32 8.539 5.978 2.924 1.00 73.21 N ATOM 478 CA SER A 32 9.629 6.929 2.746 1.00 35.20 C ATOM 479 C SER A 32 10.972 6.283 3.069 1.00 1.05 C ATOM 480 O SER A 32 11.991 6.601 2.455 1.00 21.42 O ATOM 481 CB SER A 32 9.413 8.156 3.634 1.00 11.10 C ATOM 482 OG SER A 32 10.157 9.266 3.160 1.00 50.00 O ATOM 0 H SER A 32 7.963 6.146 3.749 1.00 73.21 H new ATOM 0 HA SER A 32 9.639 7.242 1.702 1.00 35.20 H new ATOM 0 HB2 SER A 32 8.353 8.409 3.659 1.00 11.10 H new ATOM 0 HB3 SER A 32 9.710 7.925 4.657 1.00 11.10 H new ATOM 0 HG SER A 32 10.001 10.038 3.743 1.00 50.00 H new ATOM 488 N LYS A 33 10.966 5.374 4.038 1.00 42.10 N ATOM 489 CA LYS A 33 12.182 4.680 4.444 1.00 24.14 C ATOM 490 C LYS A 33 12.556 3.599 3.435 1.00 53.33 C ATOM 491 O LYS A 33 13.735 3.318 3.219 1.00 20.31 O ATOM 492 CB LYS A 33 12.000 4.056 5.830 1.00 3.11 C ATOM 493 CG LYS A 33 12.388 4.983 6.970 1.00 51.23 C ATOM 494 CD LYS A 33 12.504 4.231 8.285 1.00 72.14 C ATOM 495 CE LYS A 33 13.366 4.986 9.284 1.00 2.41 C ATOM 496 NZ LYS A 33 13.857 4.100 10.375 1.00 23.42 N ATOM 0 H LYS A 33 10.132 5.101 4.557 1.00 42.10 H new ATOM 0 HA LYS A 33 12.990 5.411 4.484 1.00 24.14 H new ATOM 0 HB2 LYS A 33 10.958 3.760 5.952 1.00 3.11 H new ATOM 0 HB3 LYS A 33 12.599 3.147 5.892 1.00 3.11 H new ATOM 0 HG2 LYS A 33 13.338 5.465 6.741 1.00 51.23 H new ATOM 0 HG3 LYS A 33 11.644 5.774 7.066 1.00 51.23 H new ATOM 0 HD2 LYS A 33 11.510 4.075 8.705 1.00 72.14 H new ATOM 0 HD3 LYS A 33 12.932 3.245 8.105 1.00 72.14 H new ATOM 0 HE2 LYS A 33 14.216 5.430 8.767 1.00 2.41 H new ATOM 0 HE3 LYS A 33 12.790 5.806 9.714 1.00 2.41 H new ATOM 0 HZ1 LYS A 33 14.441 4.653 11.035 1.00 23.42 H new ATOM 0 HZ2 LYS A 33 13.046 3.696 10.885 1.00 23.42 H new ATOM 0 HZ3 LYS A 33 14.428 3.332 9.968 1.00 23.42 H new ATOM 510 N LEU A 34 11.545 2.998 2.817 1.00 13.43 N ATOM 511 CA LEU A 34 11.767 1.949 1.828 1.00 11.21 C ATOM 512 C LEU A 34 12.432 2.513 0.576 1.00 54.12 C ATOM 513 O LEU A 34 13.047 1.780 -0.197 1.00 61.30 O ATOM 514 CB LEU A 34 10.442 1.281 1.458 1.00 74.32 C ATOM 515 CG LEU A 34 9.770 0.465 2.565 1.00 54.52 C ATOM 516 CD1 LEU A 34 8.423 -0.062 2.096 1.00 61.25 C ATOM 517 CD2 LEU A 34 10.670 -0.680 3.004 1.00 52.02 C ATOM 0 H LEU A 34 10.563 3.219 2.983 1.00 13.43 H new ATOM 0 HA LEU A 34 12.432 1.205 2.267 1.00 11.21 H new ATOM 0 HB2 LEU A 34 9.747 2.054 1.131 1.00 74.32 H new ATOM 0 HB3 LEU A 34 10.614 0.626 0.604 1.00 74.32 H new ATOM 0 HG LEU A 34 9.603 1.118 3.422 1.00 54.52 H new ATOM 0 HD11 LEU A 34 7.960 -0.640 2.896 1.00 61.25 H new ATOM 0 HD12 LEU A 34 7.777 0.775 1.832 1.00 61.25 H new ATOM 0 HD13 LEU A 34 8.566 -0.700 1.224 1.00 61.25 H new ATOM 0 HD21 LEU A 34 10.176 -1.249 3.791 1.00 52.02 H new ATOM 0 HD22 LEU A 34 10.869 -1.333 2.154 1.00 52.02 H new ATOM 0 HD23 LEU A 34 11.611 -0.279 3.381 1.00 52.02 H new ATOM 529 N GLY A 35 12.304 3.823 0.383 1.00 51.34 N ATOM 530 CA GLY A 35 12.899 4.464 -0.776 1.00 73.42 C ATOM 531 C GLY A 35 11.867 4.855 -1.815 1.00 11.13 C ATOM 532 O GLY A 35 12.196 5.045 -2.985 1.00 41.40 O ATOM 0 H GLY A 35 11.799 4.451 1.008 1.00 51.34 H new ATOM 0 HA2 GLY A 35 13.443 5.353 -0.457 1.00 73.42 H new ATOM 0 HA3 GLY A 35 13.627 3.789 -1.227 1.00 73.42 H new ATOM 536 N ALA A 36 10.614 4.974 -1.387 1.00 62.05 N ATOM 537 CA ALA A 36 9.531 5.346 -2.290 1.00 22.54 C ATOM 538 C ALA A 36 9.329 6.857 -2.311 1.00 0.13 C ATOM 539 O ALA A 36 8.869 7.446 -1.331 1.00 40.03 O ATOM 540 CB ALA A 36 8.243 4.645 -1.884 1.00 40.14 C ATOM 0 H ALA A 36 10.324 4.818 -0.422 1.00 62.05 H new ATOM 0 HA ALA A 36 9.804 5.028 -3.296 1.00 22.54 H new ATOM 0 HB1 ALA A 36 7.442 4.931 -2.566 1.00 40.14 H new ATOM 0 HB2 ALA A 36 8.387 3.565 -1.927 1.00 40.14 H new ATOM 0 HB3 ALA A 36 7.975 4.935 -0.868 1.00 40.14 H new ATOM 546 N ASP A 37 9.676 7.480 -3.431 1.00 72.05 N ATOM 547 CA ASP A 37 9.532 8.924 -3.580 1.00 62.15 C ATOM 548 C ASP A 37 8.098 9.292 -3.947 1.00 61.44 C ATOM 549 O ASP A 37 7.212 8.437 -3.967 1.00 4.13 O ATOM 550 CB ASP A 37 10.494 9.446 -4.648 1.00 4.55 C ATOM 551 CG ASP A 37 11.833 8.735 -4.618 1.00 32.02 C ATOM 552 OD1 ASP A 37 12.362 8.511 -3.508 1.00 71.33 O ATOM 553 OD2 ASP A 37 12.352 8.402 -5.704 1.00 33.14 O ATOM 0 H ASP A 37 10.059 7.008 -4.250 1.00 72.05 H new ATOM 0 HA ASP A 37 9.774 9.389 -2.624 1.00 62.15 H new ATOM 0 HB2 ASP A 37 10.042 9.322 -5.632 1.00 4.55 H new ATOM 0 HB3 ASP A 37 10.650 10.515 -4.501 1.00 4.55 H new ATOM 558 N SER A 38 7.876 10.570 -4.237 1.00 72.21 N ATOM 559 CA SER A 38 6.549 11.053 -4.598 1.00 74.34 C ATOM 560 C SER A 38 6.054 10.379 -5.875 1.00 54.21 C ATOM 561 O SER A 38 4.856 10.149 -6.046 1.00 42.13 O ATOM 562 CB SER A 38 6.567 12.572 -4.783 1.00 64.24 C ATOM 563 OG SER A 38 6.850 12.918 -6.127 1.00 42.12 O ATOM 0 H SER A 38 8.599 11.290 -4.229 1.00 72.21 H new ATOM 0 HA SER A 38 5.866 10.802 -3.787 1.00 74.34 H new ATOM 0 HB2 SER A 38 5.603 12.988 -4.492 1.00 64.24 H new ATOM 0 HB3 SER A 38 7.316 13.013 -4.125 1.00 64.24 H new ATOM 0 HG SER A 38 6.854 13.894 -6.220 1.00 42.12 H new ATOM 569 N LEU A 39 6.985 10.066 -6.769 1.00 12.41 N ATOM 570 CA LEU A 39 6.647 9.419 -8.032 1.00 54.12 C ATOM 571 C LEU A 39 6.342 7.940 -7.821 1.00 41.01 C ATOM 572 O LEU A 39 5.602 7.331 -8.595 1.00 12.14 O ATOM 573 CB LEU A 39 7.793 9.578 -9.032 1.00 53.34 C ATOM 574 CG LEU A 39 8.494 10.936 -9.041 1.00 54.50 C ATOM 575 CD1 LEU A 