USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0948) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.25) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.2) USER MOD Single : A 4 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.57) USER MOD Single : A 28 SER OG : rot 136:sc= -1.01! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.993 (180deg=-2.45!) USER MOD Single : A 43 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.015) USER MOD Single : A 44 SER OG : rot 76:sc= 0.863 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 67 SER OG : rot -34:sc= 0.0429 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 76 THR OG1 : rot 99:sc= 0.45 USER MOD Single : A 78 GLN : amide:sc= -2.62! C(o=-2.6!,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 136:sc= -3.76 (180deg=-6.23!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -4.44! K(o=-4.4!,f=-0.98) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.41! C(o=-1.4!,f=-12!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.0292 (180deg=-0.356) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.609 K(o=-0.61,f=-2.6!) USER MOD Single : B 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0747) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.52! K(o=-2.5!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.444 -2.280 8.701 1.00 0.20 N ATOM 37 CA LYS A 3 -1.491 -3.362 9.116 1.00 0.18 C ATOM 38 C LYS A 3 -0.101 -3.000 8.592 1.00 0.15 C ATOM 39 O LYS A 3 0.073 -2.702 7.428 1.00 0.16 O ATOM 40 CB LYS A 3 -1.938 -4.697 8.487 1.00 0.19 C ATOM 41 CG LYS A 3 -1.048 -5.864 8.964 1.00 0.20 C ATOM 42 CD LYS A 3 -1.515 -6.365 10.336 1.00 0.81 C ATOM 43 CE LYS A 3 -0.665 -7.567 10.757 1.00 1.03 C ATOM 44 NZ LYS A 3 0.726 -7.117 11.049 1.00 1.67 N ATOM 0 HA LYS A 3 -1.474 -3.459 10.202 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.977 -4.897 8.751 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.894 -4.623 7.400 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.086 -6.678 8.240 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.010 -5.538 9.023 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.428 -5.568 11.075 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.567 -6.647 10.293 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.098 -8.040 11.638 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.657 -8.315 9.965 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 1.230 -7.863 11.570 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.222 -6.922 10.156 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.697 -6.252 11.625 1.00 1.67 H new ATOM 58 N GLN A 4 0.892 -3.028 9.445 1.00 0.15 N ATOM 59 CA GLN A 4 2.276 -2.687 9.001 1.00 0.14 C ATOM 60 C GLN A 4 3.031 -3.980 8.717 1.00 0.12 C ATOM 61 O GLN A 4 3.169 -4.828 9.577 1.00 0.13 O ATOM 62 CB GLN A 4 2.998 -1.916 10.112 1.00 0.16 C ATOM 63 CG GLN A 4 4.413 -1.540 9.652 1.00 0.17 C ATOM 64 CD GLN A 4 5.125 -0.774 10.768 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.896 -1.022 11.936 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.985 0.158 10.455 1.00 0.31 N ATOM 0 H GLN A 4 0.803 -3.273 10.431 1.00 0.15 H new ATOM 0 HA GLN A 4 2.234 -2.070 8.103 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.438 -1.016 10.366 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.049 -2.525 11.015 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.975 -2.439 9.397 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.364 -0.929 8.751 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.177 0.366 9.475 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.464 0.677 11.190 1.00 0.31 H new ATOM 75 N ILE A 5 3.536 -4.134 7.526 1.00 0.10 N ATOM 76 CA ILE A 5 4.295 -5.369 7.191 1.00 0.10 C ATOM 77 C ILE A 5 5.788 -5.033 7.253 1.00 0.10 C ATOM 78 O ILE A 5 6.273 -4.251 6.459 1.00 0.11 O ATOM 79 CB ILE A 5 3.949 -5.773 5.761 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.426 -5.800 5.572 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.526 -7.154 5.472 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.759 -6.679 6.634 1.00 0.19 C ATOM 0 H ILE A 5 3.455 -3.456 6.768 1.00 0.10 H new ATOM 0 HA ILE A 5 4.050 -6.176 7.882 1.00 0.10 H new ATOM 0 HB ILE A 5 4.376 -5.045 5.071 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.030 -4.786 5.632 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.185 -6.178 4.578 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.280 -7.445 4.451 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.609 -7.128 5.591 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.102 -7.878 6.168 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.680 -6.682 6.479 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.140 -7.697 6.555 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.982 -6.284 7.625 1.00 0.19 H new ATOM 94 N GLU A 6 6.531 -5.605 8.170 1.00 0.11 N ATOM 95 CA GLU A 6 7.995 -5.290 8.242 1.00 0.13 C ATOM 96 C GLU A 6 8.803 -6.377 7.527 1.00 0.12 C ATOM 97 O GLU A 6 10.014 -6.313 7.460 1.00 0.13 O ATOM 98 CB GLU A 6 8.432 -5.201 9.705 1.00 0.15 C ATOM 99 CG GLU A 6 7.677 -4.064 10.397 1.00 0.17 C ATOM 100 CD GLU A 6 8.140 -2.722 9.827 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.289 -2.634 9.427 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.335 -1.806 9.799 1.00 2.25 O ATOM 0 H GLU A 6 6.193 -6.270 8.866 1.00 0.11 H new ATOM 0 HA GLU A 6 8.176 -4.334 7.752 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.233 -6.145 10.213 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.506 -5.027 9.764 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.604 -4.183 10.249 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.856 -4.096 11.472 1.00 0.17 H new ATOM 109 N SER A 7 8.148 -7.370 6.983 1.00 0.12 N ATOM 110 CA SER A 7 8.898 -8.453 6.269 1.00 0.13 C ATOM 111 C SER A 7 8.019 -9.121 5.212 1.00 0.12 C ATOM 112 O SER A 7 6.808 -9.103 5.293 1.00 0.12 O ATOM 113 CB SER A 7 9.341 -9.519 7.272 1.00 0.15 C ATOM 114 OG SER A 7 8.195 -10.039 7.933 1.00 0.15 O ATOM 0 H SER A 7 7.134 -7.480 7.000 1.00 0.12 H new ATOM 0 HA SER A 7 9.763 -8.000 5.784 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.875 -10.319 6.759 1.00 0.15 H new ATOM 0 HB3 SER A 7 10.031 -9.089 7.998 1.00 0.15 H new ATOM 0 HG SER A 7 8.471 -10.724 8.577 1.00 0.15 H new ATOM 120 N LYS A 8 8.628 -9.741 4.238 1.00 0.14 N ATOM 121 CA LYS A 8 7.844 -10.445 3.188 1.00 0.15 C ATOM 122 C LYS A 8 7.065 -11.571 3.848 1.00 0.15 C ATOM 123 O LYS A 8 5.972 -11.911 3.443 1.00 0.16 O ATOM 124 CB LYS A 8 8.792 -11.045 2.152 1.00 0.18 C ATOM 125 CG LYS A 8 7.989 -11.551 0.947 1.00 0.21 C ATOM 126 CD LYS A 8 8.840 -12.530 0.135 1.00 0.43 C ATOM 127 CE LYS A 8 10.115 -11.830 -0.330 1.00 0.80 C ATOM 128 NZ LYS A 8 10.794 -12.658 -1.365 1.00 1.65 N ATOM 0 H LYS A 8 9.641 -9.789 4.125 1.00 0.14 H new ATOM 0 HA LYS A 8 7.169 -9.743 2.698 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.516 -10.296 1.830 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.358 -11.865 2.594 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.077 -12.042 1.286 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.686 -10.712 0.321 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.091 -13.401 0.741 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.277 -12.892 -0.725 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.874 -10.848 -0.737 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.783 -11.670 0.517 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.662 -12.178 -1.679 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.038 -13.586 -0.963 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.158 -12.789 -2.177 1.00 1.65 H new ATOM 142 N THR A 9 7.637 -12.164 4.859 1.00 0.15 N ATOM 143 CA THR A 9 6.947 -13.290 5.535 1.00 0.17 C ATOM 144 C THR A 9 5.574 -12.821 6.009 1.00 0.16 C ATOM 145 O THR A 9 4.572 -13.466 5.769 1.00 0.17 O ATOM 146 CB THR A 9 7.788 -13.759 6.729 1.00 0.19 C ATOM 147 OG1 THR A 9 9.096 -14.091 6.278 1.00 0.22 O ATOM 148 CG2 THR A 9 7.145 -14.993 7.360 1.00 0.23 C ATOM 0 H THR A 9 8.549 -11.916 5.243 1.00 0.15 H new ATOM 0 HA THR A 9 6.822 -14.122 4.842 1.00 0.17 H new ATOM 0 HB THR A 9 7.842 -12.961 7.470 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.638 -14.390 7.038 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.746 -15.323 8.208 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.140 -14.745 7.702 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.090 -15.793 6.621 1.00 0.23 H new ATOM 156 N ALA A 10 5.511 -11.693 6.655 1.00 0.15 N ATOM 157 CA ALA A 10 4.194 -11.174 7.110 1.00 0.15 C ATOM 158 C ALA A 10 3.361 -10.765 5.888 1.00 0.14 C ATOM 159 O ALA A 10 2.147 -10.806 5.911 1.00 0.15 O ATOM 160 CB ALA A 10 4.404 -9.969 8.037 1.00 0.17 C ATOM 0 H ALA A 10 6.314 -11.108 6.888 1.00 0.15 H new ATOM 0 HA ALA A 10 3.664 -11.951 7.661 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.436 -9.592 8.368 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.990 -10.274 8.904 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.935 -9.184 7.498 1.00 0.17 H new ATOM 166 N PHE A 11 4.000 -10.353 4.823 1.00 0.14 N ATOM 167 CA PHE A 11 3.230 -9.930 3.615 1.00 0.13 C ATOM 168 C PHE A 11 2.383 -11.099 3.125 1.00 0.14 C ATOM 169 O PHE A 11 1.215 -10.959 2.820 1.00 0.14 O ATOM 170 CB PHE A 11 4.204 -9.540 2.493 1.00 0.14 C ATOM 171 CG PHE A 11 3.440 -8.883 1.366 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.833 -7.640 1.577 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.346 -9.504 0.112 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.128 -7.021 0.541 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.644 -8.881 -0.925 1.00 0.14 C ATOM 176 CZ PHE A 11 2.034 -7.641 -0.709 1.00 0.14 C ATOM 0 H PHE A 11 5.015 -10.291 4.738 1.00 0.14 H new ATOM 0 HA PHE A 11 2.597 -9.081 3.874 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.963 -8.859 2.877 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.725 -10.424 2.126 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.909 -7.159 2.541 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.815 -10.463 -0.053 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.656 -6.064 0.706 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.573 -9.357 -1.892 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.489 -7.162 -1.509 1.00 0.14 H new ATOM 186 N GLN A 12 2.979 -12.252 3.051 1.00 0.14 N ATOM 187 CA GLN A 12 2.236 -13.449 2.579 1.00 0.16 C ATOM 188 C GLN A 12 1.134 -13.783 3.587 1.00 0.15 C ATOM 189 O GLN A 12 0.015 -14.085 3.227 1.00 0.16 O ATOM 190 CB GLN A 12 3.212 -14.624 2.489 1.00 0.18 C ATOM 191 CG GLN A 12 4.385 -14.250 1.578 1.00 0.17 C ATOM 192 CD GLN A 12 3.871 -14.013 0.160 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.058 -14.764 -0.340 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.310 -12.989 -0.510 1.00 1.31 N ATOM 0 H GLN A 12 3.954 -12.418 3.298 1.00 0.14 H new ATOM 0 HA GLN A 12 1.791 -13.257 1.603 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.578 -14.882 3.483 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.702 -15.504 2.099 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.879 -13.353 1.952 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.129 -15.047 1.579 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.993 -12.359 -0.089 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.972 -12.816 -1.456 1.00 1.31 H new ATOM 203 N GLU A 13 1.454 -13.717 4.851 1.00 0.16 N ATOM 204 CA GLU A 13 0.443 -14.016 5.906 1.00 0.17 C ATOM 205 C GLU A 13 -0.679 -12.983 5.855 1.00 0.15 C ATOM 206 O GLU A 13 -1.831 -13.289 6.090 1.00 0.16 O ATOM 207 CB GLU A 13 1.131 -13.975 7.277 1.00 0.19 C ATOM 208 CG GLU A 13 2.150 -15.114 7.385 1.00 0.28 C ATOM 209 CD GLU A 13 1.421 -16.460 7.370 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.238 -16.474 7.669 1.00 1.67 O ATOM 211 OE2 GLU A 13 2.059 -17.453 7.063 1.00 1.77 O ATOM 0 H GLU A 13 2.379 -13.467 5.201 1.00 0.16 H new ATOM 0 HA GLU A 13 0.016 -15.005 5.739 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.630 -13.015 7.415 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.388 -14.064 8.069 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.857 -15.063 6.557 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.728 -15.012 8.304 1.00 0.28 H new ATOM 218 N ALA A 14 -0.349 -11.759 5.560 1.00 0.15 N ATOM 219 CA ALA A 14 -1.390 -10.702 5.498 1.00 0.14 C ATOM 220 C ALA A 14 -2.316 -10.965 4.309 1.00 0.13 C ATOM 221 O ALA A 14 -3.521 -10.850 4.411 1.00 0.13 O ATOM 222 CB ALA A 14 -0.718 -9.339 5.340 1.00 0.15 C ATOM 0 H ALA A 14 0.600 -11.445 5.359 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.977 -10.711 6.417 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.480 -8.561 5.294 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.063 -9.156 6.191 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.131 -9.327 4.421 1.00 0.15 H new ATOM 228 N LEU A 15 -1.764 -11.319 3.180 1.00 0.12 N ATOM 229 CA LEU A 15 -2.617 -11.587 1.993 1.00 0.12 C ATOM 230 C LEU A 15 -3.550 -12.749 2.314 1.00 0.13 C ATOM 231 O LEU A 15 -4.711 -12.745 1.956 1.00 0.13 O ATOM 232 CB LEU A 15 -1.729 -11.958 0.801 1.00 0.13 C ATOM 233 CG LEU A 15 -0.889 -10.740 0.373 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.191 -11.187 -0.622 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.784 -9.663 -0.276 1.00 0.17 C ATOM 0 H LEU A 15 -0.761 -11.433 3.031 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.200 -10.700 1.744 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.073 -12.787 1.069 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.346 -12.296 -0.032 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.418 -10.311 1.257 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.786 -10.325 -0.925 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.838 -11.926 -0.149 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.283 -11.628 -1.499 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.172 -8.811 -0.571 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.275 -10.080 -1.156 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.538 -9.337 0.440 1.00 0.17 H new ATOM 247 N ASP A 16 -3.048 -13.746 2.997 1.00 0.13 N ATOM 248 CA ASP A 16 -3.903 -14.912 3.351 1.00 0.15 C ATOM 249 C ASP A 16 -4.942 -14.482 4.382 1.00 0.15 C ATOM 250 O ASP A 16 -6.078 -14.912 4.360 1.00 0.16 O ATOM 251 CB ASP A 16 -3.038 -16.025 3.949 1.00 0.17 C ATOM 252 CG ASP A 16 -3.852 -17.319 4.018 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.024 -17.240 4.347 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.290 -18.366 3.744 1.00 1.07 O ATOM 0 H ASP A 16 -2.083 -13.800 3.323 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.400 -15.279 2.453 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.147 -16.175 3.340 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.699 -15.742 4.946 1.00 0.17 H new ATOM 259 N ALA A 17 -4.544 -13.643 5.295 1.00 0.15 N ATOM 260 CA ALA A 17 -5.478 -13.173 6.353 1.00 0.16 C ATOM 261 C ALA A 17 -6.545 -12.266 5.740 1.00 0.15 C ATOM 262 O ALA A 17 -7.686 -12.254 6.160 1.00 0.17 O ATOM 263 CB ALA A 17 -4.690 -12.383 7.399 1.00 0.18 C ATOM 0 H ALA A 17 -3.601 -13.259 5.354 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.960 -14.033 6.817 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.368 -12.035 8.178 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -3.928 -13.024 7.841 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.212 -11.526 6.924 1.00 0.18 H new ATOM 269 N ALA A 18 -6.178 -11.492 4.760 1.00 0.14 N ATOM 270 CA ALA A 18 -7.161 -10.566 4.133 1.00 0.15 C ATOM 271 C ALA A 18 -8.319 -11.353 3.516 1.00 0.14 C ATOM 272 O ALA A 18 -9.393 -10.824 3.320 1.00 0.17 O ATOM 273 CB ALA A 18 -6.468 -9.738 3.051 1.00 0.15 C ATOM 0 H ALA A 18 -5.238 -11.460 4.365 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.558 -9.903 4.902 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.189 -9.061 2.593 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.660 -9.159 3.498 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.060 -10.403 2.289 1.00 0.15 H new ATOM 279 N GLY A 19 -8.128 -12.603 3.208 1.00 0.16 N ATOM 280 CA GLY A 19 -9.251 -13.380 2.612 1.00 0.20 C ATOM 281 C GLY A 19 -9.558 -12.850 1.208 1.00 0.16 C ATOM 282 O GLY A 19 -8.671 -12.515 0.450 1.00 0.17 O ATOM 0 H GLY A 19 -7.256 -13.116 3.340 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.989 -14.437 2.563 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -10.136 -13.300 3.243 1.00 0.20 H new ATOM 286 N ASP A 20 -10.816 -12.781 0.857 1.00 0.15 N ATOM 287 CA ASP A 20 -11.205 -12.294 -0.503 1.00 0.14 C ATOM 288 C ASP A 20 -11.432 -10.775 -0.491 1.00 0.12 C ATOM 289 O ASP A 20 -11.849 -10.198 -1.476 1.00 0.13 O ATOM 290 CB ASP A 20 -12.498 -12.993 -0.926 1.00 0.15 C ATOM 291 CG ASP A 20 -12.260 -14.502 -0.996 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.220 -14.894 -1.494 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.121 -15.238 -0.545 1.00 1.07 O ATOM 0 H ASP A 20 -11.597 -13.043 1.458 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.402 -12.520 -1.204 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.294 -12.772 -0.214 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.825 -12.620 -1.896 1.00 0.15 H new ATOM 298 N LYS A 21 -11.169 -10.121 0.607 1.00 0.12 N ATOM 299 CA LYS A 21 -11.379 -8.640 0.668 1.00 0.12 C ATOM 300 C LYS A 21 -10.273 -7.929 -0.120 1.00 0.10 C ATOM 301 O LYS A 21 -9.180 -8.437 -0.258 1.00 0.11 O ATOM 302 CB LYS A 21 -11.320 -8.181 2.128 1.00 0.15 C ATOM 303 CG LYS A 21 -12.531 -8.715 2.901 1.00 0.21 C ATOM 304 CD LYS A 21 -12.717 -7.901 4.184 1.00 0.31 C ATOM 305 CE LYS A 21 -13.677 -8.634 5.122 1.00 0.80 C ATOM 306 NZ LYS A 21 -15.025 -8.703 4.493 1.00 1.50 N ATOM 0 H LYS A 21 -10.818 -10.545 1.466 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.351 -8.396 0.238 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.399 -8.535 2.591 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.302 -7.092 2.174 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.427 -8.651 2.284 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.386 -9.768 3.143 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.755 -7.752 4.675 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -13.109 -6.912 3.946 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.307 -9.639 5.327 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.736 -8.115 6.079 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -15.716 -9.046 5.190 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -15.304 -7.756 4.165 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.997 -9.355 3.683 1.00 1.50 H new ATOM 320 N LEU A 22 -10.552 -6.760 -0.648 1.00 0.11 N ATOM 321 CA LEU A 22 -9.519 -6.029 -1.437 1.00 0.12 C ATOM 322 C LEU A 22 -8.310 -5.765 -0.519 1.00 0.12 C ATOM 323 O LEU A 22 -8.445 -5.708 0.686 1.00 0.14 O ATOM 324 CB LEU A 22 -10.132 -4.698 -1.933 1.00 0.15 C ATOM 325 CG LEU A 22 -9.712 -4.372 -3.382 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.221 -2.958 -3.772 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.183 -4.424 -3.526 1.00 0.47 C ATOM 0 H LEU A 22 -11.450 -6.284 -0.565 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.193 -6.610 -2.300 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.219 -4.756 -1.875 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.820 -3.888 -1.274 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.153 -5.116 -4.045 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.922 -2.733 -4.796 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.308 -2.929 -3.697 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.791 -2.218 -3.097 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.906 -4.191 -4.554 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.729 -3.695 -2.854 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.827 -5.422 -3.272 1.00 0.47 H new ATOM 339 N VAL A 23 -7.134 -5.608 -1.074 1.00 0.11 N ATOM 340 CA VAL A 23 -5.930 -5.357 -0.231 1.00 0.11 C ATOM 341 C VAL A 23 -5.017 -4.367 -0.938 1.00 0.11 C ATOM 342 O VAL A 23 -4.449 -4.653 -1.973 1.00 0.17 O ATOM 343 CB VAL A 23 -5.176 -6.669 -0.009 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.945 -6.418 0.873 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.110 -7.667 0.676 1.00 0.12 C ATOM 0 H VAL A 23 -6.958 -5.643 -2.078 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.241 -4.949 0.731 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.846 -7.071 -0.967 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.411 -7.356 1.028 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.286 -5.702 0.382 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.263 -6.018 1.836 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.582 -8.607 0.839 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.435 -7.262 1.634 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.980 -7.845 0.043 1.00 0.12 H new ATOM 355 N VAL A 24 -4.871 -3.200 -0.379 1.00 0.09 N ATOM 356 CA VAL A 24 -3.991 -2.171 -0.999 1.00 0.09 C ATOM 357 C VAL A 24 -2.675 -2.139 -0.219 1.00 0.09 C ATOM 358 O VAL A 24 -2.662 -2.302 0.986 1.00 0.10 O ATOM 359 CB VAL A 24 -4.676 -0.804 -0.918 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.823 0.241 -1.646 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.058 -0.883 -1.574 1.00 0.14 C ATOM 0 H VAL A 24 -5.326 -2.912 0.487 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.800 -2.409 -2.045 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.787 -0.517 0.128 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.311 1.214 -1.588 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.841 0.299 -1.177 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.710 -0.046 -2.691 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.545 0.091 -1.516 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.949 -1.172 -2.619 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.666 -1.624 -1.054 1.00 0.14 H new ATOM 371 N VAL A 25 -1.568 -1.952 -0.896 1.00 0.09 N ATOM 372 CA VAL A 25 -0.240 -1.932 -0.198 1.00 0.09 C ATOM 373 C VAL A 25 0.499 -0.630 -0.537 1.00 0.10 C ATOM 374 O VAL A 25 0.740 -0.326 -1.687 1.00 0.11 O ATOM 375 CB VAL A 25 0.583 -3.132 -0.684 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.887 -3.231 0.107 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.226 -4.420 -0.490 1.00 0.10 C ATOM 0 H VAL A 25 -1.525 -1.812 -1.905 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.383 -1.989 0.881 1.00 0.09 H new ATOM 0 HB VAL A 25 0.815 -2.997 -1.740 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.463 -4.086 -0.246 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.468 -2.319 -0.033 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.662 -3.358 1.166 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.359 -5.273 -0.835 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.462 -4.546 0.567 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.151 -4.358 -1.063 1.00 0.10 H new ATOM 387 N ASP A 26 0.869 0.135 0.461 1.00 0.11 N ATOM 388 CA ASP A 26 1.604 1.419 0.209 1.00 0.12 C ATOM 389 C ASP A 26 3.115 1.209 0.417 1.00 0.14 C ATOM 390 O ASP A 26 3.561 0.861 1.492 1.00 0.20 O ATOM 391 CB ASP A 26 1.088 2.492 1.181 1.00 0.14 C ATOM 392 CG ASP A 26 1.815 3.816 0.932 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.709 4.333 -0.169 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.474 4.286 1.845 1.00 1.05 O ATOM 0 H ASP A 26 0.694 -0.074 1.444 1.00 0.11 H new ATOM 0 HA ASP A 26 1.433 1.742 -0.818 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.014 2.627 1.050 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.246 2.169 2.210 1.00 0.14 H new ATOM 399 N PHE A 27 3.903 1.428 -0.607 1.00 0.13 N ATOM 400 CA PHE A 27 5.391 1.260 -0.490 1.00 0.13 C ATOM 401 C PHE A 27 6.037 2.611 -0.222 1.00 0.22 C ATOM 402 O PHE A 27 7.182 2.839 -0.559 1.00 0.73 O ATOM 403 CB PHE A 27 5.960 0.675 -1.789 1.00 0.11 C ATOM 404 CG PHE A 27 5.671 -0.802 -1.851 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.500 -1.698 -1.165 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.591 -1.279 -2.596 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.246 -3.073 -1.224 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.339 -2.652 -2.650 1.00 0.14 C ATOM 409 CZ PHE A 27 5.164 -3.549 -1.966 1.00 0.14 C ATOM 0 H PHE A 27 3.578 1.719 -1.529 1.00 0.13 H new ATOM 0 HA PHE A 27 5.606 0.579 0.334 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.519 1.178 -2.649 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.035 0.847 -1.836 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.336 -1.328 -0.590 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.953 -0.589 -3.128 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.886 -3.765 -0.696 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.502 -3.022 -3.223 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.964 -4.609 -2.012 1.00 0.14 H new ATOM 419 N SER A 28 5.314 3.520 0.356 1.00 0.30 N ATOM 420 CA SER A 28 5.897 4.861 0.610 1.00 0.24 C ATOM 421 C SER A 28 7.117 4.742 1.507 1.00 0.24 C ATOM 422 O SER A 28 7.179 3.918 2.397 1.00 0.28 O ATOM 423 CB SER A 28 4.870 5.750 1.305 1.00 0.27 C ATOM 424 OG SER A 28 3.724 5.887 0.475 1.00 0.29 O ATOM 0 H SER A 28 4.349 3.395 0.663 1.00 0.30 H new ATOM 0 HA SER A 28 6.184 5.298 -0.347 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.588 5.317 2.264 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.302 6.729 1.512 1.00 0.27 H new ATOM 0 HG SER A 28 2.914 5.786 1.017 1.00 0.29 H new ATOM 430 N ALA A 29 8.084 5.585 1.281 1.00 0.20 N ATOM 431 CA ALA A 29 9.307 5.560 2.114 1.00 0.21 C ATOM 432 C ALA A 29 9.034 6.373 3.371 1.00 0.22 C ATOM 433 O ALA A 29 8.657 7.527 3.308 1.00 0.22 O ATOM 434 CB ALA A 29 10.471 6.184 1.326 1.00 0.19 C ATOM 0 H ALA A 29 8.075 6.294 0.548 1.00 0.20 H new ATOM 0 HA ALA A 29 9.573 4.537 2.380 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.374 6.167 1.936 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.640 5.613 0.413 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.226 7.215 1.069 1.00 0.19 H new ATOM 440 N THR A 30 9.213 5.781 4.511 1.00 0.23 N ATOM 441 CA THR A 30 8.959 6.528 5.762 1.00 0.24 C ATOM 442 C THR A 30 10.019 7.620 5.901 1.00 0.22 C ATOM 443 O THR A 30 9.784 8.662 6.478 1.00 0.22 O ATOM 444 CB THR A 30 9.024 5.573 6.955 1.00 0.28 C ATOM 445 OG1 THR A 30 8.777 6.295 8.152 1.00 0.30 O ATOM 446 CG2 THR A 30 10.408 4.930 7.033 1.00 0.29 C ATOM 0 H THR A 30 9.523 4.816 4.630 1.00 0.23 H new ATOM 0 HA THR A 30 7.968 6.981 5.735 1.00 0.24 H new ATOM 0 HB THR A 30 8.271 4.795 6.830 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.817 5.684 8.917 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.446 4.251 7.885 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.603 4.373 6.116 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.164 5.706 7.153 1.00 0.29 H new ATOM 454 N TRP A 31 11.190 7.397 5.362 1.00 0.22 N ATOM 455 CA TRP A 31 12.254 8.436 5.470 1.00 0.21 C ATOM 456 C TRP A 31 11.973 9.573 4.485 1.00 0.19 C ATOM 457 O TRP A 31 12.549 10.639 4.580 1.00 0.22 O ATOM 458 CB TRP A 31 13.603 7.810 5.132 1.00 0.23 C ATOM 459 CG TRP A 31 13.563 7.256 3.745 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.233 5.986 3.422 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.828 7.940 2.493 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.340 5.831 2.050 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.686 7.016 1.432 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.187 9.261 2.181 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.894 7.393 0.107 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.390 9.645 0.851 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.244 8.713 -0.185 1.00 0.21 C ATOM 0 H TRP A 31 11.452 6.550 4.858 1.00 0.22 H new ATOM 0 HA TRP A 31 12.268 8.831 6.486 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.393 8.557 5.214 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.837 7.019 5.844 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.935 5.218 4.120 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.183 4.952 1.558 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.307 9.986 2.973 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.785 6.670 -0.688 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.661 10.665 0.622 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.402 9.016 -1.210 1.00 0.21 H new ATOM 478 N CYS A 32 11.081 9.368 3.551 1.00 0.18 N ATOM 479 CA CYS A 32 10.756 10.453 2.576 1.00 0.17 C ATOM 480 C CYS A 32 9.606 11.288 3.141 1.00 0.17 C ATOM 481 O CYS A 32 8.508 10.806 3.340 1.00 0.20 O ATOM 482 CB CYS A 32 10.353 9.833 1.231 1.00 0.18 C ATOM 483 SG CYS A 32 10.424 11.099 -0.071 1.00 0.26 S ATOM 0 H CYS A 32 10.564 8.498 3.421 1.00 0.18 H new ATOM 0 HA CYS A 32 11.626 11.090 2.417 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.020 9.007 0.986 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.346 9.421 1.297 1.00 0.18 H new ATOM 488 N GLY A 33 9.862 12.537 3.424 1.00 0.20 N ATOM 489 CA GLY A 33 8.804 13.411 4.003 1.00 0.23 C ATOM 490 C GLY A 33 7.607 13.541 3.054 1.00 0.21 C ATOM 491 O GLY A 33 6.484 13.293 3.446 1.00 0.22 O ATOM 0 H GLY A 33 10.764 12.991 3.278 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.472 13.000 4.956 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.217 14.399 4.208 1.00 0.23 H new ATOM 495 N PRO A 34 7.819 13.933 1.821 1.00 0.21 N ATOM 496 CA PRO A 34 6.684 14.075 0.871 1.00 0.22 C ATOM 497 C PRO A 34 5.794 12.822 0.842 1.00 0.22 C ATOM 498 O PRO A 34 4.593 12.906 0.693 1.00 0.24 O ATOM 499 CB PRO A 34 7.416 14.270 -0.467 1.00 0.29 C ATOM 500 CG PRO A 34 8.848 14.729 -0.147 1.00 0.31 C ATOM 501 CD PRO A 34 9.172 14.282 1.289 1.00 0.24 C ATOM 0 HA PRO A 34 6.002 14.885 1.129 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.429 13.340 -1.036 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.904 15.011 -1.080 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.556 14.293 -0.852 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.932 15.812 -0.239 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.850 13.428 1.307 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.645 15.077 1.866 1.00 0.24 H new ATOM 509 N ALA A 35 6.383 11.665 0.981 1.00 0.21 N ATOM 510 CA ALA A 35 5.579 10.408 0.952 1.00 0.23 C ATOM 511 C ALA A 35 4.876 10.203 2.301 1.00 0.23 C ATOM 512 O ALA A 35 3.697 9.917 2.357 1.00 0.22 O ATOM 513 CB ALA A 35 6.512 9.223 0.645 1.00 0.24 C ATOM 0 H ALA A 35 7.386 11.535 1.113 1.00 0.21 H new ATOM 0 HA ALA A 35 4.816 10.476 0.176 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.932 8.300 0.622 1.00 0.24 H new ATOM 0 HB2 ALA A 35 6.989 9.376 -0.323 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.277 9.152 1.419 1.00 0.24 H new ATOM 519 N LYS A 36 5.587 10.353 3.385 1.00 0.25 N ATOM 520 CA LYS A 36 4.955 10.175 4.726 1.00 0.27 C ATOM 521 C LYS A 36 3.815 11.183 4.887 1.00 0.26 C ATOM 522 O LYS A 36 2.825 10.924 5.540 1.00 0.27 O ATOM 523 CB LYS A 36 5.997 10.393 5.827 1.00 0.33 C ATOM 524 CG LYS A 36 5.400 9.990 7.180 1.00 0.37 C ATOM 525 CD LYS A 36 6.369 10.368 8.307 1.00 0.44 C ATOM 526 CE LYS A 36 5.794 9.909 9.649 1.00 0.89 C ATOM 527 NZ LYS A 36 6.766 10.215 10.739 1.00 1.59 N ATOM 0 H LYS A 36 6.579 10.591 3.401 1.00 0.25 H new ATOM 0 HA LYS A 36 4.560 9.162 4.807 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.889 9.802 5.620 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.305 11.438 5.850 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.442 10.489 7.329 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.207 8.917 7.198 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.340 9.903 8.137 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.529 11.446 8.317 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.846 10.412 9.841 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.588 8.839 9.621 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.375 9.903 11.651 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.660 9.716 10.557 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.941 11.240 10.770 1.00 1.59 H new ATOM 541 N MET A 37 3.957 12.334 4.290 1.00 0.28 N ATOM 542 CA MET A 37 2.902 13.384 4.393 1.00 0.30 C ATOM 543 C MET A 37 1.580 12.862 3.832 1.00 0.25 C ATOM 544 O MET A 37 0.526 13.297 4.233 1.00 0.25 O ATOM 545 CB MET A 37 3.336 14.621 3.601 1.00 0.38 C ATOM 546 CG MET A 37 2.328 15.758 3.799 1.00 0.44 C ATOM 547 SD MET A 37 0.903 15.494 2.713 1.00 1.54 S ATOM 548 CE MET A 37 0.190 17.148 2.857 1.00 2.10 C ATOM 0 H MET A 37 4.768 12.596 3.729 1.00 0.28 H new ATOM 0 HA MET A 37 2.764 13.646 5.442 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.325 14.942 3.927 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.414 14.375 2.542 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.005 15.795 4.839 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.796 16.717 3.576 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.716 17.207 2.254 1.00 2.10 H new ATOM 0 HE2 MET A 37 -0.054 17.349 3.900 1.00 2.10 H new ATOM 0 HE3 MET A 37 0.910 17.886 2.504 1.00 2.10 H new ATOM 558 N ILE A 38 1.635 11.964 2.889 1.00 0.23 N ATOM 559 CA ILE A 38 0.383 11.417 2.271 1.00 0.25 C ATOM 560 C ILE A 38 -0.235 10.320 3.153 1.00 0.26 C ATOM 561 O ILE A 38 -1.274 9.778 2.834 1.00 0.31 O ATOM 562 CB ILE A 38 0.691 10.827 0.882 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.564 11.808 0.088 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.619 10.579 0.119 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.058 11.148 -1.202 1.00 0.49 C ATOM 0 H ILE A 38 2.501 11.578 2.512 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.327 12.238 2.177 1.00 0.25 H new ATOM 0 HB ILE A 38 1.222 9.883 1.005 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.993 12.705 -0.149 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.414 12.122 0.693 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.395 10.162 -0.863 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.239 9.878 0.678 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.154 11.521 -0.001 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.676 11.853 -1.758 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.647 10.264 -0.956 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.203 10.856 -1.812 1.00 0.49 H new ATOM 577 N LYS A 39 0.400 9.939 4.229 1.00 0.27 N ATOM 578 CA LYS A 39 -0.182 8.832 5.045 1.00 0.34 C ATOM 579 C LYS A 39 -1.595 9.152 5.587 1.00 0.30 C ATOM 580 O LYS A 39 -2.370 8.243 5.769 1.00 0.33 O ATOM 581 CB LYS A 39 0.758 8.411 6.208 1.00 0.46 C ATOM 582 CG LYS A 39 0.680 9.357 7.432 1.00 0.50 C ATOM 583 CD LYS A 39 1.201 8.635 8.690 1.00 0.65 C ATOM 584 CE LYS A 39 0.294 7.440 9.058 1.00 0.80 C ATOM 585 NZ LYS A 39 0.915 6.177 8.559 1.00 0.75 N ATOM 0 H LYS A 39 1.275 10.334 4.573 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.283 7.991 4.359 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.504 7.399 6.523 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.785 8.383 5.844 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.271 10.254 7.247 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.349 9.679 7.588 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.218 8.284 8.517 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.243 9.335 9.524 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.159 7.390 10.138 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.695 7.571 8.619 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.214 5.639 8.010 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.728 6.406 7.952 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.236 5.605 9.366 1.00 0.75 H new ATOM 599 N PRO A 40 -1.956 10.387 5.893 1.00 0.26 N ATOM 600 CA PRO A 40 -3.316 10.641 6.445 1.00 0.25 C ATOM 601 C PRO A 40 -4.419 10.198 5.486 1.00 0.20 C ATOM 602 O PRO A 40 -5.441 9.707 5.903 1.00 0.21 O ATOM 603 CB PRO A 40 -3.303 12.168 6.626 1.00 0.26 C ATOM 604 CG PRO A 40 -1.838 12.588 6.646 1.00 0.28 C ATOM 605 CD PRO A 40 -1.115 11.603 5.729 1.00 0.27 C ATOM 0 HA PRO A 40 -3.523 10.087 7.361 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.837 12.660 5.813 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.801 12.453 7.553 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.719 13.612 6.292 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.434 12.551 7.657 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.087 11.948 4.695 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.083 11.435 6.037 1.00 0.27 H new ATOM 613 N PHE A 41 -4.224 10.359 4.203 1.00 0.16 N ATOM 614 CA PHE A 41 -5.283 9.925 3.254 1.00 0.13 C ATOM 615 C PHE A 41 -5.300 8.399 3.212 1.00 0.13 C ATOM 616 O PHE A 41 -6.312 7.764 3.411 1.00 0.15 O ATOM 617 CB PHE A 41 -4.971 10.444 1.851 1.00 0.14 C ATOM 618 CG PHE A 41 -5.120 11.941 1.802 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.112 12.755 2.322 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.262 12.515 1.229 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.240 14.147 2.273 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.392 13.908 1.178 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.380 14.724 1.701 1.00 0.37 C ATOM 0 H PHE A 41 -3.390 10.766 3.779 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.246 10.317 3.581 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.956 10.163 1.570 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.642 9.981 1.127 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.232 12.309 2.763 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.041 11.884 0.827 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.460 14.776 2.676 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.271 14.353 0.736 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.480 15.799 1.663 1.00 0.37 H new ATOM 633 N PHE A 42 -4.161 7.808 2.990 1.00 0.12 N ATOM 634 CA PHE A 42 -4.084 6.325 2.952 1.00 0.13 C ATOM 635 C PHE A 42 -4.543 5.766 4.301 1.00 0.14 C ATOM 636 O PHE A 42 -5.352 4.865 4.371 1.00 0.16 O ATOM 637 CB PHE A 42 -2.626 5.938 2.660 1.00 0.13 C ATOM 638 CG PHE A 42 -2.482 4.435 2.603 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.792 3.741 1.424 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.047 3.734 3.736 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.669 2.345 1.381 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.922 2.340 3.691 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.233 1.644 2.515 1.00 0.13 C ATOM 0 H PHE A 42 -3.277 8.292 2.833 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.730 5.913 2.177 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.309 6.376 1.714 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.973 6.343 3.433 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.125 4.281 0.550 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.808 4.269 4.643 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.910 1.809 0.475 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.585 1.800 4.564 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.137 0.569 2.482 1.00 0.13 H new ATOM 653 N HIS A 43 -4.043 6.318 5.370 1.00 0.16 N ATOM 654 CA HIS A 43 -4.437 5.845 6.731 1.00 0.18 C ATOM 655 C HIS A 43 -5.905 6.190 7.027 1.00 0.16 C ATOM 656 O HIS A 43 -6.640 5.393 7.571 1.00 0.16 O ATOM 657 CB HIS A 43 -3.527 6.532 7.756 1.00 0.23 C ATOM 658 CG HIS A 43 -3.878 6.069 9.137 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.241 4.994 9.734 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.847 6.469 10.018 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.840 4.776 10.919 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.826 5.650 11.143 1.00 0.31 N ATOM 0 H HIS A 43 -3.371 7.085 5.361 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.330 4.762 6.786 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.483 6.303 7.540 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.637 7.614 7.686 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.525 7.295 9.863 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.558 3.991 11.605 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.432 5.705 11.962 1.00 0.31 H new ATOM 670 N SER A 44 -6.334 7.378 6.688 1.00 0.15 N ATOM 671 CA SER A 