39 9.598 10.962 -10.086 1.00 63.23 C ATOM 576 CD2 LEU A 39 7.491 12.053 -9.296 1.00 73.42 C ATOM 0 H LEU A 39 7.980 10.250 -6.643 1.00 12.41 H new ATOM 0 HA LEU A 39 5.755 9.901 -8.432 1.00 54.12 H new ATOM 0 HB2 LEU A 39 8.537 8.809 -8.826 1.00 53.34 H new ATOM 0 HB3 LEU A 39 7.405 9.386 -10.032 1.00 53.34 H new ATOM 0 HG LEU A 39 8.945 11.095 -8.062 1.00 54.50 H new ATOM 0 HD11 LEU A 39 10.085 11.937 -10.077 1.00 63.23 H new ATOM 0 HD12 LEU A 39 10.331 10.188 -9.860 1.00 63.23 H new ATOM 0 HD13 LEU A 39 9.170 10.779 -11.072 1.00 63.23 H new ATOM 0 HD21 LEU A 39 8.008 13.013 -9.299 1.00 73.42 H new ATOM 0 HD22 LEU A 39 7.010 11.897 -10.262 1.00 73.42 H new ATOM 0 HD23 LEU A 39 6.736 12.050 -8.510 1.00 73.42 H new ATOM 588 N ASP A 40 6.915 7.367 -6.768 1.00 11.33 N ATOM 589 CA ASP A 40 6.702 5.959 -6.453 1.00 2.23 C ATOM 590 C ASP A 40 5.386 5.763 -5.706 1.00 44.40 C ATOM 591 O ASP A 40 4.551 4.948 -6.100 1.00 50.24 O ATOM 592 CB ASP A 40 7.863 5.420 -5.616 1.00 0.31 C ATOM 593 CG ASP A 40 9.065 5.051 -6.464 1.00 32.04 C ATOM 594 OD1 ASP A 40 8.961 4.090 -7.254 1.00 14.32 O ATOM 595 OD2 ASP A 40 10.109 5.724 -6.337 1.00 1.45 O ATOM 0 H ASP A 40 7.531 7.856 -6.118 1.00 11.33 H new ATOM 0 HA ASP A 40 6.653 5.405 -7.391 1.00 2.23 H new ATOM 0 HB2 ASP A 40 8.157 6.170 -4.881 1.00 0.31 H new ATOM 0 HB3 ASP A 40 7.531 4.543 -5.061 1.00 0.31 H new ATOM 600 N THR A 41 5.208 6.514 -4.623 1.00 42.43 N ATOM 601 CA THR A 41 3.996 6.422 -3.820 1.00 31.43 C ATOM 602 C THR A 41 2.750 6.469 -4.696 1.00 42.34 C ATOM 603 O THR A 41 1.874 5.610 -4.595 1.00 32.41 O ATOM 604 CB THR A 41 3.923 7.556 -2.781 1.00 54.22 C ATOM 605 OG1 THR A 41 5.155 7.638 -2.057 1.00 42.43 O ATOM 606 CG2 THR A 41 2.774 7.328 -1.810 1.00 72.23 C ATOM 0 H THR A 41 5.889 7.193 -4.282 1.00 42.43 H new ATOM 0 HA THR A 41 4.034 5.465 -3.300 1.00 31.43 H new ATOM 0 HB THR A 41 3.750 8.493 -3.311 1.00 54.22 H new ATOM 0 HG1 THR A 41 5.839 8.054 -2.622 1.00 42.43 H new ATOM 0 HG21 THR A 41 2.743 8.142 -1.086 1.00 72.23 H new ATOM 0 HG22 THR A 41 1.834 7.296 -2.360 1.00 72.23 H new ATOM 0 HG23 THR A 41 2.921 6.383 -1.287 1.00 72.23 H new ATOM 614 N VAL A 42 2.677 7.477 -5.559 1.00 0.34 N ATOM 615 CA VAL A 42 1.538 7.637 -6.456 1.00 22.52 C ATOM 616 C VAL A 42 1.271 6.354 -7.236 1.00 41.14 C ATOM 617 O VAL A 42 0.122 6.017 -7.519 1.00 34.13 O ATOM 618 CB VAL A 42 1.762 8.792 -7.449 1.00 63.52 C ATOM 619 CG1 VAL A 42 3.027 8.559 -8.263 1.00 20.24 C ATOM 620 CG2 VAL A 42 0.554 8.953 -8.359 1.00 43.41 C ATOM 0 H VAL A 42 3.394 8.196 -5.656 1.00 0.34 H new ATOM 0 HA VAL A 42 0.674 7.868 -5.833 1.00 22.52 H new ATOM 0 HB VAL A 42 1.888 9.715 -6.884 1.00 63.52 H new ATOM 0 HG11 VAL A 42 3.169 9.385 -8.959 1.00 20.24 H new ATOM 0 HG12 VAL A 42 3.885 8.498 -7.593 1.00 20.24 H new ATOM 0 HG13 VAL A 42 2.935 7.627 -8.820 1.00 20.24 H new ATOM 0 HG21 VAL A 42 0.729 9.774 -9.055 1.00 43.41 H new ATOM 0 HG22 VAL A 42 0.394 8.031 -8.918 1.00 43.41 H new ATOM 0 HG23 VAL A 42 -0.329 9.170 -7.757 1.00 43.41 H new ATOM 630 N GLU A 43 2.340 5.644 -7.581 1.00 24.44 N ATOM 631 CA GLU A 43 2.220 4.398 -8.329 1.00 14.23 C ATOM 632 C GLU A 43 1.712 3.272 -7.434 1.00 64.30 C ATOM 633 O GLU A 43 1.054 2.343 -7.901 1.00 63.51 O ATOM 634 CB GLU A 43 3.569 4.011 -8.939 1.00 5.25 C ATOM 635 CG GLU A 43 3.691 4.351 -10.414 1.00 10.12 C ATOM 636 CD GLU A 43 3.467 5.825 -10.694 1.00 5.44 C ATOM 637 OE1 GLU A 43 2.294 6.253 -10.713 1.00 50.12 O ATOM 638 OE2 GLU A 43 4.464 6.549 -10.893 1.00 3.41 O ATOM 0 H GLU A 43 3.298 5.910 -7.355 1.00 24.44 H new ATOM 0 HA GLU A 43 1.498 4.554 -9.131 1.00 14.23 H new ATOM 0 HB2 GLU A 43 4.364 4.517 -8.391 1.00 5.25 H new ATOM 0 HB3 GLU A 43 3.723 2.940 -8.808 1.00 5.25 H new ATOM 0 HG2 GLU A 43 4.681 4.064 -10.768 1.00 10.12 H new ATOM 0 HG3 GLU A 43 2.968 3.764 -10.979 1.00 10.12 H new ATOM 645 N ILE A 44 2.024 3.362 -6.145 1.00 3.32 N ATOM 646 CA ILE A 44 1.599 2.353 -5.184 1.00 65.42 C ATOM 647 C ILE A 44 0.079 2.283 -5.096 1.00 32.42 C ATOM 648 O ILE A 44 -0.501 1.199 -5.023 1.00 30.42 O ATOM 649 CB ILE A 44 2.172 2.633 -3.782 1.00 41.41 C ATOM 650 CG1 ILE A 44 3.690 2.810 -3.853 1.00 54.44 C ATOM 651 CG2 ILE A 44 1.810 1.506 -2.826 1.00 71.44 C ATOM 652 CD1 ILE A 44 4.386 1.741 -4.668 1.00 12.23 C ATOM 0 H ILE A 44 2.570 4.124 -5.743 1.00 3.32 H new ATOM 0 HA ILE A 44 1.984 1.397 -5.540 1.00 65.42 H new ATOM 0 HB ILE A 44 1.734 3.557 -3.406 1.00 41.41 H new ATOM 0 HG12 ILE A 44 3.914 3.786 -4.283 1.00 54.44 H new ATOM 0 HG13 ILE A 44 4.096 2.806 -2.841 1.00 54.44 H new ATOM 0 HG21 ILE A 44 2.222 1.719 -1.840 1.00 71.44 H new ATOM 0 HG22 ILE A 44 0.725 1.423 -2.756 1.00 71.44 H new ATOM 0 HG23 ILE A 44 2.223 0.568 -3.197 1.00 71.44 H new ATOM 0 HD11 ILE A 44 5.459 1.930 -4.675 1.00 12.23 H new ATOM 0 HD12 ILE A 44 4.192 0.763 -4.227 1.00 12.23 H new ATOM 0 HD13 ILE A 44 4.008 1.759 -5.690 1.00 12.23 H new ATOM 664 N VAL A 45 -0.563 3.447 -5.104 1.00 74.12 N ATOM 665 CA VAL A 45 -2.017 3.519 -5.027 1.00 73.04 C ATOM 666 C VAL A 45 -2.658 3.105 -6.347 1.00 35.40 C ATOM 667 O VAL A 45 -3.732 2.503 -6.365 1.00 3.54 O ATOM 668 CB VAL A 45 -2.490 4.939 -4.662 1.00 41.13 C ATOM 669 CG1 VAL A 45 -3.985 4.947 -4.377 1.00 4.14 C ATOM 670 CG2 VAL A 45 -1.708 5.471 -3.472 1.00 33.24 C ATOM 0 H VAL A 45 -0.099 4.353 -5.163 1.00 74.12 H new ATOM 0 HA VAL A 45 -2.327 