44 -7.750 7.772 6.967 1.00 0.15 C ATOM 672 C SER A 44 -8.721 6.896 6.173 1.00 0.13 C ATOM 673 O SER A 44 -9.785 6.547 6.643 1.00 0.15 O ATOM 674 CB SER A 44 -7.979 9.237 6.594 1.00 0.18 C ATOM 675 OG SER A 44 -7.176 10.067 7.426 1.00 0.22 O ATOM 0 H SER A 44 -5.767 8.092 6.231 1.00 0.15 H new ATOM 0 HA SER A 44 -7.932 7.635 8.033 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.727 9.401 5.546 1.00 0.18 H new ATOM 0 HB3 SER A 44 -9.032 9.494 6.713 1.00 0.18 H new ATOM 0 HG SER A 44 -6.244 10.027 7.126 1.00 0.22 H new ATOM 681 N LEU A 45 -8.374 6.568 4.959 1.00 0.12 N ATOM 682 CA LEU A 45 -9.286 5.746 4.111 1.00 0.14 C ATOM 683 C LEU A 45 -9.524 4.377 4.743 1.00 0.13 C ATOM 684 O LEU A 45 -10.514 3.728 4.472 1.00 0.15 O ATOM 685 CB LEU A 45 -8.678 5.556 2.724 1.00 0.16 C ATOM 686 CG LEU A 45 -8.714 6.883 1.941 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.692 6.826 0.805 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.110 7.125 1.349 1.00 0.22 C ATOM 0 H LEU A 45 -7.495 6.834 4.515 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.238 6.271 4.029 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.650 5.206 2.815 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.229 4.789 2.179 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.475 7.698 2.624 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.714 7.763 0.248 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.695 6.674 1.219 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.937 6.001 0.136 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.114 8.067 0.800 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.365 6.309 0.672 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.844 7.171 2.154 1.00 0.22 H new ATOM 700 N SER A 46 -8.629 3.915 5.571 1.00 0.12 N ATOM 701 CA SER A 46 -8.841 2.578 6.184 1.00 0.12 C ATOM 702 C SER A 46 -10.207 2.569 6.857 1.00 0.14 C ATOM 703 O SER A 46 -10.922 1.589 6.816 1.00 0.16 O ATOM 704 CB SER A 46 -7.749 2.294 7.220 1.00 0.13 C ATOM 705 OG SER A 46 -6.480 2.276 6.578 1.00 0.14 O ATOM 0 H SER A 46 -7.773 4.398 5.846 1.00 0.12 H new ATOM 0 HA SER A 46 -8.796 1.806 5.415 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.764 3.057 7.998 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.935 1.337 7.708 1.00 0.13 H new ATOM 0 HG SER A 46 -5.781 2.096 7.241 1.00 0.14 H new ATOM 711 N GLU A 47 -10.584 3.655 7.465 1.00 0.15 N ATOM 712 CA GLU A 47 -11.918 3.710 8.119 1.00 0.18 C ATOM 713 C GLU A 47 -12.985 4.063 7.067 1.00 0.18 C ATOM 714 O GLU A 47 -14.164 3.854 7.279 1.00 0.21 O ATOM 715 CB GLU A 47 -11.907 4.779 9.220 1.00 0.22 C ATOM 716 CG GLU A 47 -11.023 4.320 10.387 1.00 0.23 C ATOM 717 CD GLU A 47 -11.625 3.077 11.048 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.799 2.824 10.831 1.00 2.05 O ATOM 719 OE2 GLU A 47 -10.901 2.400 11.758 1.00 2.16 O ATOM 0 H GLU A 47 -10.027 4.507 7.538 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.148 2.741 8.561 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.534 5.722 8.819 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.922 4.961 9.572 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.018 4.099 10.027 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.930 5.122 11.120 1.00 0.23 H new ATOM 726 N LYS A 48 -12.590 4.597 5.931 1.00 0.17 N ATOM 727 CA LYS A 48 -13.604 4.948 4.895 1.00 0.19 C ATOM 728 C LYS A 48 -14.044 3.665 4.216 1.00 0.18 C ATOM 729 O LYS A 48 -15.199 3.480 3.893 1.00 0.21 O ATOM 730 CB LYS A 48 -13.007 5.890 3.852 1.00 0.20 C ATOM 731 CG LYS A 48 -14.111 6.332 2.889 1.00 0.30 C ATOM 732 CD LYS A 48 -13.520 7.228 1.805 1.00 0.82 C ATOM 733 CE LYS A 48 -14.643 7.717 0.891 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.066 8.572 -0.188 1.00 1.78 N ATOM 0 H LYS A 48 -11.622 4.801 5.684 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.449 5.450 5.367 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.563 6.758 4.339 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.209 5.388 3.305 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.582 5.460 2.436 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.888 6.868 3.433 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.007 8.077 2.257 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.777 6.678 1.227 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.168 6.867 0.455 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.375 8.283 1.467 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.829 8.906 -0.811 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.584 9.389 0.237 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.383 8.017 -0.743 1.00 1.78 H new ATOM 748 N TYR A 49 -13.122 2.760 4.029 1.00 0.16 N ATOM 749 CA TYR A 49 -13.457 1.445 3.408 1.00 0.17 C ATOM 750 C TYR A 49 -13.016 0.379 4.389 1.00 0.16 C ATOM 751 O TYR A 49 -12.118 -0.399 4.134 1.00 0.16 O ATOM 752 CB TYR A 49 -12.702 1.273 2.088 1.00 0.17 C ATOM 753 CG TYR A 49 -13.178 2.306 1.094 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.467 2.209 0.552 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.338 3.359 0.715 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.912 3.165 -0.367 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.784 4.313 -0.205 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.070 4.216 -0.746 1.00 0.21 C ATOM 759 OH TYR A 49 -14.505 5.156 -1.660 1.00 0.25 O ATOM 0 H TYR A 49 -12.141 2.876 4.282 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.524 1.376 3.195 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.630 1.380 2.254 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.865 0.271 1.692 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.116 1.397 0.844 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.345 3.435 1.133 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.906 3.092 -0.784 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.135 5.125 -0.498 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.909 5.934 -1.638 1.00 0.25 H new ATOM 769 N SER A 50 -13.654 0.344 5.522 1.00 0.17 N ATOM 770 CA SER A 50 -13.294 -0.648 6.554 1.00 0.18 C ATOM 771 C SER A 50 -13.541 -2.043 5.992 1.00 0.19 C ATOM 772 O SER A 50 -13.137 -3.038 6.560 1.00 0.21 O ATOM 773 CB SER A 50 -14.147 -0.405 7.795 1.00 0.20 C ATOM 774 OG SER A 50 -15.491 -0.783 7.529 1.00 0.22 O ATOM 0 H SER A 50 -14.418 0.970 5.775 1.00 0.17 H new ATOM 0 HA SER A 50 -12.244 -0.557 6.831 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.756 -0.979 8.636 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.103 0.646 8.079 1.00 0.20 H new ATOM 0 HG SER A 50 -16.038 -0.628 8.327 1.00 0.22 H new ATOM 780 N ASN A 51 -14.180 -2.121 4.854 1.00 0.20 N ATOM 781 CA ASN A 51 -14.432 -3.448 4.231 1.00 0.23 C ATOM 782 C ASN A 51 -13.242 -3.775 3.333 1.00 0.19 C ATOM 783 O ASN A 51 -13.247 -4.734 2.588 1.00 0.22 O ATOM 784 CB ASN A 51 -15.714 -3.393 3.395 1.00 0.32 C ATOM 785 CG ASN A 51 -16.104 -4.811 2.972 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.485 -5.619 3.796 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.031 -5.149 1.712 1.00 0.27 N ATOM 0 H ASN A 51 -14.537 -1.321 4.331 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.552 -4.213 4.998 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.519 -2.939 3.973 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.561 -2.768 2.515 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.294 -6.090 1.420 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.711 -4.471 1.020 1.00 0.27 H new ATOM 794 N VAL A 52 -12.209 -2.971 3.424 1.00 0.21 N ATOM 795 CA VAL A 52 -10.975 -3.190 2.615 1.00 0.17 C ATOM 796 C VAL A 52 -9.777 -3.190 3.564 1.00 0.13 C ATOM 797 O VAL A 52 -9.769 -2.484 4.552 1.00 0.14 O ATOM 798 CB VAL A 52 -10.837 -2.062 1.589 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.463 -2.141 0.901 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.955 -2.196 0.548 1.00 0.24 C ATOM 0 H VAL A 52 -12.172 -2.157 4.038 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.025 -4.141 2.084 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.918 -1.098 2.091 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.374 -1.335 0.173 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.676 -2.044 1.648 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.365 -3.101 0.394 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.865 -1.397 -0.187 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.872 -3.161 0.047 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.924 -2.126 1.043 1.00 0.24 H new ATOM 810 N ILE A 53 -8.773 -3.988 3.295 1.00 0.11 N ATOM 811 CA ILE A 53 -7.588 -4.029 4.216 1.00 0.09 C ATOM 812 C ILE A 53 -6.454 -3.175 3.622 1.00 0.09 C ATOM 813 O ILE A 53 -6.010 -3.418 2.517 1.00 0.12 O ATOM 814 CB ILE A 53 -7.103 -5.481 4.343 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.296 -6.400 4.673 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.040 -5.589 5.456 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.027 -5.918 5.933 1.00 0.15 C ATOM 0 H ILE A 53 -8.719 -4.608 2.487 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.869 -3.641 5.195 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.659 -5.791 3.397 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.988 -6.420 3.831 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.944 -7.421 4.820 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.703 -6.622 5.538 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.192 -4.949 5.213 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.473 -5.272 6.405 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.864 -6.583 6.145 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.338 -5.922 6.778 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.399 -4.906 5.773 1.00 0.15 H new ATOM 829 N PHE A 54 -5.977 -2.184 4.345 1.00 0.08 N ATOM 830 CA PHE A 54 -4.859 -1.322 3.813 1.00 0.09 C ATOM 831 C PHE A 54 -3.540 -1.716 4.492 1.00 0.09 C ATOM 832 O PHE A 54 -3.458 -1.787 5.703 1.00 0.12 O ATOM 833 CB PHE A 54 -5.127 0.154 4.138 1.00 0.10 C ATOM 834 CG PHE A 54 -6.335 0.663 3.384 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.616 0.251 3.761 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.176 1.568 2.324 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.738 0.740 3.083 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.300 2.052 1.643 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.580 1.639 2.024 1.00 0.10 C ATOM 0 H PHE A 54 -6.310 -1.933 5.276 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.799 -1.465 2.734 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.287 0.271 5.210 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.253 0.752 3.879 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.740 -0.446 4.577 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.187 1.891 2.033 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.727 0.423 3.378 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.178 2.744 0.823 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.447 2.014 1.500 1.00 0.10 H new ATOM 849 N LEU A 55 -2.500 -1.963 3.724 1.00 0.09 N ATOM 850 CA LEU A 55 -1.168 -2.337 4.319 1.00 0.11 C ATOM 851 C LEU A 55 -0.157 -1.218 4.080 1.00 0.10 C ATOM 852 O LEU A 55 -0.113 -0.613 3.026 1.00 0.10 O ATOM 853 CB LEU A 55 -0.603 -3.631 3.691 1.00 0.12 C ATOM 854 CG LEU A 55 -1.381 -4.881 4.145 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.885 -4.723 3.909 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.865 -6.098 3.371 1.00 0.22 C ATOM 0 H LEU A 55 -2.516 -1.922 2.705 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.328 -2.497 5.385 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.643 -3.554 2.604 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.447 -3.738 3.964 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.223 -5.016 5.215 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.402 -5.623 4.241 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.253 -3.865 4.471 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.072 -4.568 2.846 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.410 -6.988 3.686 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.015 -5.940 2.303 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.198 -6.234 3.572 1.00 0.22 H new ATOM 868 N GLU A 56 0.687 -0.979 5.049 1.00 0.12 N ATOM 869 CA GLU A 56 1.751 0.056 4.909 1.00 0.13 C ATOM 870 C GLU A 56 3.081 -0.679 4.843 1.00 0.13 C ATOM 871 O GLU A 56 3.347 -1.556 5.643 1.00 0.14 O ATOM 872 CB GLU A 56 1.738 0.997 6.112 1.00 0.15 C ATOM 873 CG GLU A 56 2.693 2.162 5.845 1.00 0.17 C ATOM 874 CD GLU A 56 2.766 3.060 7.083 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.503 2.717 7.994 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.081 4.070 7.103 1.00 1.13 O ATOM 0 H GLU A 56 0.683 -1.466 5.945 1.00 0.12 H new ATOM 0 HA GLU A 56 1.588 0.656 4.013 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.729 1.370 6.287 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.040 0.461 7.012 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.685 1.783 5.599 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.349 2.738 4.985 1.00 0.17 H new ATOM 883 N VAL A 57 3.900 -0.368 3.875 1.00 0.12 N ATOM 884 CA VAL A 57 5.204 -1.087 3.726 1.00 0.12 C ATOM 885 C VAL A 57 6.363 -0.091 3.610 1.00 0.11 C ATOM 886 O VAL A 57 6.296 0.874 2.876 1.00 0.13 O ATOM 887 CB VAL A 57 5.126 -1.925 2.458 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.389 -2.756 2.308 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.921 -2.854 2.548 1.00 0.14 C ATOM 0 H VAL A 57 3.724 0.355 3.177 1.00 0.12 H new ATOM 0 HA VAL A 57 5.384 -1.713 4.600 1.00 0.12 H new ATOM 0 HB VAL A 57 5.026 -1.266 1.595 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.326 -3.353 1.398 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.254 -2.096 2.249 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.494 -3.416 3.169 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.859 -3.458 1.643 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.029 -3.508 3.413 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.012 -2.262 2.652 1.00 0.14 H new ATOM 899 N ASP A 58 7.429 -0.330 4.328 1.00 0.10 N ATOM 900 CA ASP A 58 8.611 0.581 4.273 1.00 0.09 C ATOM 901 C ASP A 58 9.620 0.035 3.267 1.00 0.09 C ATOM 902 O ASP A 58 10.138 -1.050 3.432 1.00 0.09 O ATOM 903 CB ASP A 58 9.261 0.608 5.652 1.00 0.10 C ATOM 904 CG ASP A 58 10.319 1.712 5.704 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.540 2.342 4.682 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.886 1.910 6.765 1.00 1.02 O ATOM 0 H ASP A 58 7.532 -1.126 4.957 1.00 0.10 H new ATOM 0 HA ASP A 58 8.299 1.582 3.976 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.504 0.780 6.418 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.719 -0.358 5.868 1.00 0.10 H new ATOM 911 N VAL A 59 9.940 0.772 2.245 1.00 0.09 N ATOM 912 CA VAL A 59 10.938 0.249 1.274 1.00 0.10 C ATOM 913 C VAL A 59 12.297 0.185 1.970 1.00 0.11 C ATOM 914 O VAL A 59 13.215 -0.465 1.509 1.00 0.12 O ATOM 915 CB VAL A 59 11.023 1.169 0.051 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.664 1.219 -0.650 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.424 2.577 0.483 1.00 0.16 C ATOM 0 H VAL A 59 9.563 1.697 2.040 1.00 0.09 H new ATOM 0 HA VAL A 59 10.639 -0.743 0.936 1.00 0.10 H new ATOM 0 HB VAL A 59 11.774 0.778 -0.636 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.727 1.874 -1.519 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.383 0.216 -0.971 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.913 1.603 0.040 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.482 3.224 -0.393 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.681 2.971 1.176 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.396 2.544 0.974 1.00 0.16 H new ATOM 927 N ASP A 60 12.434 0.871 3.079 1.00 0.10 N ATOM 928 CA ASP A 60 13.738 0.863 3.816 1.00 0.12 C ATOM 929 C ASP A 60 13.761 -0.209 4.920 1.00 0.13 C ATOM 930 O ASP A 60 14.734 -0.924 5.069 1.00 0.15 O ATOM 931 CB ASP A 60 13.952 2.244 4.445 1.00 0.14 C ATOM 932 CG ASP A 60 14.472 3.222 3.387 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.270 2.960 2.216 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.088 4.203 3.770 1.00 1.08 O ATOM 0 H ASP A 60 11.700 1.436 3.506 1.00 0.10 H new ATOM 0 HA ASP A 60 14.534 0.630 3.109 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.015 2.612 4.864 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.663 2.173 5.268 1.00 0.14 H new ATOM 939 N ASP A 61 12.711 -0.339 5.691 1.00 0.13 N ATOM 940 CA ASP A 61 12.706 -1.374 6.778 1.00 0.15 C ATOM 941 C ASP A 61 12.016 -2.628 6.254 1.00 0.14 C ATOM 942 O ASP A 61 12.109 -3.694 6.829 1.00 0.19 O ATOM 943 CB ASP A 61 11.955 -0.840 8.001 1.00 0.16 C ATOM 944 CG ASP A 61 12.677 0.397 8.538 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.786 0.651 8.096 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.109 1.071 9.381 1.00 1.01 O ATOM 0 H ASP A 61 11.861 0.221 5.619 1.00 0.13 H new ATOM 0 HA ASP A 61 13.729 -1.609 7.071 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.930 -0.588 7.731 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.902 -1.608 8.773 1.00 0.16 H new ATOM 951 N ALA A 62 11.329 -2.494 5.151 1.00 0.11 N ATOM 952 CA ALA A 62 10.622 -3.651 4.530 1.00 0.12 C ATOM 953 C ALA A 62 11.129 -3.777 3.089 1.00 0.11 C ATOM 954 O ALA A 62 10.383 -4.051 2.171 1.00 0.12 O ATOM 955 CB ALA A 62 9.104 -3.394 4.557 1.00 0.14 C ATOM 0 H ALA A 62 11.226 -1.614 4.645 1.00 0.11 H new ATOM 0 HA ALA A 62 10.816 -4.575 5.074 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.584 -4.238 4.104 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.773 -3.276 5.589 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.879 -2.486 3.998 1.00 0.14 H new ATOM 961 N GLN A 63 12.401 -3.544 2.896 1.00 0.11 N ATOM 962 CA GLN A 63 12.990 -3.609 1.527 1.00 0.12 C ATOM 963 C GLN A 63 12.798 -5.005 0.940 1.00 0.12 C ATOM 964 O GLN A 63 12.795 -5.186 -0.259 1.00 0.14 O ATOM 965 CB GLN A 63 14.486 -3.275 1.599 1.00 0.13 C ATOM 966 CG GLN A 63 15.222 -4.352 2.403 1.00 0.15 C ATOM 967 CD GLN A 63 16.674 -3.924 2.620 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.165 -3.038 1.950 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.388 -4.524 3.534 1.00 1.43 N ATOM 0 H GLN A 63 13.063 -3.309 3.636 1.00 0.11 H new ATOM 0 HA GLN A 63 12.487 -2.886 0.885 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.902 -3.211 0.594 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.628 -2.300 2.065 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.729 -4.504 3.363 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.188 -5.304 1.873 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.975 -5.268 4.097 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.358 -4.249 3.685 1.00 1.43 H new ATOM 978 N ASP A 64 12.625 -5.992 1.767 1.00 0.13 N ATOM 979 CA ASP A 64 12.416 -7.363 1.244 1.00 0.13 C ATOM 980 C ASP A 64 11.088 -7.409 0.495 1.00 0.15 C ATOM 981 O ASP A 64 10.960 -8.054 -0.527 1.00 0.16 O ATOM 982 CB ASP A 64 12.406 -8.351 2.413 1.00 0.17 C ATOM 983 CG ASP A 64 11.449 -7.862 3.500 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.274 -7.748 3.213 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.910 -7.621 4.603 1.00 1.02 O ATOM 0 H ASP A 64 12.619 -5.908 2.783 1.00 0.13 H new ATOM 0 HA ASP A 64 13.220 -7.635 0.561 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.100 -9.337 2.064 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.411 -8.455 2.821 1.00 0.17 H new ATOM 990 N VAL A 65 10.100 -6.718 0.986 1.00 0.17 N ATOM 991 CA VAL A 65 8.783 -6.715 0.299 1.00 0.22 C ATOM 992 C VAL A 65 8.886 -5.913 -1.005 1.00 0.22 C ATOM 993 O VAL A 65 8.367 -6.301 -2.033 1.00 0.26 O ATOM 994 CB VAL A 65 7.749 -6.032 1.197 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.348 -6.282 0.636 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.845 -6.575 2.626 1.00 0.32 C ATOM 0 H VAL A 65 10.149 -6.155 1.835 1.00 0.17 H new ATOM 0 HA VAL A 65 8.487 -7.743 0.087 1.00 0.22 H new ATOM 0 HB VAL A 65 7.946 -4.960 1.220 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.609 -5.797 1.273 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.282 -5.874 -0.372 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.154 -7.354 0.607 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.104 -6.080 3.254 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.657 -7.649 2.621 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.842 -6.383 3.022 1.00 0.32 H new ATOM 1006 N ALA A 66 9.525 -4.777 -0.952 1.00 0.19 N ATOM 1007 CA ALA A 66 9.644 -3.917 -2.161 1.00 0.22 C ATOM 1008 C ALA A 66 10.590 -4.541 -3.192 1.00 0.23 C ATOM 1009 O ALA A 66 10.329 -4.518 -4.379 1.00 0.26 O ATOM 1010 CB ALA A 66 10.169 -2.540 -1.745 1.00 0.25 C ATOM 0 H ALA A 66 9.974 -4.405 -0.115 1.00 0.19 H new ATOM 0 HA ALA A 66 8.660 -3.821 -2.620 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.259 -1.904 -2.625 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.476 -2.085 -1.038 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.146 -2.650 -1.275 1.00 0.25 H new ATOM 1016 N SER A 67 11.692 -5.082 -2.756 1.00 0.21 N ATOM 1017 CA SER A 67 12.648 -5.685 -3.727 1.00 0.23 C ATOM 1018 C SER A 67 11.947 -6.811 -4.488 1.00 0.23 C ATOM 1019 O SER A 67 12.210 -7.048 -5.652 1.00 0.24 O ATOM 1020 CB SER A 67 13.849 -6.246 -2.967 1.00 0.23 C ATOM 1021 OG SER A 67 13.422 -7.337 -2.160 1.00 0.22 O ATOM 0 H SER A 67 11.972 -5.133 -1.776 1.00 0.21 H new ATOM 0 HA SER A 67 12.988 -4.928 -4.433 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.617 -6.575 -3.667 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.296 -5.470 -2.345 1.00 0.23 H new ATOM 0 HG SER A 67 12.514 -7.166 -1.832 1.00 0.22 H new ATOM 1027 N GLU A 68 11.044 -7.492 -3.842 1.00 0.23 N ATOM 1028 CA GLU A 68 10.306 -8.590 -4.519 1.00 0.25 C ATOM 1029 C GLU A 68 9.541 -8.014 -5.708 1.00 0.22 C ATOM 1030 O GLU A 68 9.429 -8.632 -6.748 1.00 0.24 O ATOM 1031 CB GLU A 68 9.314 -9.218 -3.537 1.00 0.29 C ATOM 1032 CG GLU A 68 8.680 -10.460 -4.171 1.00 0.32 C ATOM 1033 CD GLU A 68 7.588 -11.006 -3.252 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.172 -10.283 -2.363 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.182 -12.139 -3.459 1.00 2.06 O ATOM 0 H GLU A 68 10.785 -7.333 -2.868 1.00 0.23 H new ATOM 0 HA GLU A 68 11.008 -9.350 -4.862 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.824 -9.489 -2.613 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.541 -8.496 -3.274 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.258 -10.208 -5.144 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.441 -11.222 -4.341 1.00 0.32 H new ATOM 1042 N ALA A 69 8.994 -6.837 -5.552 1.00 0.20 N ATOM 1043 CA ALA A 69 8.216 -6.213 -6.660 1.00 0.20 C ATOM 1044 C ALA A 69 9.118 -5.324 -7.526 1.00 0.19 C ATOM 1045 O ALA A 69 8.656 -4.698 -8.458 1.00 0.20 O ATOM 1046 CB ALA A 69 7.088 -5.369 -6.067 1.00 0.23 C ATOM 0 H ALA A 69 9.054 -6.279 -4.700 1.00 0.20 H new ATOM 0 HA ALA A 69 7.804 -7.003 -7.288 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.515 -4.910 -6.873 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.432 -6.005 -5.472 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.511 -4.590 -5.433 1.00 0.23 H new ATOM 1052 N GLU A 70 10.389 -5.247 -7.226 1.00 0.18 N ATOM 1053 CA GLU A 70 11.292 -4.376 -8.043 1.00 0.18 C ATOM 1054 C GLU A 70 10.734 -2.967 -8.076 1.00 0.17 C ATOM 1055 O GLU A 70 10.589 -2.379 -9.129 1.00 0.18 O ATOM 1056 CB GLU A 70 11.405 -4.869 -9.488 1.00 0.22 C ATOM 1057 CG GLU A 70 11.965 -6.281 -9.522 1.00 0.24 C ATOM 1058 CD GLU A 70 13.402 -6.276 -8.996 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.031 -5.231 -9.054 1.00 2.02 O ATOM 1060 OE2 GLU A 70 13.853 -7.317 -8.548 1.00 2.02 O ATOM 0 H GLU A 70 10.840 -5.744 -6.458 1.00 0.18 H new ATOM 0 HA GLU A 70 12.279 -4.404 -7.581 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.425 -4.848 -9.964 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.051 -4.201 -10.058 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.347 -6.943 -8.915 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.941 -6.668 -10.541 1.00 0.24 H new ATOM 1067 N VAL A 71 10.412 -2.407 -6.954 1.00 0.15 N ATOM 1068 CA VAL A 71 9.852 -1.037 -6.988 1.00 0.14 C ATOM 1069 C VAL A 71 10.931 -0.101 -7.523 1.00 0.14 C ATOM 1070 O VAL A 71 12.076 -0.161 -7.118 1.00 0.16 O ATOM 1071 CB VAL A 71 9.447 -0.601 -5.581 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.717 0.739 -5.676 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.515 -1.653 -4.961 1.00 0.15 C ATOM 0 H VAL A 71 10.509 -2.828 -6.030 1.00 0.15 H new ATOM 0 HA VAL A 71 8.969 -1.009 -7.626 1.00 0.14 H new ATOM 0 HB VAL A 71 10.333 -0.500 -4.954 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.421 1.064 -4.678 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.379 1.483 -6.119 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.830 0.627 -6.299 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.228 -1.339 -3.957 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.622 -1.757 -5.578 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.032 -2.611 -4.907 1.00 0.15 H new ATOM 1083 N LYS A 72 10.576 0.749 -8.455 1.00 0.15 N ATOM 1084 CA LYS A 72 11.571 1.687 -9.048 1.00 0.16 C ATOM 1085 C LYS A 72 11.335 3.105 -8.514 1.00 0.15 C ATOM 1086 O LYS A 72 12.145 3.987 -8.715 1.00 0.16 O ATOM 1087 CB LYS A 72 11.418 1.677 -10.572 1.00 0.19 C ATOM 1088 CG LYS A 72 11.744 0.277 -11.143 1.00 0.23 C ATOM 1089 CD LYS A 72 13.265 0.086 -11.260 1.00 0.74 C ATOM 1090 CE LYS A 72 13.562 -1.188 -12.059 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.037 -1.396 -12.145 1.00 1.60 N ATOM 0 H LYS A 72 9.632 0.831 -8.831 1.00 0.15 H new ATOM 0 HA LYS A 72 12.578 1.371 -8.776 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.400 1.958 -10.842 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.082 2.420 -11.014 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.323 -0.493 -10.497 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.280 0.160 -12.122 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.714 0.949 -11.752 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.711 0.018 -10.268 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.091 -2.047 -11.580 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.137 -1.108 -13.060 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.235 -2.261 -12.688 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.475 -0.581 -12.620 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.431 -1.491 -11.187 1.00 1.60 H new ATOM 1105 N ALA A 73 10.235 3.343 -7.842 1.00 0.13 N ATOM 1106 CA ALA A 73 9.985 4.721 -7.321 1.00 0.13 C ATOM 1107 C ALA A 73 8.931 4.710 -6.203 1.00 0.11 C ATOM 1108 O ALA A 73 8.098 3.833 -6.128 1.00 0.12 O ATOM 1109 CB