2.828 -4.243 1.00 73.04 H new ATOM 0 HB VAL A 45 -2.304 5.596 -5.512 1.00 41.13 H new ATOM 0 HG11 VAL A 45 -4.301 5.958 -4.121 1.00 4.14 H new ATOM 0 HG12 VAL A 45 -4.526 4.611 -5.262 1.00 4.14 H new ATOM 0 HG13 VAL A 45 -4.200 4.278 -3.544 1.00 4.14 H new ATOM 0 HG21 VAL A 45 -2.055 6.475 -3.228 1.00 33.24 H new ATOM 0 HG22 VAL A 45 -1.860 4.816 -2.614 1.00 33.24 H new ATOM 0 HG23 VAL A 45 -0.647 5.504 -3.719 1.00 33.24 H new ATOM 680 N MET A 46 -1.993 3.430 -7.450 1.00 3.35 N ATOM 681 CA MET A 46 -2.497 3.091 -8.775 1.00 42.12 C ATOM 682 C MET A 46 -2.485 1.580 -8.990 1.00 14.13 C ATOM 683 O MET A 46 -3.469 1.003 -9.450 1.00 74.44 O ATOM 684 CB MET A 46 -1.658 3.777 -9.856 1.00 25.15 C ATOM 685 CG MET A 46 -2.061 3.397 -11.270 1.00 65.34 C ATOM 686 SD MET A 46 -1.874 4.759 -12.436 1.00 1.45 S ATOM 687 CE MET A 46 -0.266 5.390 -11.964 1.00 44.32 C ATOM 0 H MET A 46 -1.103 3.928 -7.452 1.00 3.35 H new ATOM 0 HA MET A 46 -3.526 3.444 -8.846 1.00 42.12 H new ATOM 0 HB2 MET A 46 -1.744 4.857 -9.740 1.00 25.15 H new ATOM 0 HB3 MET A 46 -0.609 3.523 -9.705 1.00 25.15 H new ATOM 0 HG2 MET A 46 -1.455 2.554 -11.602 1.00 65.34 H new ATOM 0 HG3 MET A 46 -3.099 3.063 -11.271 1.00 65.34 H new ATOM 0 HE1 MET A 46 0.187 5.903 -12.813 1.00 44.32 H new ATOM 0 HE2 MET A 46 -0.378 6.089 -11.135 1.00 44.32 H new ATOM 0 HE3 MET A 46 0.374 4.563 -11.656 1.00 44.32 H new ATOM 697 N ASN A 47 -1.367 0.948 -8.654 1.00 64.41 N ATOM 698 CA ASN A 47 -1.229 -0.496 -8.810 1.00 2.12 C ATOM 699 C ASN A 47 -2.138 -1.239 -7.836 1.00 52.43 C ATOM 700 O ASN A 47 -2.678 -2.299 -8.159 1.00 3.44 O ATOM 701 CB ASN A 47 0.226 -0.918 -8.589 1.00 11.51 C ATOM 702 CG ASN A 47 1.057 -0.816 -9.854 1.00 73.31 C ATOM 703 OD1 ASN A 47 1.762 -1.755 -10.223 1.00 3.44 O ATOM 704 ND2 ASN A 47 0.975 0.328 -10.524 1.00 33.11 N ATOM 0 H ASN A 47 -0.543 1.412 -8.272 1.00 64.41 H new ATOM 0 HA ASN A 47 -1.526 -0.755 -9.826 1.00 2.12 H new ATOM 0 HB2 ASN A 47 0.669 -0.292 -7.815 1.00 11.51 H new ATOM 0 HB3 ASN A 47 0.252 -1.944 -8.222 1.00 11.51 H new ATOM 0 HD21 ASN A 47 1.510 0.455 -11.383 1.00 33.11 H new ATOM 0 HD22 ASN A 47 0.377 1.079 -10.180 1.00 33.11 H new ATOM 711 N LEU A 48 -2.305 -0.676 -6.646 1.00 35.31 N ATOM 712 CA LEU A 48 -3.152 -1.284 -5.624 1.00 23.24 C ATOM 713 C LEU A 48 -4.627 -1.142 -5.983 1.00 52.23 C ATOM 714 O LEU A 48 -5.386 -2.108 -5.921 1.00 73.13 O ATOM 715 CB LEU A 48 -2.882 -0.641 -4.262 1.00 73.24 C ATOM 716 CG LEU A 48 -1.587 -1.060 -3.566 1.00 1.42 C ATOM 717 CD1 LEU A 48 -1.261 -0.107 -2.428 1.00 10.22 C ATOM 718 CD2 LEU A 48 -1.695 -2.489 -3.054 1.00 3.11 C ATOM 0 H LEU A 48 -1.866 0.200 -6.363 1.00 35.31 H new ATOM 0 HA LEU A 48 -2.911 -2.346 -5.572 1.00 23.24 H new ATOM 0 HB2 LEU A 48 -2.868 0.441 -4.390 1.00 73.24 H new ATOM 0 HB3 LEU A 48 -3.717 -0.873 -3.601 1.00 73.24 H new ATOM 0 HG LEU A 48 -0.776 -1.016 -4.293 1.00 1.42 H new ATOM 0 HD11 LEU A 48 -0.336 -0.421 -1.944 1.00 10.22 H new ATOM 0 HD12 LEU A 48 -1.140 0.902 -2.822 1.00 10.22 H new ATOM 0 HD13 LEU A 48 -2.073 -0.118 -1.701 1.00 10.22 H new ATOM 0 HD21 LEU A 48 -0.764 -2.770 -2.561 1.00 3.11 H new ATOM 0 HD22 LEU A 48 -2.518 -2.559 -2.342 1.00 3.11 H new ATOM 0 HD23 LEU A 48 -1.881 -3.162 -3.891 1.00 3.11 H new ATOM 730 N GLU A 49 -5.025 0.069 -6.362 1.00 35.24 N ATOM 731 CA GLU A 49 -6.409 0.336 -6.733 1.00 34.44 C ATOM 732 C GLU A 49 -6.870 -0.613 -7.835 1.00 73.51 C ATOM 733 O GLU A 49 -8.046 -0.967 -7.912 1.00 71.24 O ATOM 734 CB GLU A 49 -6.567 1.786 -7.195 1.00 23.13 C ATOM 735 CG GLU A 49 -6.601 2.788 -6.053 1.00 61.14 C ATOM 736 CD GLU A 49 -6.433 4.219 -6.528 1.00 64.51 C ATOM 737 OE1 GLU A 49 -5.308 4.581 -6.930 1.00 5.40 O ATOM 738 OE2 GLU A 49 -7.426 4.975 -6.496 1.00 23.11 O ATOM 0 H GLU A 49 -4.409 0.880 -6.420 1.00 35.24 H new ATOM 0 HA GLU A 49 -7.031 0.173 -5.853 1.00 34.44 H new ATOM 0 HB2 GLU A 49 -5.744 2.037 -7.863 1.00 23.13 H new ATOM 0 HB3 GLU A 49 -7.486 1.876 -7.774 1.00 23.13 H new ATOM 0 HG2 GLU A 49 -7.547 2.695 -5.520 1.00 61.14 H new ATOM 0 HG3 GLU A 49 -5.810 2.550 -5.342 1.00 61.14 H new ATOM 745 N GLU A 50 -5.934 -1.022 -8.687 1.00 13.43 N ATOM 746 CA GLU A 50 -6.244 -1.927 -9.785 1.00 61.34 C ATOM 747 C GLU A 50 -6.440 -3.353 -9.277 1.00 35.24 C ATOM 748 O GLU A 50 -7.240 -4.113 -9.822 1.00 2.40 O ATOM 749 CB GLU A 50 -5.128 -1.898 -10.832 1.00 10.50 C ATOM 750 CG GLU A 50 -5.521 -2.524 -12.159 1.00 63.41 C ATOM 751 CD GLU A 50 -6.266 -1.560 -13.062 1.00 65.23 C ATOM 752 OE1 GLU A 50 -6.345 -0.363 -12.715 1.00 61.02 O ATOM 753 OE2 GLU A 50 -6.769 -2.003 -14.116 1.00 64.10 O ATOM 0 H GLU A 50 -4.955 -0.740 -8.637 1.00 13.43 H new ATOM 0 HA GLU A 50 -7.173 -1.591 -10.245 1.00 61.34 H new ATOM 0 HB2 GLU A 50 -4.828 -0.864 -11.002 1.00 10.50 H new ATOM 0 HB3 GLU A 50 -4.257 -2.421 -10.437 1.00 10.50 H new ATOM 0 HG2 GLU A 50 -4.625 -2.875 -12.670 1.00 63.41 H new ATOM 0 HG3 GLU A 50 -6.145 -3.398 -11.973 1.00 63.41 H new ATOM 760 N GLU A 51 -5.705 -3.706 -8.227 1.00 64.12 N ATOM 761 CA GLU A 51 -5.796 -5.041 -7.645 1.00 53.25 C ATOM 762 C GLU A 51 -7.042 -5.169 -6.773 1.00 2.24 C ATOM 763 O GLU A 51 -7.835 -6.096 -6.936 1.00 52.10 O ATOM 764 CB GLU A 51 -4.546 -5.347 -6.818 1.00 62.55 C ATOM 765 CG GLU A 51 -4.496 -6.775 -6.297 1.00 55.31 C ATOM 766 CD GLU A 51 -3.891 -7.740 -7.299 1.00 33.43 C ATOM 767 OE1 GLU A 51 -2.980 -7.327 -8.046 1.00 15.23 O ATOM 768 OE2 GLU A 51 -4.329 -8.909 -7.333 1.00 22.11 O ATOM 0 H GLU A 51 -5.041 -3.087 -7.762 1.00 64.12 H new ATOM 0 HA GLU A 51 -5.868 -5.762 -8.460 1.00 53.25 H new ATOM 0 HB2 GLU A 51 -3.662 -5.160 -7.428 1.00 62.55 H new ATOM 0 HB3 GLU A 51 -4.502 -4.659 -5.974 1.00 62.55 H new ATOM 0 HG2 GLU A 51 -3.914 -6.802 -5.376 1.00 55.31 H new ATOM 0 HG3 GLU A 51 -5.505 -7.102 -6.047 1.00 55.31 H new ATOM 775 N PHE A 52 -7.205 -4.232 -5.845 1.00 70.10 N ATOM 776 CA PHE A 52 -8.353 -4.240 -4.945 1.00 4.15 C ATOM 777 C PHE A 52 -9.567 -3.596 -5.605 1.00 13.31 C ATOM 778 O PHE A 52 -10.642 -3.514 -5.011 1.00 24.33 O ATOM 779 CB PHE A 52 -8.014 -3.504 -3.646 1.00 11.53 C ATOM 780 CG PHE A 52 -6.934 -4.170 -2.843 1.00 32.20 C ATOM 781 CD1 PHE A 52 -5.598 -3.946 -3.133 1.00 41.33 C ATOM 782 CD2 PHE A 52 -7.255 -5.021 -1.797 1.00 1.41 C ATOM 783 CE1 PHE A 52 -4.602 -4.558 -2.396 1.00 64.21 C ATOM 784 CE2 PHE A 52 -6.263 -5.635 -1.057 1.00 32.41 C ATOM 785 CZ PHE A 52 -4.936 -5.404 -1.355 1.00 41.51 C ATOM 0 H PHE A 52 -6.557 -3.458 -5.696 1.00 70.10 H new ATOM 0 HA PHE A 52 -8.595 -5.278 -4.715 1.00 4.15 H new ATOM 0 HB2 PHE A 52 -7.703 -2.487 -3.885 1.00 11.53 H new ATOM 0 HB3 PHE A 52 -8.914 -3.427 -3.036 1.00 11.53 H new ATOM 0 HD1 PHE A 52 -5.332 -3.285 -3.945 1.00 41.33 H new ATOM 0 HD2 PHE A 52 -8.292 -5.206 -1.558 1.00 1.41 H new ATOM 0 HE1 PHE A 52 -3.564 -4.376 -2.633 1.00 64.21 H new ATOM 0 HE2 PHE A 52 -6.527 -6.296 -0.245 1.00 32.41 H new ATOM 0 HZ PHE A 52 -4.160 -5.883 -0.776 1.00 41.51 H new ATOM 795 N GLY A 53 -9.388 -3.139 -6.841 1.00 55.31 N ATOM 796 CA GLY A 53 -10.477 -2.507 -7.564 1.00 32.25 C ATOM 797 C GLY A 53 -11.130 -1.393 -6.770 1.00 1.21 C ATOM 798 O GLY A 53 -12.312 -1.101 -6.954 1.00 53.41 O ATOM 0 H GLY A 53 -8.508 -3.195 -7.355 1.00 55.31 H new ATOM 0 HA2 GLY A 53 -10.100 -2.106 -8.505 1.00 32.25 H new ATOM 0 HA3 GLY A 53 -11.226 -3.258 -7.815 1.00 32.25 H new ATOM 802 N ILE A 54 -10.360 -0.769 -5.884 1.00 44.25 N ATOM 803 CA ILE A 54 -10.871 0.319 -5.060 1.00 5.20 C ATOM 804 C ILE A 54 -10.688 1.665 -5.753 1.00 73.54 C ATOM 805 O ILE A 54 -10.205 1.733 -6.882 1.00 73.10 O ATOM 806 CB ILE A 54 -10.172 0.361 -3.689 1.00 23.23 C ATOM 807 CG1 ILE A 54 -8.654 0.446 -3.867 1.00 60.51 C ATOM 808 CG2 ILE A 54 -10.546 -0.861 -2.865 1.00 71.22 C ATOM 809 CD1 ILE A 54 -7.925 0.908 -2.625 1.00 3.01 C ATOM 0 H ILE A 54 -9.380 -0.999 -5.719 1.00 44.25 H new ATOM 0 HA ILE A 54 -11.934 0.131 -4.911 1.00 5.20 H new ATOM 0 HB ILE A 54 -10.507 1.251 -3.156 1.00 23.23 H new ATOM 0 HG12 ILE A 54 -8.275 -0.534 -4.158 1.00 60.51 H new ATOM 0 HG13 ILE A 54 -8.430 1.130 -4.686 1.00 60.51 H new ATOM 0 HG21 ILE A 54 -10.044 -0.816 -1.899 1.00 71.22 H new ATOM 0 HG22 ILE A 54 -11.625 -0.881 -2.712 1.00 71.22 H new ATOM 0 HG23 ILE A 54 -10.238 -1.764 -3.392 1.00 71.22 H new ATOM 0 HD11 ILE A 54 -6.854 0.945 -2.824 1.00 3.01 H new ATOM 0 HD12 ILE A 54 -8.276 1.901 -2.345 1.00 3.01 H new ATOM 0 HD13 ILE A 54 -8.119 0.212 -1.809 1.00 3.01 H new ATOM 821 N ASN A 55 -11.077 2.735 -5.067 1.00 34.54 N ATOM 822 CA ASN A 55 -10.957 4.080 -5.615 1.00 12.53 C ATOM 823 C ASN A 55 -10.575 5.079 -4.527 1.00 45.11 C ATOM 824 O ASN A 55 -11.368 5.373 -3.633 1.00 23.34 O ATOM 825 CB ASN A 55 -12.270 4.505 -6.274 1.00 71.23 C ATOM 826 CG ASN A 55 -12.979 3.347 -6.952 1.00 4.34 C ATOM 827 OD1 ASN A 55 -12.831 3.133 -8.155 1.00 11.43 O ATOM 828 ND2 ASN A 55 -13.752 2.593 -6.179 1.00 51.42 N ATOM 0 H ASN A 55 -11.478 2.696 -4.130 1.00 34.54 H new ATOM 0 HA ASN A 55 -10.168 4.069 -6.367 1.00 12.53 H new ATOM 0 HB2 ASN A 55 -12.928 4.939 -5.521 1.00 71.23 H new ATOM 0 HB3 ASN A 55 -12.069 5.285 -7.009 1.00 71.23 H new ATOM 0 HD21 ASN A 55 -14.253 1.799 -6.578 1.00 51.42 H new ATOM 0 HD22 ASN A 55 -13.845 2.808 -5.186 1.00 51.42 H new ATOM 835 N VAL A 56 -9.354 5.599 -4.610 1.00 73.11 N ATOM 836 CA VAL A 56 -8.866 6.566 -3.634 1.00 74.54 C ATOM 837 C VAL A 56 -7.907 7.560 -4.278 1.00 52.52 C ATOM 838 O VAL A 56 -7.172 7.219 -5.204 1.00 62.21 O ATOM 839 CB VAL A 56 -8.154 5.868 -2.460 1.00 70.42 C ATOM 840 CG1 VAL A 56 -6.938 5.099 -2.955 1.00 21.45 C ATOM 841 CG2 VAL A 56 -7.758 6.884 -1.399 1.00 31.50 C ATOM 0 H VAL A 56 -8.685 5.366 -5.344 1.00 73.11 H new ATOM 0 HA VAL A 56 -9.737 7.100 -3.254 1.00 74.54 H new ATOM 0 HB VAL A 56 -8.845 5.156 -2.009 1.00 70.42 H new ATOM 0 HG11 VAL A 56 -6.447 4.612 -2.112 1.00 21.45 H new ATOM 0 HG12 VAL A 56 -7.253 4.345 -3.676 1.00 21.45 H new ATOM 0 HG13 VAL A 56 -6.241 5.788 -3.432 1.00 21.45 H new ATOM 0 HG21 VAL A 56 -7.256 6.374 -0.577 1.00 31.50 H new ATOM 0 HG22 VAL A 56 -7.083 7.621 -1.835 1.00 31.50 H new ATOM 0 HG23 VAL A 56 -8.650 7.386 -1.024 1.00 31.50 H new ATOM 851 N ASP A 57 -7.920 8.792 -3.781 1.00 41.21 N ATOM 852 CA ASP A 57 -7.049 9.837 -4.306 1.00 50.33 C ATOM 853 C ASP A 57 -5.794 9.981 -3.451 1.00 62.50 C ATOM 854 O ASP A 57 -5.809 9.682 -2.257 1.00 72.14 O ATOM 855 CB ASP A 57 -7.796 11.171 -4.366 1.00 1.20 C ATOM 856 CG ASP A 57 -7.293 12.067 -5.481 1.00 72.33 C ATOM 857 OD1 ASP A 57 -6.929 11.534 -6.550 1.00 42.33 O ATOM 858 OD2 ASP A 57 -7.263 13.299 -5.284 1.00 41.22 O ATOM 0 H ASP A 57 -8.524 9.091 -3.015 1.00 41.21 H new ATOM 0 HA ASP A 57 -6.748 9.552 -5.314 1.00 50.33 H new ATOM 0 HB2 ASP A 57 -8.860 10.982 -4.508 1.00 1.20 H new ATOM 0 HB3 ASP A 57 -7.688 