ALA A 73 9.505 5.600 -8.478 1.00 0.14 C ATOM 0 H ALA A 73 9.511 2.655 -7.635 1.00 0.13 H new ATOM 0 HA ALA A 73 10.910 5.116 -6.902 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.318 6.610 -8.114 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.270 5.630 -9.254 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.585 5.187 -8.891 1.00 0.14 H new ATOM 1115 N THR A 74 8.960 5.708 -5.349 1.00 0.11 N ATOM 1116 CA THR A 74 7.964 5.811 -4.228 1.00 0.11 C ATOM 1117 C THR A 74 7.362 7.225 -4.247 1.00 0.12 C ATOM 1118 O THR A 74 8.014 8.150 -4.682 1.00 0.15 O ATOM 1119 CB THR A 74 8.695 5.603 -2.887 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.529 6.721 -2.630 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.539 4.336 -2.943 1.00 0.14 C ATOM 0 H THR A 74 9.641 6.467 -5.381 1.00 0.11 H new ATOM 0 HA THR A 74 7.183 5.060 -4.345 1.00 0.11 H new ATOM 0 HB THR A 74 7.960 5.502 -2.088 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.994 6.593 -1.777 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.051 4.198 -1.991 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.895 3.478 -3.136 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.275 4.424 -3.742 1.00 0.14 H new ATOM 1129 N PRO A 75 6.160 7.426 -3.743 1.00 0.13 N ATOM 1130 CA PRO A 75 5.296 6.340 -3.187 1.00 0.10 C ATOM 1131 C PRO A 75 4.634 5.489 -4.279 1.00 0.09 C ATOM 1132 O PRO A 75 4.194 5.993 -5.294 1.00 0.10 O ATOM 1133 CB PRO A 75 4.257 7.143 -2.386 1.00 0.12 C ATOM 1134 CG PRO A 75 4.259 8.580 -2.938 1.00 0.15 C ATOM 1135 CD PRO A 75 5.582 8.798 -3.695 1.00 0.16 C ATOM 0 HA PRO A 75 5.851 5.612 -2.596 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.268 6.696 -2.484 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.505 7.139 -1.325 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.410 8.734 -3.604 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.162 9.300 -2.126 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.416 9.203 -4.693 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.237 9.496 -3.173 1.00 0.16 H new ATOM 1143 N THR A 76 4.538 4.200 -4.053 1.00 0.09 N ATOM 1144 CA THR A 76 3.884 3.290 -5.048 1.00 0.09 C ATOM 1145 C THR A 76 2.812 2.465 -4.350 1.00 0.10 C ATOM 1146 O THR A 76 3.027 1.902 -3.294 1.00 0.12 O ATOM 1147 CB THR A 76 4.920 2.348 -5.670 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.912 3.117 -6.325 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.239 1.418 -6.683 1.00 0.13 C ATOM 0 H THR A 76 4.888 3.736 -3.215 1.00 0.09 H new ATOM 0 HA THR A 76 3.435 3.894 -5.836 1.00 0.09 H new ATOM 0 HB THR A 76 5.378 1.745 -4.886 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.694 3.207 -5.741 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.982 0.751 -7.121 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.474 0.828 -6.178 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.777 2.014 -7.470 1.00 0.13 H new ATOM 1157 N PHE A 77 1.653 2.401 -4.939 1.00 0.10 N ATOM 1158 CA PHE A 77 0.532 1.619 -4.341 1.00 0.10 C ATOM 1159 C PHE A 77 0.299 0.367 -5.177 1.00 0.10 C ATOM 1160 O PHE A 77 0.188 0.427 -6.386 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.735 2.473 -4.347 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.486 3.715 -3.535 1.00 0.14 C ATOM 1163 CD1 PHE A 77 0.040 4.854 -4.154 1.00 0.14 C ATOM 1164 CD2 PHE A 77 -0.777 3.731 -2.163 1.00 0.18 C ATOM 1165 CE1 PHE A 77 0.279 6.013 -3.403 1.00 0.16 C ATOM 1166 CE2 PHE A 77 -0.538 4.888 -1.411 1.00 0.20 C ATOM 1167 CZ PHE A 77 -0.009 6.030 -2.030 1.00 0.19 C ATOM 0 H PHE A 77 1.429 2.862 -5.821 1.00 0.10 H new ATOM 0 HA PHE A 77 0.780 1.339 -3.317 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.007 2.738 -5.369 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.571 1.911 -3.931 1.00 0.13 H new ATOM 0 HD1 PHE A 77 0.262 4.840 -5.211 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -1.185 2.852 -1.687 1.00 0.18 H new ATOM 0 HE1 PHE A 77 0.685 6.892 -3.881 1.00 0.16 H new ATOM 0 HE2 PHE A 77 -0.761 4.901 -0.354 1.00 0.20 H new ATOM 0 HZ PHE A 77 0.177 6.922 -1.450 1.00 0.19 H new ATOM 1177 N GLN A 78 0.199 -0.770 -4.538 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.049 -2.042 -5.279 1.00 0.09 C ATOM 1179 C GLN A 78 -1.336 -2.647 -4.770 1.00 0.08 C ATOM 1180 O GLN A 78 -1.654 -2.574 -3.600 1.00 0.09 O ATOM 1181 CB GLN A 78 1.098 -3.027 -5.050 1.00 0.09 C ATOM 1182 CG GLN A 78 2.327 -2.566 -5.829 1.00 0.12 C ATOM 1183 CD GLN A 78 3.452 -3.593 -5.675 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.200 -4.762 -5.463 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.692 -3.199 -5.761 1.00 0.29 N ATOM 0 H GLN A 78 0.279 -0.872 -3.526 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.119 -1.833 -6.346 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.331 -3.090 -3.987 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.804 -4.026 -5.372 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.076 -2.443 -6.883 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.657 -1.593 -5.464 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.904 -2.217 -5.939 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.450 -3.873 -5.650 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.084 -3.235 -5.651 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.382 -3.848 -5.249 1.00 0.07 C ATOM 1196 C PHE A 79 -3.291 -5.363 -5.298 1.00 0.07 C ATOM 1197 O PHE A 79 -2.807 -5.943 -6.249 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.458 -3.361 -6.204 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.656 -1.885 -5.963 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.773 -0.957 -6.524 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.708 -1.450 -5.158 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.948 0.408 -6.280 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.882 -0.087 -4.913 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.003 0.843 -5.472 1.00 0.12 C ATOM 0 H PHE A 79 -1.855 -3.321 -6.641 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.626 -3.556 -4.227 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.162 -3.543 -7.237 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.389 -3.903 -6.039 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.957 -1.295 -7.145 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.388 -2.168 -4.724 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.269 1.126 -6.715 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.698 0.249 -4.290 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.138 1.897 -5.280 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.768 -6.002 -4.264 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.746 -7.486 -4.197 1.00 0.08 C ATOM 1216 C PHE A 80 -5.141 -7.998 -3.851 1.00 0.09 C ATOM 1217 O PHE A 80 -5.856 -7.405 -3.067 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.757 -7.933 -3.115 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.344 -7.730 -3.603 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.710 -8.756 -4.314 1.00 0.12 C ATOM 1221 CD2 PHE A 80 -0.660 -6.533 -3.339 1.00 0.11 C ATOM 1222 CE1 PHE A 80 0.605 -8.592 -4.761 1.00 0.14 C ATOM 1223 CE2 PHE A 80 0.657 -6.370 -3.791 1.00 0.13 C ATOM 1224 CZ PHE A 80 1.288 -7.400 -4.501 1.00 0.15 C ATOM 0 H PHE A 80 -4.179 -5.546 -3.449 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.438 -7.890 -5.161 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.922 -7.363 -2.200 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.920 -8.983 -2.870 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.238 -9.676 -4.518 1.00 0.12 H new ATOM 0 HD2 PHE A 80 -1.147 -5.741 -2.790 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.093 -9.386 -5.307 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.186 -5.450 -3.592 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.303 -7.273 -4.848 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.529 -9.109 -4.414 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.868 -9.680 -4.101 1.00 0.12 C ATOM 1236 C LYS A 81 -6.721 -11.200 -4.155 1.00 0.11 C ATOM 1237 O LYS A 81 -6.225 -11.747 -5.118 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.899 -9.196 -5.137 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.315 -9.527 -4.651 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.309 -9.493 -5.822 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.429 -8.069 -6.370 1.00 1.02 C ATOM 1242 NZ LYS A 81 -9.233 -7.748 -7.197 1.00 1.68 N ATOM 0 H LYS A 81 -4.974 -9.647 -5.079 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.217 -9.362 -3.118 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.798 -8.121 -5.290 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.714 -9.673 -6.099 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.325 -10.513 -4.187 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.620 -8.812 -3.887 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.976 -10.168 -6.611 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.285 -9.847 -5.491 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.334 -7.975 -6.970 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -10.516 -7.359 -5.548 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -9.533 -7.270 -8.071 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -8.598 -7.123 -6.661 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -8.731 -8.627 -7.438 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.102 -11.878 -3.110 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.957 -13.365 -3.076 1.00 0.13 C ATOM 1258 C LYS A 82 -5.477 -13.716 -3.276 1.00 0.13 C ATOM 1259 O LYS A 82 -5.144 -14.759 -3.804 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.807 -14.027 -4.172 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.293 -13.817 -3.872 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.124 -14.728 -4.774 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.604 -14.349 -4.680 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.396 -15.228 -5.586 1.00 1.22 N ATOM 0 H LYS A 82 -7.511 -11.466 -2.271 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.307 -13.738 -2.113 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.559 -13.601 -5.144 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.584 -15.093 -4.224 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.499 -14.037 -2.825 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.566 -12.775 -4.038 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.783 -14.641 -5.806 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.987 -15.768 -4.479 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.954 -14.456 -3.653 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.742 -13.304 -4.957 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.402 -14.973 -5.525 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.067 -15.104 -6.565 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.272 -16.221 -5.302 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.585 -12.853 -2.861 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.129 -13.134 -3.028 1.00 0.16 C ATOM 1280 C GLY A 83 -2.715 -12.871 -4.476 1.00 0.16 C ATOM 1281 O GLY A 83 -1.633 -13.241 -4.893 1.00 0.23 O ATOM 0 H GLY A 83 -4.804 -11.964 -2.412 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.548 -12.505 -2.354 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.916 -14.169 -2.761 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.571 -12.243 -5.250 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.242 -11.969 -6.688 1.00 0.15 C ATOM 1287 C GLN A 84 -3.048 -10.467 -6.903 1.00 0.12 C ATOM 1288 O GLN A 84 -3.867 -9.670 -6.506 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.408 -12.425 -7.583 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.754 -13.899 -7.326 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.551 -14.792 -7.626 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.528 -15.489 -8.620 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.550 -14.808 -6.796 1.00 2.07 N ATOM 0 H GLN A 84 -4.485 -11.908 -4.947 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.330 -12.509 -6.942 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.283 -11.804 -7.392 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.142 -12.287 -8.631 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -5.062 -14.031 -6.289 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.598 -14.194 -7.949 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.570 -14.222 -5.961 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.745 -15.406 -6.980 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.989 -10.085 -7.571 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.751 -8.634 -7.848 1.00 0.12 C ATOM 1304 C LYS A 85 -2.647 -8.222 -9.009 1.00 0.14 C ATOM 1305 O LYS A 85 -2.579 -8.787 -10.083 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.281 -8.436 -8.237 1.00 0.17 C ATOM 1307 CG LYS A 85 0.020 -6.946 -8.440 1.00 0.20 C ATOM 1308 CD LYS A 85 1.493 -6.776 -8.829 1.00 0.28 C ATOM 1309 CE LYS A 85 1.810 -5.289 -9.021 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.274 -5.112 -9.252 1.00 1.82 N ATOM 0 H LYS A 85 -1.277 -10.716 -7.938 1.00 0.12 H new ATOM 0 HA LYS A 85 -1.975 -8.030 -6.968 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.366 -8.842 -7.459 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.063 -8.986 -9.152 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.623 -6.536 -9.218 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.193 -6.392 -7.526 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.134 -7.197 -8.055 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.702 -7.324 -9.748 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.248 -4.894 -9.867 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.500 -4.725 -8.141 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.485 -4.102 -9.382 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.801 -5.473 -8.432 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.557 -5.637 -10.104 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.505 -7.262 -8.790 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.437 -6.811 -9.862 1.00 0.18 C ATOM 1326 C VAL A 86 -4.286 -5.304 -10.111 1.00 0.17 C ATOM 1327 O VAL A 86 -5.098 -4.709 -10.791 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.873 -7.119 -9.427 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.060 -8.637 -9.306 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.137 -6.471 -8.066 1.00 0.26 C ATOM 0 H VAL A 86 -3.600 -6.766 -7.904 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.202 -7.337 -10.787 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.569 -6.724 -10.167 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.082 -8.854 -8.996 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.866 -9.106 -10.271 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.365 -9.031 -8.565 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.158 -6.687 -7.752 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.439 -6.871 -7.331 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.002 -5.392 -8.144 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.273 -4.663 -9.579 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.151 -3.194 -9.839 1.00 0.17 C ATOM 1342 C GLY A 87 -1.850 -2.614 -9.275 1.00 0.12 C ATOM 1343 O GLY A 87 -1.298 -3.096 -8.304 1.00 0.17 O ATOM 0 H GLY A 87 -2.547 -5.077 -8.994 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.193 -3.012 -10.913 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.001 -2.676 -9.394 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.367 -1.569 -9.898 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.110 -0.908 -9.451 1.00 0.13 C ATOM 1349 C GLU A 88 -0.017 0.478 -10.087 1.00 0.11 C ATOM 1350 O GLU A 88 -0.334 0.670 -11.245 1.00 0.14 O ATOM 1351 CB GLU A 88 1.089 -1.787 -9.865 1.00 0.21 C ATOM 1352 CG GLU A 88 2.426 -1.015 -9.837 1.00 0.58 C ATOM 1353 CD GLU A 88 2.763 -0.567 -8.416 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.996 0.189 -7.852 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.786 -0.999 -7.911 1.00 1.93 O ATOM 0 H GLU A 88 -1.803 -1.140 -10.714 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.103 -0.791 -8.367 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.155 -2.645 -9.196 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.920 -2.178 -10.868 1.00 0.21 H new ATOM 0 HG2 GLU A 88 3.225 -1.648 -10.223 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.363 -0.146 -10.492 1.00 0.58 H new ATOM 1362 N PHE A 89 0.438 1.439 -9.337 1.00 0.10 N ATOM 1363 CA PHE A 89 0.593 2.815 -9.899 1.00 0.09 C ATOM 1364 C PHE A 89 1.498 3.638 -8.977 1.00 0.10 C ATOM 1365 O PHE A 89 1.651 3.338 -7.811 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.782 3.488 -10.074 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.317 4.055 -8.769 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.789 5.245 -8.255 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.362 3.410 -8.099 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.308 5.792 -7.073 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.879 3.952 -6.912 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.354 5.145 -6.400 1.00 0.14 C ATOM 0 H PHE A 89 0.710 1.336 -8.359 1.00 0.10 H new ATOM 0 HA PHE A 89 1.055 2.754 -10.884 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.701 4.289 -10.809 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.492 2.762 -10.470 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.020 5.743 -8.770 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.772 2.493 -8.496 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.902 6.713 -6.681 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.682 3.449 -6.393 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.754 5.566 -5.489 1.00 0.14 H new ATOM 1382 N SER A 90 2.114 4.665 -9.508 1.00 0.10 N ATOM 1383 CA SER A 90 3.034 5.526 -8.694 1.00 0.10 C ATOM 1384 C SER A 90 2.625 6.985 -8.814 1.00 0.09 C ATOM 1385 O SER A 90 1.939 7.377 -9.736 1.00 0.11 O ATOM 1386 CB SER A 90 4.469 5.390 -9.194 1.00 0.11 C ATOM 1387 OG SER A 90 4.532 5.798 -10.555 1.00 0.12 O ATOM 0 H SER A 90 2.019 4.949 -10.483 1.00 0.10 H new ATOM 0 HA SER A 90 2.970 5.201 -7.655 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.137 6.001 -8.588 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.804 4.358 -9.096 1.00 0.11 H new ATOM 0 HG SER A 90 5.453 5.714 -10.879 1.00 0.12 H new ATOM 1393 N GLY A 91 3.056 7.790 -7.881 1.00 0.09 N ATOM 1394 CA GLY A 91 2.724 9.246 -7.907 1.00 0.09 C ATOM 1395 C GLY A 91 2.064 9.637 -6.590 1.00 0.10 C ATOM 1396 O GLY A 91 1.250 8.914 -6.052 1.00 0.12 O ATOM 0 H GLY A 91 3.632 7.498 -7.091 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.629 9.834 -8.062 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.056 9.463 -8.740 1.00 0.09 H new ATOM 1400 N ALA A 92 2.408 10.780 -6.065 1.00 0.11 N ATOM 1401 CA ALA A 92 1.802 11.213 -4.782 1.00 0.14 C ATOM 1402 C ALA A 92 0.379 11.714 -5.028 1.00 0.13 C ATOM 1403 O ALA A 92 0.071 12.863 -4.785 1.00 0.17 O ATOM 1404 CB ALA A 92 2.647 12.346 -4.201 1.00 0.18 C ATOM 0 H ALA A 92 3.082 11.430 -6.470 1.00 0.11 H new ATOM 0 HA ALA A 92 1.769 10.375 -4.086 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.214 12.676 -3.257 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.663 11.991 -4.030 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.667 13.181 -4.902 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.502 10.849 -5.482 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.923 11.260 -5.716 1.00 0.14 C ATOM 1412 C ASN A 93 -2.829 10.423 -4.819 1.00 0.13 C ATOM 1413 O ASN A 93 -3.109 9.274 -5.095 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.316 11.027 -7.170 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.723 11.589 -7.387 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.697 11.006 -6.973 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.870 12.719 -8.010 1.00 0.75 N ATOM 0 H ASN A 93 -0.295 9.874 -5.700 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.028 12.321 -5.488 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.606 11.515 -7.838 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.293 9.962 -7.403 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.803 13.108 -8.147 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.053 13.217 -8.362 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.286 10.989 -3.747 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.173 10.235 -2.821 1.00 0.15 C ATOM 1426 C LYS A 94 -5.551 9.976 -3.444 1.00 0.15 C ATOM 1427 O LYS A 94 -6.138 8.932 -3.237 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.336 11.053 -1.541 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.732 12.519 -1.874 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.535 13.462 -1.657 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.024 14.906 -1.719 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.885 15.834 -1.468 1.00 1.06 N ATOM 0 H LYS A 94 -3.084 11.949 -3.467 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.720 9.266 -2.610 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.099 10.600 -0.908 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.404 11.042 -0.975 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.072 12.585 -2.908 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.566 12.829 -1.244 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.069 13.263 -0.692 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.776 13.288 -2.419 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.463 15.110 -2.696 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.807 15.067 -0.978 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.222 16.817 -1.511 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.485 15.646 -0.527 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.152 15.687 -2.191 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.073 10.897 -4.206 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.409 10.675 -4.820 1.00 0.15 C ATOM 1448 C GLU A 95 -7.352 9.453 -5.736 1.00 0.15 C ATOM 1449 O GLU A 95 -8.336 8.771 -5.941 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.816 11.909 -5.630 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.930 13.120 -4.700 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.121 12.924 -3.759 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.065 12.263 -4.161 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -9.069 13.440 -2.654 1.00 1.61 O ATOM 0 H GLU A 95 -5.633 11.790 -4.429 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.145 10.504 -4.034 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.079 12.104 -6.409 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.768 11.731 -6.130 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.012 13.238 -4.124 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.059 14.031 -5.284 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.209 9.188 -6.300 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.065 8.027 -7.221 1.00 0.15 C ATOM 1463 C LYS A 96 -6.380 6.741 -6.461 1.00 0.14 C ATOM 1464 O LYS A 96 -6.956 5.814 -6.994 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.625 7.993 -7.727 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.480 7.034 -8.914 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.172 7.348 -9.653 1.00 0.25 C ATOM 1468 CE LYS A 96 -2.983 6.369 -10.815 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.074 6.562 -11.812 1.00 1.45 N ATOM 0 H LYS A 96 -5.358 9.732 -6.161 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.751 8.118 -8.063 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.317 8.995 -8.025 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.960 7.682 -6.921 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.477 6.001 -8.565 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.329 7.140 -9.589 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.192 8.371 -10.028 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.329 7.277 -8.965 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.013 6.530 -11.286 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.991 5.344 -10.445 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -3.802 6.122 -12.714 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -4.947 6.120 -11.461 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.235 7.579 -11.958 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.007 6.683 -5.213 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.284 5.460 -4.410 1.00 0.13 C ATOM 1485 C LEU A 97 -7.784 5.216 -4.385 1.00 0.14 C ATOM 1486 O LEU A 97 -8.257 4.101 -4.454 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.849 5.694 -2.955 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.325 5.653 -2.821 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.933 6.288 -1.479 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.812 4.185 -2.890 1.00 0.19 C ATOM 0 H LEU A 97 -5.522 7.430 -4.715 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.748 4.618 -4.849 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.221 6.659 -2.612 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.294 4.934 -2.313 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.871 6.209 -3.641 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.849 6.266 -1.369 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.280 7.321 -1.450 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.392 5.728 -0.664 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.726 4.174 -2.793 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.255 3.606 -2.079 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.095 3.745 -3.846 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.528 6.267 -4.263 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.012 6.128 -4.186 1.00 0.15 C ATOM 1504 C GLU A 98 -10.575 5.529 -5.473 1.00 0.16 C ATOM 1505 O GLU A 98 -11.473 4.711 -5.444 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.626 7.512 -3.949 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.151 7.404 -3.808 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.743 8.808 -3.673 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.970 9.751 -3.616 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -13.957 8.917 -3.632 1.00 2.10 O ATOM 0 H GLU A 98 -8.179 7.224 -4.212 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.262 5.457 -3.364 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.202 7.956 -3.048 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.377 8.174 -4.778 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.574 6.900 -4.677 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.406 6.803 -2.935 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.087 5.946 -6.598 