11.688 -3.412 1.00 1.20 H new ATOM 863 N GLU A 58 -4.710 10.439 -4.069 1.00 54.11 N ATOM 864 CA GLU A 58 -3.448 10.620 -3.363 1.00 44.25 C ATOM 865 C GLU A 58 -3.628 11.526 -2.149 1.00 22.42 C ATOM 866 O GLU A 58 -3.103 11.248 -1.071 1.00 23.11 O ATOM 867 CB GLU A 58 -2.394 11.211 -4.302 1.00 42.01 C ATOM 868 CG GLU A 58 -0.972 11.078 -3.781 1.00 54.11 C ATOM 869 CD GLU A 58 -0.632 9.658 -3.370 1.00 15.43 C ATOM 870 OE1 GLU A 58 -1.140 8.717 -4.014 1.00 12.21 O ATOM 871 OE2 GLU A 58 0.141 9.490 -2.404 1.00 31.05 O ATOM 0 H GLU A 58 -4.681 10.691 -5.057 1.00 54.11 H new ATOM 0 HA GLU A 58 -3.111 9.643 -3.018 1.00 44.25 H new ATOM 0 HB2 GLU A 58 -2.465 10.717 -5.271 1.00 42.01 H new ATOM 0 HB3 GLU A 58 -2.615 12.266 -4.465 1.00 42.01 H new ATOM 0 HG2 GLU A 58 -0.274 11.406 -4.552 1.00 54.11 H new ATOM 0 HG3 GLU A 58 -0.838 11.742 -2.927 1.00 54.11 H new ATOM 878 N ASP A 59 -4.374 12.610 -2.332 1.00 22.33 N ATOM 879 CA ASP A 59 -4.625 13.556 -1.252 1.00 11.15 C ATOM 880 C ASP A 59 -5.217 12.850 -0.036 1.00 71.05 C ATOM 881 O ASP A 59 -5.036 13.288 1.100 1.00 11.22 O ATOM 882 CB ASP A 59 -5.569 14.663 -1.724 1.00 0.42 C ATOM 883 CG ASP A 59 -6.123 15.482 -0.574 1.00 24.10 C ATOM 884 OD1 ASP A 59 -5.339 16.218 0.061 1.00 70.31 O ATOM 885 OD2 ASP A 59 -7.340 15.386 -0.309 1.00 41.14 O ATOM 0 H ASP A 59 -4.815 12.855 -3.218 1.00 22.33 H new ATOM 0 HA ASP A 59 -3.672 14.000 -0.963 1.00 11.15 H new ATOM 0 HB2 ASP A 59 -5.037 15.321 -2.412 1.00 0.42 H new ATOM 0 HB3 ASP A 59 -6.394 14.220 -2.281 1.00 0.42 H new ATOM 890 N LYS A 60 -5.927 11.754 -0.283 1.00 24.13 N ATOM 891 CA LYS A 60 -6.547 10.986 0.790 1.00 43.32 C ATOM 892 C LYS A 60 -5.535 10.048 1.442 1.00 3.52 C ATOM 893 O LYS A 60 -5.677 9.681 2.609 1.00 53.32 O ATOM 894 CB LYS A 60 -7.730 10.180 0.250 1.00 2.23 C ATOM 895 CG LYS A 60 -8.801 11.036 -0.402 1.00 51.11 C ATOM 896 CD LYS A 60 -9.659 11.741 0.634 1.00 15.34 C ATOM 897 CE LYS A 60 -10.679 10.796 1.251 1.00 52.02 C ATOM 898 NZ LYS A 60 -11.814 10.525 0.326 1.00 63.54 N ATOM 0 H LYS A 60 -6.087 11.378 -1.217 1.00 24.13 H new ATOM 0 HA LYS A 60 -6.906 11.686 1.544 1.00 43.32 H new ATOM 0 HB2 LYS A 60 -7.364 9.455 -0.477 1.00 2.23 H new ATOM 0 HB3 LYS A 60 -8.177 9.614 1.067 1.00 2.23 H new ATOM 0 HG2 LYS A 60 -8.332 11.775 -1.051 1.00 51.11 H new ATOM 0 HG3 LYS A 60 -9.432 10.412 -1.034 1.00 51.11 H new ATOM 0 HD2 LYS A 60 -9.022 12.151 1.417 1.00 15.34 H new ATOM 0 HD3 LYS A 60 -10.175 12.582 0.170 1.00 15.34 H new ATOM 0 HE2 LYS A 60 -10.192 9.857 1.513 1.00 52.02 H new ATOM 0 HE3 LYS A 60 -11.060 11.227 2.177 1.00 52.02 H new ATOM 0 HZ1 LYS A 60 -12.558 10.004 0.833 1.00 63.54 H new ATOM 0 HZ2 LYS A 60 -12.199 11.425 -0.025 1.00 63.54 H new ATOM 0 HZ3 LYS A 60 -11.479 9.956 -0.477 1.00 63.54 H new ATOM 912 N ALA A 61 -4.513 9.666 0.683 1.00 55.21 N ATOM 913 CA ALA A 61 -3.477 8.775 1.188 1.00 71.12 C ATOM 914 C ALA A 61 -2.268 9.563 1.682 1.00 71.52 C ATOM 915 O ALA A 61 -1.146 9.059 1.683 1.00 62.55 O ATOM 916 CB ALA A 61 -3.059 7.786 0.110 1.00 34.24 C ATOM 0 H ALA A 61 -4.381 9.960 -0.285 1.00 55.21 H new ATOM 0 HA ALA A 61 -3.888 8.223 2.033 1.00 71.12 H new ATOM 0 HB1 ALA A 61 -2.284 7.127 0.502 1.00 34.24 H new ATOM 0 HB2 ALA A 61 -3.921 7.192 -0.193 1.00 34.24 H new ATOM 0 HB3 ALA A 61 -2.671 8.329 -0.752 1.00 34.24 H new ATOM 922 N GLN A 62 -2.506 10.802 2.101 1.00 21.41 N ATOM 923 CA GLN A 62 -1.436 11.659 2.595 1.00 1.42 C ATOM 924 C GLN A 62 -0.977 11.213 3.980 1.00 13.13 C ATOM 925 O GLN A 62 0.218 11.045 4.225 1.00 52.21 O ATOM 926 CB GLN A 62 -1.901 13.115 2.644 1.00 50.32 C ATOM 927 CG GLN A 62 -2.036 13.758 1.272 1.00 24.31 C ATOM 928 CD GLN A 62 -0.701 14.187 0.696 1.00 3.32 C ATOM 929 OE1 GLN A 62 0.151 14.721 1.406 1.00 44.32 O ATOM 930 NE2 GLN A 62 -0.513 13.957 -0.598 1.00 65.41 N ATOM 0 H GLN A 62 -3.430 11.234 2.108 1.00 21.41 H new ATOM 0 HA GLN A 62 -0.593 11.577 1.909 1.00 1.42 H new ATOM 0 HB2 GLN A 62 -2.863 13.163 3.155 1.00 50.32 H new ATOM 0 HB3 GLN A 62 -1.194 13.693 3.239 1.00 50.32 H new ATOM 0 HG2 GLN A 62 -2.512 13.054 0.590 1.00 24.31 H new ATOM 0 HG3 GLN A 62 -2.692 14.625 1.344 1.00 24.31 H new ATOM 0 HE21 GLN A 62 -1.247 13.512 -1.149 1.00 65.41 H new ATOM 0 HE22 GLN A 62 0.365 14.226 -1.041 1.00 65.41 H new ATOM 939 N ASP A 63 -1.933 11.024 4.882 1.00 74.14 N ATOM 940 CA ASP A 63 -1.628 10.597 6.242 1.00 4.12 C ATOM 941 C ASP A 63 -0.874 9.270 6.238 1.00 35.45 C ATOM 942 O ASP A 63 -0.138 8.961 7.176 1.00 43.11 O ATOM 943 CB ASP A 63 -2.914 10.465 7.060 1.00 61.03 C ATOM 944 CG ASP A 63 -3.630 11.790 7.230 1.00 1.23 C ATOM 945 OD1 ASP A 63 -3.228 12.572 8.118 1.00 72.25 O ATOM 946 OD2 ASP A 63 -4.593 12.046 6.477 1.00 73.10 O ATOM 0 H ASP A 63 -2.927 11.160 4.696 1.00 74.14 H new ATOM 0 HA ASP A 63 -0.993 11.355 6.700 1.00 4.12 H new ATOM 0 HB2 ASP A 63 -3.581 9.755 6.571 1.00 61.03 H new ATOM 0 HB3 ASP A 63 -2.676 10.055 8.042 1.00 61.03 H new ATOM 951 N ILE A 64 -1.065 8.490 5.181 1.00 53.22 N ATOM 952 CA ILE A 64 -0.403 7.197 5.056 1.00 51.44 C ATOM 953 C ILE A 64 1.100 7.326 5.272 1.00 24.11 C ATOM 954 O ILE A 64 1.750 8.191 4.685 1.00 42.35 O ATOM 955 CB ILE A 64 -0.660 6.564 3.675 1.00 1.33 C ATOM 956 CG1 ILE A 64 -2.163 6.447 3.415 1.00 34.01 C ATOM 957 CG2 ILE A 64 0.007 5.199 3.586 1.00 35.20 C ATOM 958 CD1 ILE A 64 -2.889 5.600 4.437 1.00 12.41 C ATOM 0 H ILE A 64 -1.673 8.730 4.398 1.00 53.22 H new ATOM 0 HA ILE A 64 -0.824 6.551 5.827 1.00 51.44 H new ATOM 0 HB ILE A 64 -0.228 7.209 2.910 1.00 1.33 H new ATOM 0 HG12 ILE A 64 -2.601 7.445 3.406 1.00 34.01 H new ATOM 0 HG13 ILE A 64 -2.320 6.021 2.424 1.00 34.01 H new ATOM 0 HG21 ILE A 64 -0.183 4.764 2.605 1.00 35.20 H new ATOM 0 HG22 ILE A 64 1.082 5.309 3.732 1.00 35.20 H new ATOM 0 HG23 ILE A 64 -0.399 4.545 4.358 1.00 35.20 H new ATOM 0 HD11 ILE A 64 -3.950 5.561 4.190 1.00 12.41 H new ATOM 0 HD12 ILE A 64 -2.478 4.591 4.431 1.00 12.41 H new ATOM 0 HD13 ILE A 64 -2.763 6.037 5.427 1.00 12.41 H new ATOM 970 N SER A 65 1.647 6.459 6.118 1.00 43.44 N ATOM 971 CA SER A 65 3.075 6.477 6.413 1.00 22.14 C ATOM 972 C SER A 65 3.693 5.099 6.195 1.00 60.10 C ATOM 973 O SER A 65 4.700 4.958 5.500 1.00 32.34 O ATOM 974 CB SER A 65 3.314 6.933 7.854 1.00 32.03 C ATOM 975 OG SER A 65 3.270 8.345 7.956 1.00 0.52 O ATOM 0 H SER A 65 1.123 5.736 6.611 1.00 43.44 H new ATOM 0 HA SER A 65 3.552 7.182 5.732 1.00 22.14 H new ATOM 0 HB2 SER A 65 2.560 6.494 8.507 1.00 32.03 H new ATOM 0 HB3 SER A 65 4.283 6.570 8.197 1.00 32.03 H new ATOM 0 HG SER A 65 3.424 8.611 8.887 1.00 0.52 H new ATOM 981 N THR A 66 3.081 4.082 6.794 1.00 20.33 N ATOM 982 CA THR A 66 3.569 2.715 6.669 1.00 64.25 C ATOM 983 C THR A 66 2.594 1.853 5.874 1.00 15.04 C ATOM 984 O THR A 66 1.482 2.284 5.564 1.00 20.11 O ATOM 985 CB THR A 66 3.799 2.070 8.049 1.00 50.41 C ATOM 986 OG1 THR A 66 2.542 1.759 8.659 1.00 10.13 O ATOM 987 CG2 THR A 66 4.592 3.000 8.954 1.00 61.01 C ATOM 0 H THR A 66 2.246 4.180 7.371 1.00 20.33 H new ATOM 0 HA THR A 66 4.520 2.768 6.139 1.00 64.25 H new ATOM 0 HB THR A 66 4.370 1.152 7.907 1.00 50.41 H new ATOM 0 HG1 THR A 66 2.564 0.842 9.005 1.00 10.13 H new ATOM 0 HG21 THR A 66 4.742 2.524 9.923 1.00 61.01 H new ATOM 0 HG22 THR A 66 5.560 3.212 8.500 1.00 61.01 H new ATOM 0 HG23 THR A 66 4.043 3.932 9.089 1.00 61.01 H new ATOM 995 N ILE A 67 3.015 0.635 5.550 1.00 12.21 N ATOM 996 CA ILE A 67 2.177 -0.286 4.793 1.00 34.41 C ATOM 997 C ILE A 67 0.806 -0.442 5.444 1.00 41.30 C ATOM 998 O ILE A 67 -0.222 -0.370 4.772 1.00 53.32 O ATOM 999 CB ILE A 67 2.835 -1.673 4.670 1.00 14.10 C ATOM 1000 CG1 ILE A 67 4.218 -1.550 4.028 1.00 14.53 C ATOM 1001 CG2 ILE A 67 1.950 -2.608 3.859 1.00 41.23 C ATOM 1002 CD1 ILE A 67 4.182 -1.022 2.612 1.00 44.41 C ATOM 0 H ILE A 67 3.931 0.263 5.800 1.00 12.21 H new ATOM 0 HA ILE A 67 2.058 0.140 3.797 1.00 34.41 H new ATOM 0 HB ILE A 67 2.955 -2.092 5.669 1.00 14.10 H new ATOM 0 HG12 ILE A 67 4.835 -0.890 4.638 1.00 14.53 H new ATOM 0 HG13 ILE A 67 4.699 -2.528 4.030 1.00 14.53 H new ATOM 0 HG21 ILE A 67 2.428 -3.584 3.780 1.00 41.23 H new ATOM 0 HG22 ILE A 67 0.985 -2.715 4.354 1.00 41.23 H new ATOM 0 HG23 ILE A 67 1.803 -2.195 2.861 1.00 41.23 H new ATOM 0 HD11 ILE A 67 5.197 -0.961 2.220 1.00 44.41 H new ATOM 0 HD12 ILE A 67 3.592 -1.694 1.988 1.00 44.41 H new ATOM 0 HD13 ILE A 67 3.730 -0.030 2.605 1.00 44.41 H new ATOM 1014 N GLN A 68 0.800 -0.655 6.756 1.00 4.41 N ATOM 1015 CA GLN A 68 -0.444 -0.820 7.497 1.00 12.42 C ATOM 1016 C GLN A 68 -1.393 0.345 7.233 1.00 21.34 C ATOM 1017 O GLN A 68 -2.580 0.144 6.979 1.00 11.23 O ATOM 1018 CB GLN A 68 -0.159 -0.932 8.996 1.00 32.31 C ATOM 1019 CG GLN A 68 -0.072 -2.366 9.493 1.00 11.42 C ATOM 1020 CD GLN A 68 -1.416 -2.916 9.926 1.00 34.31 C ATOM 1021 OE1 GLN A 68 -1.697 -3.036 11.119 1.00 5.42 O ATOM 1022 NE2 GLN A 68 -2.258 -3.254 8.956 1.00 12.02 N ATOM 0 H GLN A 68 1.643 -0.717 7.327 1.00 4.41 H new ATOM 0 HA GLN A 68 -0.922 -1.739 7.156 1.00 12.42 H new ATOM 0 HB2 GLN A 68 0.778 -0.422 9.218 1.00 32.31 H new ATOM 0 HB3 GLN A 68 -0.943 -0.412 9.546 1.00 32.31 H new ATOM 0 HG2 GLN A 68 0.337 -2.996 8.703 1.00 11.42 H new ATOM 0 HG3 GLN A 68 0.623 -2.414 10.331 1.00 11.42 H new ATOM 0 HE21 GLN A 68 -1.985 -3.138 7.980 1.00 12.02 H new ATOM 0 HE22 GLN A 68 -3.178 -3.629 9.187 1.00 12.02 H new ATOM 1031 N GLN A 69 -0.861 1.561 7.297 1.00 61.24 N ATOM 1032 CA GLN A 69 -1.662 2.758 7.066 1.00 22.53 C ATOM 1033 C GLN A 69 -2.408 2.666 5.739 1.00 64.14 C ATOM 1034 O GLN A 69 -3.595 2.978 5.660 1.00 15.12 O ATOM 1035 CB GLN A 69 -0.773 4.002 7.081 1.00 3.30 C ATOM 1036 CG GLN A 69 -0.078 4.239 8.412 1.00 75.21 C ATOM 1037 CD GLN A 69 -1.056 4.391 9.561 1.00 73.43 C ATOM 1038 OE1 GLN A 69 -1.892 5.295 9.565 1.00 62.33 O ATOM 1039 NE2 GLN A 69 -0.957 3.503 10.544 1.00 54.31 N ATOM 0 H GLN A 69 0.120 1.744 7.507 1.00 61.24 H new ATOM 0 HA GLN A 69 -2.395 2.835 7.869 1.00 22.53 H new ATOM 0 HB2 GLN A 69 -0.019 3.909 6.299 1.00 3.30 H new ATOM 0 HB3 GLN A 69 -1.379 4.874 6.837 1.00 3.30 H new ATOM 0 HG2 GLN A 69 0.595 3.407 8.620 1.00 75.21 H new ATOM 0 HG3 GLN A 69 0.537 5.136 8.342 1.00 75.21 H new ATOM 0 HE21 GLN A 69 -0.249 2.770 10.500 1.00 54.31 H new ATOM 0 HE22 GLN A 69 -1.589 3.554 11.343 1.00 54.31 H new ATOM 1048 N ALA A 70 -1.702 2.236 4.698 1.00 40.21 N ATOM 1049 CA ALA A 70 -2.298 2.101 3.375 1.00 71.00 C ATOM 1050 C ALA A 70 -3.253 0.914 3.320 1.00 64.32 C ATOM 1051 O ALA A 70 -4.216 0.915 2.556 1.00 73.24 O ATOM 1052 CB ALA A 70 -1.211 1.957 2.319 1.00 51.25 C ATOM 0 H ALA A 70 -0.717 1.975 4.746 1.00 40.21 H new ATOM 0 HA ALA A 70 -2.873 3.004 3.169 1.00 71.00 H new ATOM 0 HB1 ALA A 70 -1.670 1.857 1.335 1.00 51.25 H new ATOM 0 HB2 ALA A 70 -0.571 