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.632 5.418 -7.878 1.00 0.17 C ATOM 1519 C ALA A 99 -10.290 3.935 -8.066 1.00 0.16 C ATOM 1520 O ALA A 99 -11.115 3.158 -8.505 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.061 6.233 -9.041 1.00 0.19 C ATOM 0 H ALA A 99 -9.335 6.629 -6.692 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.718 5.508 -7.853 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.457 5.851 -9.982 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.345 7.279 -8.926 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -8.974 6.150 -9.044 1.00 0.19 H new ATOM 1527 N THR A 100 -9.084 3.536 -7.776 1.00 0.16 N ATOM 1528 CA THR A 100 -8.714 2.107 -7.985 1.00 0.16 C ATOM 1529 C THR A 100 -9.500 1.217 -7.014 1.00 0.15 C ATOM 1530 O THR A 100 -9.963 0.151 -7.369 1.00 0.15 O ATOM 1531 CB THR A 100 -7.215 1.942 -7.746 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.521 2.926 -8.495 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.769 0.557 -8.221 1.00 0.20 C ATOM 0 H THR A 100 -8.343 4.131 -7.406 1.00 0.16 H new ATOM 0 HA THR A 100 -8.957 1.810 -9.005 1.00 0.16 H new ATOM 0 HB THR A 100 -7.000 2.052 -6.683 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.557 2.830 -8.347 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.699 0.441 -8.050 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.311 -0.210 -7.667 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.980 0.452 -9.285 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.663 1.654 -5.796 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.427 0.842 -4.801 1.00 0.13 C ATOM 1543 C ILE A 101 -11.846 0.665 -5.320 1.00 0.14 C ATOM 1544 O ILE A 101 -12.368 -0.426 -5.373 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.455 1.601 -3.468 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.050 1.602 -2.851 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.435 0.928 -2.502 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.940 2.722 -1.813 1.00 0.16 C ATOM 0 H ILE A 101 -9.300 2.540 -5.444 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.962 -0.133 -4.655 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.778 2.626 -3.648 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.848 0.639 -2.383 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.301 1.741 -3.630 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.448 1.474 -1.558 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.434 0.931 -2.937 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.121 -0.100 -2.322 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.941 2.718 -1.378 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.123 3.683 -2.294 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.678 2.563 -1.027 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.454 1.741 -5.726 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.832 1.673 -6.280 1.00 0.20 C ATOM 1562 C ASN A 102 -13.820 0.773 -7.507 1.00 0.19 C ATOM 1563 O ASN A 102 -14.768 0.073 -7.801 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.281 3.075 -6.697 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.712 3.016 -7.234 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.963 2.433 -8.270 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.665 3.610 -6.573 1.00 0.55 N ATOM 0 H ASN A 102 -12.050 2.677 -5.697 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.515 1.278 -5.528 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.229 3.753 -5.845 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.611 3.470 -7.461 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.622 3.586 -6.925 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.454 4.099 -5.703 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.753 0.831 -8.245 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.647 0.033 -9.489 1.00 0.18 C ATOM 1576 C GLU A 103 -12.580 -1.463 -9.148 1.00 0.16 C ATOM 1577 O GLU A 103 -13.158 -2.289 -9.826 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.367 0.465 -10.215 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.357 -0.084 -11.645 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.120 -1.595 -11.614 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.085 -2.000 -11.116 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -11.982 -2.320 -12.085 1.00 2.21 O ATOM 0 H GLU A 103 -11.938 1.407 -8.035 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.517 0.199 -10.124 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.302 1.553 -10.235 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.493 0.103 -9.673 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.305 0.135 -12.136 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.576 0.405 -12.227 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.867 -1.816 -8.109 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.740 -3.260 -7.726 1.00 0.14 C ATOM 1591 C LEU A 104 -12.693 -3.615 -6.572 1.00 0.13 C ATOM 1592 O LEU A 104 -12.741 -4.750 -6.138 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.306 -3.526 -7.268 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.317 -3.312 -8.422 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.892 -3.370 -7.865 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.499 -4.402 -9.494 1.00 0.25 C ATOM 0 H LEU A 104 -11.364 -1.165 -7.505 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.995 -3.869 -8.593 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.055 -2.863 -6.440 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.222 -4.547 -6.895 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.501 -2.341 -8.882 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.178 -3.219 -8.675 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.762 -2.588 -7.117 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.720 -4.344 -7.406 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.790 -4.236 -10.305 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.320 -5.382 -9.051 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.515 -4.361 -9.886 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.442 -2.676 -6.054 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.356 -3.020 -4.921 1.00 0.15 C ATOM 1610 C VAL A 105 -15.430 -3.992 -5.420 1.00 0.16 C ATOM 1611 O VAL A 105 -15.802 -4.875 -4.665 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.025 -1.752 -4.356 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.139 -1.257 -5.300 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.624 -2.070 -2.978 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.857 -3.839 -6.553 1.00 1.08 O ATOM 0 H VAL A 105 -13.462 -1.703 -6.359 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.774 -3.485 -4.125 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.274 -0.967 -4.266 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.598 -0.361 -4.882 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.713 -1.025 -6.276 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.895 -2.035 -5.410 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.099 -1.177 -2.573 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.366 -2.862 -3.078 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.832 -2.398 -2.304 1.00 0.19 H new ATOM 1683 N LYS B 63 7.087 15.126 -5.653 1.00 0.19 N ATOM 1684 CA LYS B 63 5.943 14.166 -5.729 1.00 0.14 C ATOM 1685 C LYS B 63 6.459 12.718 -5.735 1.00 0.12 C ATOM 1686 O LYS B 63 5.720 11.791 -5.455 1.00 0.12 O ATOM 1687 CB LYS B 63 5.170 14.409 -7.031 1.00 0.17 C ATOM 1688 CG LYS B 63 4.621 15.844 -7.088 1.00 0.20 C ATOM 1689 CD LYS B 63 3.744 16.145 -5.863 1.00 0.40 C ATOM 1690 CE LYS B 63 2.816 17.327 -6.170 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.633 18.550 -6.412 1.00 1.31 N ATOM 0 HA LYS B 63 5.299 14.319 -4.863 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.824 14.232 -7.885 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.347 13.698 -7.107 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.448 16.553 -7.131 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.038 15.979 -7.999 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.155 15.266 -5.601 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.372 16.377 -5.002 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.205 17.106 -7.045 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.132 17.492 -5.337 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.014 19.386 -6.418 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.341 18.649 -5.657 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.115 18.470 -7.330 1.00 1.31 H new ATOM 1705 N ILE B 64 7.710 12.519 -6.076 1.00 0.11 N ATOM 1706 CA ILE B 64 8.295 11.129 -6.112 1.00 0.11 C ATOM 1707 C ILE B 64 9.650 11.134 -5.390 1.00 0.10 C ATOM 1708 O ILE B 64 10.416 12.069 -5.517 1.00 0.11 O ATOM 1709 CB ILE B 64 8.529 10.707 -7.577 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.191 10.498 -8.305 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.347 9.406 -7.631 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.328 9.435 -7.599 1.00 0.15 C ATOM 0 H ILE B 64 8.360 13.262 -6.334 1.00 0.11 H new ATOM 0 HA ILE B 64 7.607 10.436 -5.627 1.00 0.11 H new ATOM 0 HB ILE B 64 9.081 11.505 -8.074 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.647 11.441 -8.347 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.379 10.192 -9.334 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.505 9.119 -8.670 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.311 9.562 -7.147 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.805 8.614 -7.114 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.389 9.311 -8.139 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.863 8.486 -7.580 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.120 9.755 -6.578 1.00 0.15 H new ATOM 1724 N CYS B 65 9.977 10.084 -4.665 1.00 0.09 N ATOM 1725 CA CYS B 65 11.315 10.019 -3.988 1.00 0.10 C ATOM 1726 C CYS B 65 12.183 9.058 -4.812 1.00 0.10 C ATOM 1727 O CYS B 65 11.784 7.947 -5.096 1.00 0.11 O ATOM 1728 CB CYS B 65 11.187 9.498 -2.542 1.00 0.10 C ATOM 1729 SG CYS B 65 9.715 10.193 -1.742 1.00 0.19 S ATOM 0 H CYS B 65 9.377 9.273 -4.514 1.00 0.09 H new ATOM 0 HA CYS B 65 11.757 11.014 -3.934 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.126 8.410 -2.546 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.077 9.765 -1.973 1.00 0.10 H new ATOM 1734 N SER B 66 13.343 9.482 -5.237 1.00 0.12 N ATOM 1735 CA SER B 66 14.198 8.586 -6.080 1.00 0.14 C ATOM 1736 C SER B 66 14.942 7.555 -5.218 1.00 0.14 C ATOM 1737 O SER B 66 15.386 7.837 -4.121 1.00 0.15 O ATOM 1738 CB SER B 66 15.222 9.429 -6.842 1.00 0.18 C ATOM 1739 OG SER B 66 14.541 10.306 -7.731 1.00 0.20 O ATOM 0 H SER B 66 13.736 10.402 -5.041 1.00 0.12 H new ATOM 0 HA SER B 66 13.549 8.054 -6.776 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.831 10.002 -6.143 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.900 8.782 -7.399 1.00 0.18 H new ATOM 0 HG SER B 66 15.195 10.849 -8.220 1.00 0.20 H new ATOM 1745 N TRP B 67 15.102 6.361 -5.728 1.00 0.15 N ATOM 1746 CA TRP B 67 15.829 5.301 -4.970 1.00 0.16 C ATOM 1747 C TRP B 67 17.326 5.589 -5.039 1.00 0.19 C ATOM 1748 O TRP B 67 18.120 4.987 -4.344 1.00 0.21 O ATOM 1749 CB TRP B 67 15.541 3.927 -5.586 1.00 0.16 C ATOM 1750 CG TRP B 67 14.119 3.570 -5.302 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.061 4.285 -5.725 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.580 2.449 -4.542 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.908 3.683 -5.276 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.177 2.551 -4.537 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.162 1.368 -3.863 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.382 1.622 -3.879 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.364 0.426 -3.203 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.976 0.557 -3.209 1.00 0.16 C ATOM 0 H TRP B 67 14.757 6.074 -6.644 1.00 0.15 H new ATOM 0 HA TRP B 67 15.496 5.298 -3.932 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.719 3.949 -6.661 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.211 3.176 -5.167 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.109 5.185 -6.320 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.969 4.032 -5.467 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.237 1.261 -3.849 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.307 1.726 -3.887 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.825 -0.404 -2.688 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.362 -0.167 -2.694 1.00 0.16 H new ATOM 1769 N ASN B 68 17.718 6.514 -5.873 1.00 0.23 N ATOM 1770 CA ASN B 68 19.165 6.843 -5.991 1.00 0.27 C ATOM 1771 C ASN B 68 19.719 7.111 -4.593 1.00 0.26 C ATOM 1772 O ASN B 68 20.915 7.175 -4.385 1.00 0.30 O ATOM 1773 CB ASN B 68 19.345 8.090 -6.861 1.00 0.34 C ATOM 1774 CG ASN B 68 19.001 7.750 -8.316 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.323 8.497 -9.218 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.340 6.656 -8.580 1.00 0.40 N ATOM 0 H ASN B 68 17.099 7.055 -6.477 1.00 0.23 H new ATOM 0 HA ASN B 68 19.697 6.011 -6.452 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.702 8.893 -6.502 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.372 8.449 -6.793 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.094 6.429 -9.543 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.069 6.028 -7.823 1.00 0.40 H new