2.839 2.333 1.00 51.25 H new ATOM 0 HB3 ALA A 70 -0.612 1.071 2.532 1.00 51.25 H new ATOM 1058 N ALA A 71 -2.977 -0.099 4.135 1.00 31.44 N ATOM 1059 CA ALA A 71 -3.812 -1.293 4.181 1.00 74.04 C ATOM 1060 C ALA A 71 -5.129 -1.014 4.895 1.00 35.55 C ATOM 1061 O ALA A 71 -6.155 -1.621 4.586 1.00 11.41 O ATOM 1062 CB ALA A 71 -3.070 -2.431 4.866 1.00 44.15 C ATOM 0 H ALA A 71 -2.181 -0.116 4.773 1.00 31.44 H new ATOM 0 HA ALA A 71 -4.039 -1.587 3.156 1.00 74.04 H new ATOM 0 HB1 ALA A 71 -3.706 -3.316 4.893 1.00 44.15 H new ATOM 0 HB2 ALA A 71 -2.158 -2.656 4.313 1.00 44.15 H new ATOM 0 HB3 ALA A 71 -2.813 -2.137 5.884 1.00 44.15 H new ATOM 1068 N ASP A 72 -5.095 -0.092 5.852 1.00 73.03 N ATOM 1069 CA ASP A 72 -6.288 0.267 6.610 1.00 40.44 C ATOM 1070 C ASP A 72 -7.266 1.055 5.744 1.00 63.10 C ATOM 1071 O ASP A 72 -8.482 0.939 5.899 1.00 14.04 O ATOM 1072 CB ASP A 72 -5.906 1.087 7.844 1.00 71.22 C ATOM 1073 CG ASP A 72 -5.405 0.220 8.981 1.00 0.15 C ATOM 1074 OD1 ASP A 72 -4.762 -0.814 8.701 1.00 33.32 O ATOM 1075 OD2 ASP A 72 -5.653 0.576 10.152 1.00 13.34 O ATOM 0 H ASP A 72 -4.255 0.420 6.121 1.00 73.03 H new ATOM 0 HA ASP A 72 -6.775 -0.654 6.931 1.00 40.44 H new ATOM 0 HB2 ASP A 72 -5.135 1.808 7.573 1.00 71.22 H new ATOM 0 HB3 ASP A 72 -6.772 1.658 8.180 1.00 71.22 H new ATOM 1080 N VAL A 73 -6.727 1.857 4.831 1.00 55.43 N ATOM 1081 CA VAL A 73 -7.551 2.664 3.939 1.00 33.04 C ATOM 1082 C VAL A 73 -8.168 1.811 2.837 1.00 60.33 C ATOM 1083 O VAL A 73 -9.362 1.912 2.554 1.00 41.32 O ATOM 1084 CB VAL A 73 -6.735 3.801 3.296 1.00 13.04 C ATOM 1085 CG1 VAL A 73 -7.606 4.615 2.351 1.00 61.13 C ATOM 1086 CG2 VAL A 73 -6.125 4.691 4.369 1.00 35.33 C ATOM 0 H VAL A 73 -5.723 1.965 4.690 1.00 55.43 H new ATOM 0 HA VAL A 73 -8.345 3.096 4.548 1.00 33.04 H new ATOM 0 HB VAL A 73 -5.924 3.360 2.716 1.00 13.04 H new ATOM 0 HG11 VAL A 73 -7.012 5.414 1.906 1.00 61.13 H new ATOM 0 HG12 VAL A 73 -7.992 3.968 1.563 1.00 61.13 H new ATOM 0 HG13 VAL A 73 -8.439 5.048 2.905 1.00 61.13 H new ATOM 0 HG21 VAL A 73 -5.552 5.489 3.897 1.00 35.33 H new ATOM 0 HG22 VAL A 73 -6.919 5.125 4.977 1.00 35.33 H new ATOM 0 HG23 VAL A 73 -5.466 4.097 5.003 1.00 35.33 H new ATOM 1096 N ILE A 74 -7.347 0.968 2.220 1.00 43.43 N ATOM 1097 CA ILE A 74 -7.811 0.095 1.149 1.00 15.00 C ATOM 1098 C ILE A 74 -8.908 -0.843 1.642 1.00 33.44 C ATOM 1099 O ILE A 74 -10.013 -0.860 1.101 1.00 42.54 O ATOM 1100 CB ILE A 74 -6.659 -0.742 0.565 1.00 72.34 C ATOM 1101 CG1 ILE A 74 -5.565 0.172 0.009 1.00 32.21 C ATOM 1102 CG2 ILE A 74 -7.179 -1.676 -0.519 1.00 50.42 C ATOM 1103 CD1 ILE A 74 -4.204 -0.486 -0.056 1.00 40.43 C ATOM 0 H ILE A 74 -6.357 0.871 2.444 1.00 43.43 H new ATOM 0 HA ILE A 74 -8.212 0.740 0.367 1.00 15.00 H new ATOM 0 HB ILE A 74 -6.229 -1.347 1.363 1.00 72.34 H new ATOM 0 HG12 ILE A 74 -5.850 0.499 -0.991 1.00 32.21 H new ATOM 0 HG13 ILE A 74 -5.499 1.065 0.630 1.00 32.21 H new ATOM 0 HG21 ILE A 74 -6.353 -2.261 -0.922 1.00 50.42 H new ATOM 0 HG22 ILE A 74 -7.925 -2.347 -0.094 1.00 50.42 H new ATOM 0 HG23 ILE A 74 -7.632 -1.089 -1.318 1.00 50.42 H new ATOM 0 HD11 ILE A 74 -3.478 0.219 -0.460 1.00 40.43 H new ATOM 0 HD12 ILE A 74 -3.898 -0.789 0.945 1.00 40.43 H new ATOM 0 HD13 ILE A 74 -4.254 -1.363 -0.701 1.00 40.43 H new ATOM 1115 N GLU A 75 -8.595 -1.620 2.674 1.00 31.03 N ATOM 1116 CA GLU A 75 -9.554 -2.560 3.240 1.00 35.04 C ATOM 1117 C GLU A 75 -10.861 -1.856 3.593 1.00 73.54 C ATOM 1118 O GLU A 75 -11.935 -2.457 3.544 1.00 31.04 O ATOM 1119 CB GLU A 75 -8.971 -3.229 4.487 1.00 75.52 C ATOM 1120 CG GLU A 75 -8.896 -2.310 5.693 1.00 4.35 C ATOM 1121 CD GLU A 75 -10.166 -2.325 6.520 1.00 60.51 C ATOM 1122 OE1 GLU A 75 -10.729 -3.421 6.722 1.00 31.32 O ATOM 1123 OE2 GLU A 75 -10.597 -1.242 6.966 1.00 11.32 O ATOM 0 H GLU A 75 -7.685 -1.617 3.135 1.00 31.03 H new ATOM 0 HA GLU A 75 -9.762 -3.323 2.490 1.00 35.04 H new ATOM 0 HB2 GLU A 75 -9.579 -4.098 4.740 1.00 75.52 H new ATOM 0 HB3 GLU A 75 -7.970 -3.596 4.258 1.00 75.52 H new ATOM 0 HG2 GLU A 75 -8.056 -2.608 6.320 1.00 4.35 H new ATOM 0 HG3 GLU A 75 -8.698 -1.292 5.357 1.00 4.35 H new ATOM 1130 N GLY A 76 -10.763 -0.580 3.949 1.00 1.43 N ATOM 1131 CA GLY A 76 -11.943 0.185 4.304 1.00 34.44 C ATOM 1132 C GLY A 76 -12.881 0.385 3.130 1.00 0.53 C ATOM 1133 O GLY A 76 -14.090 0.541 3.311 1.00 63.14 O ATOM 0 H GLY A 76 -9.886 -0.061 3.998 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -12.475 -0.326 5.107 1.00 34.44 H new ATOM 0 HA3 GLY A 76 -11.639 1.157 4.691 1.00 34.44 H new ATOM 1137 N LEU A 77 -12.324 0.383 1.924 1.00 1.04 N ATOM 1138 CA LEU A 77 -13.119 0.568 0.714 1.00 24.32 C ATOM 1139 C LEU A 77 -13.812 -0.732 0.316 1.00 40.52 C ATOM 1140 O LEU A 77 -14.954 -0.722 -0.145 1.00 12.05 O ATOM 1141 CB LEU A 77 -12.232 1.059 -0.431 1.00 2.13 C ATOM 1142 CG LEU A 77 -11.521 2.393 -0.205 1.00 3.25 C ATOM 1143 CD1 LEU A 77 -10.137 2.374 -0.835 1.00 23.12 C ATOM 1144 CD2 LEU A 77 -12.348 3.541 -0.766 1.00 74.41 C ATOM 0 H LEU A 77 -11.326 0.255 1.757 1.00 1.04 H new ATOM 0 HA LEU A 77 -13.883 1.317 0.920 1.00 24.32 H new ATOM 0 HB2 LEU A 77 -11.478 0.298 -0.632 1.00 2.13 H new ATOM 0 HB3 LEU A 77 -12.845 1.145 -1.328 1.00 2.13 H new ATOM 0 HG LEU A 77 -11.407 2.544 0.868 1.00 3.25 H new ATOM 0 HD11 LEU A 77 -9.646 3.332 -0.664 1.00 23.12 H new ATOM 0 HD12 LEU A 77 -9.544 1.577 -0.386 1.00 23.12 H new ATOM 0 HD13 LEU A 77 -10.228 2.199 -1.907 1.00 23.12 H new ATOM 0 HD21 LEU A 77 -11.826 4.483 -0.596 1.00 74.41 H new ATOM 0 HD22 LEU A 77 -12.494 3.395 -1.836 1.00 74.41 H new ATOM 0 HD23 LEU A 77 -13.317 3.568 -0.268 1.00 74.41 H new ATOM 1156 N LEU A 78 -13.114 -1.847 0.495 1.00 31.33 N ATOM 1157 CA LEU A 78 -13.664 -3.156 0.157 1.00 3.34 C ATOM 1158 C LEU A 78 -15.039 -3.349 0.786 1.00 73.50 C ATOM 1159 O LEU A 78 -15.897 -4.032 0.229 1.00 74.45 O ATOM 1160 CB LEU A 78 -12.717 -4.264 0.621 1.00 14.14 C ATOM 1161 CG LEU A 78 -11.595 -4.637 -0.346 1.00 45.43 C ATOM 1162 CD1 LEU A 78 -12.132 -5.490 -1.485 1.00 70.45 C ATOM 1163 CD2 LEU A 78 -10.920 -3.385 -0.889 1.00 65.14 C ATOM 0 H LEU A 78 -12.167 -1.872 0.872 1.00 31.33 H new ATOM 0 HA LEU A 78 -13.771 -3.208 -0.926 1.00 3.34 H new ATOM 0 HB2 LEU A 78 -12.268 -3.958 1.566 1.00 14.14 H new ATOM 0 HB3 LEU A 78 -13.307 -5.158 0.823 1.00 14.14 H new ATOM 0 HG LEU A 78 -10.852 -5.220 0.199 1.00 45.43 H new ATOM 0 HD11 LEU A 78 -11.318 -5.746 -2.163 1.00 70.45 H new ATOM 0 HD12 LEU A 78 -12.568 -6.404 -1.081 1.00 70.45 H new ATOM 0 HD13 LEU A 78 -12.895 -4.933 -2.028 1.00 70.45 H new ATOM 0 HD21 LEU A 78 -10.123 -3.670 -1.576 1.00 65.14 H new ATOM 0 HD22 LEU A 78 -11.654 -2.776 -1.417 1.00 65.14 H new ATOM 0 HD23 LEU A 78 -10.499 -2.811 -0.063 1.00 65.14 H new ATOM 1175 N GLU A 79 -15.242 -2.740 1.951 1.00 32.41 N ATOM 1176 CA GLU A 79 -16.515 -2.845 2.655 1.00 23.23 C ATOM 1177 C GLU A 79 -17.623 -2.134 1.884 1.00 61.24 C ATOM 1178 O GLU A 79 -18.757 -2.612 1.823 1.00 51.14 O ATOM 1179 CB GLU A 79 -16.395 -2.252 4.061 1.00 12.32 C ATOM 1180 CG GLU A 79 -15.708 -3.173 5.055 1.00 73.44 C ATOM 1181 CD GLU A 79 -16.625 -4.270 5.563 1.00 42.25 C ATOM 1182 OE1 GLU A 79 -17.846 -4.182 5.316 1.00 74.54 O ATOM 1183 OE2 GLU A 79 -16.122 -5.215 6.204 1.00 23.35 O ATOM 0 H GLU A 79 -14.542 -2.170 2.426 1.00 32.41 H new ATOM 0 HA GLU A 79 -16.772 -3.901 2.734 1.00 23.23 H new ATOM 0 HB2 GLU A 79 -15.841 -1.315 4.005 1.00 12.32 H new ATOM 0 HB3 GLU A 79 -17.392 -2.011 4.431 1.00 12.32 H new ATOM 0 HG2 GLU A 79 -14.835 -3.624 4.584 1.00 73.44 H new ATOM 0 HG3 GLU A 79 -15.347 -2.586 5.900 1.00 73.44 H new ATOM 1190 N LYS A 80 -17.288 -0.991 1.297 1.00 32.40 N ATOM 1191 CA LYS A 80 -18.253 -0.213 0.529 1.00 4.31 C ATOM 1192 C LYS A 80 -18.763 -1.009 -0.669 1.00 22.33 C ATOM 1193 O LYS A 80 -19.889 -0.810 -1.126 1.00 11.34 O ATOM 1194 CB LYS A 80 -17.620 1.096 0.052 1.00 3.23 C ATOM 1195 CG LYS A 80 -18.630 2.196 -0.222 1.00 34.03 C ATOM 1196 CD LYS A 80 -19.245 2.722 1.065 1.00 24.02 C ATOM 1197 CE LYS A 80 -20.148 3.917 0.804 1.00 72.14 C ATOM 1198 NZ LYS A 80 -21.256 3.580 -0.133 1.00 23.00 N ATOM 0 H LYS A 80 -16.355 -0.582 1.338 1.00 32.40 H new ATOM 0 HA LYS A 80 -19.098 0.015 1.179 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.913 1.443 0.805 1.00 3.23 H new ATOM 0 HB3 LYS A 80 -17.049 0.904 -0.857 1.00 3.23 H new ATOM 0 HG2 LYS A 80 -18.144 3.013 -0.754 1.00 34.03 H new ATOM 0 HG3 LYS A 80 -19.417 1.815 -0.873 1.00 34.03 H new ATOM 0 HD2 LYS A 80 -19.819 1.929 1.546 1.00 24.02 H new ATOM 0 HD3 LYS A 80 -18.453 3.007 1.758 1.00 24.02 H new ATOM 0 HE2 LYS A 80 -20.565 4.270 1.747 1.00 72.14 H new ATOM 0 HE3 LYS A 80 -19.558 4.735 0.390 1.00 72.14 H new ATOM 0 HZ1 LYS A 80 -21.942 4.361 -0.155 1.00 23.00 H new ATOM 0 HZ2 LYS A 80 -20.870 3.431 -1.087 1.00 23.00 H new ATOM 0 HZ3 LYS A 80 -21.730 2.712 0.188 1.00 23.00 H new ATOM 1212 N LYS A 81 -17.928 -1.912 -1.172 1.00 33.31 N ATOM 1213 CA LYS A 81 -18.295 -2.741 -2.314 1.00 34.23 C ATOM 1214 C LYS A 81 -19.448 -3.676 -1.960 1.00 61.51 C ATOM 1215 O LYS A 81 -19.901 -3.713 -0.817 1.00 14.53 O ATOM 1216 CB LYS A 81 -17.089 -3.556 -2.786 1.00 74.44 C ATOM 1217 CG LYS A 81 -15.836 -2.725 -2.991 1.00 61.12 C ATOM 1218 CD LYS A 81 -14.683 -3.570 -3.508 1.00 32.51 C ATOM 1219 CE LYS A 81 -14.727 -3.708 -5.022 1.00 33.43 C ATOM 1220 NZ LYS A 81 -13.466 -4.284 -5.564 1.00 11.44 N ATOM 0 H LYS A 81 -16.992 -2.088 -0.807 1.00 33.31 H new ATOM 0 HA LYS A 81 -18.619 -2.083 -3.120 1.00 34.23 H new ATOM 0 HB2 LYS A 81 -16.881 -4.338 -2.055 1.00 74.44 H new ATOM 0 HB3 LYS A 81 -17.342 -4.054 -3.722 1.00 74.44 H new ATOM 0 HG2 LYS A 81 -16.044 -1.921 -3.697 1.00 61.12 H new ATOM 0 HG3 LYS A 81 -15.551 -2.257 -2.049 1.00 61.12 H new ATOM 0 HD2 LYS A 81 -13.737 -3.117 -3.210 1.00 32.51 H new ATOM 0 HD3 LYS A 81 -14.721 -4.559 -3.050 1.00 32.51 H new ATOM 0 HE2 LYS A 81 -15.567 -4.343 -5.304 1.00 33.43 H new ATOM 0 HE3 LYS A 81 -14.902 -2.730 -5.471 1.00 33.43 H new ATOM 0 HZ1 LYS A 81 -13.451 -4.175 -6.598 1.00 11.44 H new ATOM 0 HZ2 LYS A 81 -12.651 -3.786 -5.152 1.00 11.44 H new ATOM 0 HZ3 LYS A 81 -13.413 -5.294 -5.321 1.00 11.44 H new ATOM 1234 N ALA A 82 -19.915 -4.432 -2.948 1.00 72.05 N ATOM 1235 CA ALA A 82 -21.012 -5.370 -2.739 1.00 51.43 C ATOM 1236 C ALA A 82 -22.280 -4.643 -2.303 1.00 64.12 C ATOM 1237 O ALA A 82 -23.103 -5.195 -1.572 1.00 64.34 O ATOM 1238 CB ALA A 82 -20.621 -6.419 -1.709 1.00 43.41 C ATOM 0 H ALA A 82 -19.551 -4.414 -3.901 1.00 72.05 H new ATOM 0 HA ALA A 82 -21.218 -5.868 -3.687 1.00 51.43 H new ATOM 0 HB1 ALA A 82 -21.449 -7.112 -1.563 1.00 43.41 H new ATOM 0 HB2 ALA A 82 -19.747 -6.967 -2.061 1.00 43.41 H new ATOM 0 HB3 ALA A 82 -20.386 -5.931 -0.763 1.00 43.41 H new TER 1244 ALA A 82