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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc=-0.00785 K(o=-0.0078,f=-0.98) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 0.0934 (180deg=-0.466) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 40:sc= -0.3 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.045 (180deg=-0.391) USER MOD Single : A 37 MET CE :methyl -105:sc= 0 (180deg=-0.08) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= -1.44 (180deg=-3.26!) USER MOD Single : A 43 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.00087) USER MOD Single : A 44 SER OG : rot 101:sc= 0.718 USER MOD Single : A 46 SER OG : rot 93:sc= 0.127 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.5!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -28:sc= 0.185 USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0516 (180deg=-0.552) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.214! USER MOD Single : A 78 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.75) 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= -2.72! K(o=-2.7!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0147 (180deg=-0.351) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.3!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.466 -2.440 8.991 1.00 0.20 N ATOM 37 CA LYS A 3 -1.475 -3.506 9.339 1.00 0.18 C ATOM 38 C LYS A 3 -0.110 -3.098 8.784 1.00 0.15 C ATOM 39 O LYS A 3 0.019 -2.754 7.626 1.00 0.16 O ATOM 40 CB LYS A 3 -1.917 -4.827 8.690 1.00 0.19 C ATOM 41 CG LYS A 3 -0.989 -5.982 9.109 1.00 0.20 C ATOM 42 CD LYS A 3 -1.392 -6.512 10.490 1.00 0.81 C ATOM 43 CE LYS A 3 -0.563 -7.755 10.821 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.005 -8.309 12.133 1.00 1.67 N ATOM 0 HA LYS A 3 -1.414 -3.633 10.420 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.942 -5.055 8.981 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.909 -4.724 7.605 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.042 -6.785 8.374 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.045 -5.637 9.131 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.233 -5.744 11.247 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.454 -6.756 10.502 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.682 -8.504 10.038 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.496 -7.500 10.859 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.443 -9.154 12.360 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.870 -7.593 12.875 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.011 -8.567 12.080 1.00 1.67 H new ATOM 58 N GLN A 4 0.914 -3.143 9.598 1.00 0.15 N ATOM 59 CA GLN A 4 2.278 -2.767 9.116 1.00 0.14 C ATOM 60 C GLN A 4 3.053 -4.041 8.782 1.00 0.12 C ATOM 61 O GLN A 4 3.248 -4.895 9.624 1.00 0.13 O ATOM 62 CB GLN A 4 3.010 -1.996 10.219 1.00 0.16 C ATOM 63 CG GLN A 4 4.378 -1.530 9.708 1.00 0.17 C ATOM 64 CD GLN A 4 5.123 -0.813 10.835 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.988 -1.169 11.990 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.911 0.188 10.548 1.00 0.31 N ATOM 0 H GLN A 4 0.864 -3.424 10.577 1.00 0.15 H new ATOM 0 HA GLN A 4 2.200 -2.140 8.228 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.416 -1.137 10.530 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.136 -2.631 11.096 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.958 -2.384 9.359 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.252 -0.861 8.857 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.024 0.486 9.579 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.413 0.671 11.293 1.00 0.31 H new ATOM 75 N ILE A 5 3.513 -4.167 7.566 1.00 0.10 N ATOM 76 CA ILE A 5 4.290 -5.378 7.174 1.00 0.10 C ATOM 77 C ILE A 5 5.779 -5.034 7.201 1.00 0.10 C ATOM 78 O ILE A 5 6.249 -4.223 6.429 1.00 0.11 O ATOM 79 CB ILE A 5 3.902 -5.780 5.755 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.375 -5.853 5.627 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.510 -7.135 5.418 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.790 -6.744 6.731 1.00 0.19 C ATOM 0 H ILE A 5 3.383 -3.479 6.824 1.00 0.10 H new ATOM 0 HA ILE A 5 4.080 -6.197 7.862 1.00 0.10 H new ATOM 0 HB ILE A 5 4.282 -5.031 5.060 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.949 -4.852 5.695 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.104 -6.249 4.648 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.230 -7.417 4.403 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.596 -7.075 5.491 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.140 -7.884 6.118 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.706 -6.787 6.628 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.203 -7.749 6.644 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.046 -6.330 7.706 1.00 0.19 H new ATOM 94 N GLU A 6 6.526 -5.642 8.083 1.00 0.11 N ATOM 95 CA GLU A 6 7.987 -5.351 8.163 1.00 0.13 C ATOM 96 C GLU A 6 8.769 -6.451 7.439 1.00 0.12 C ATOM 97 O GLU A 6 9.983 -6.423 7.382 1.00 0.13 O ATOM 98 CB GLU A 6 8.398 -5.310 9.634 1.00 0.15 C ATOM 99 CG GLU A 6 7.607 -4.214 10.354 1.00 0.17 C ATOM 100 CD GLU A 6 8.144 -2.839 9.954 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.261 -2.529 10.334 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.430 -2.118 9.278 1.00 2.25 O ATOM 0 H GLU A 6 6.186 -6.331 8.754 1.00 0.11 H new ATOM 0 HA GLU A 6 8.203 -4.392 7.691 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.210 -6.276 10.102 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.467 -5.117 9.719 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.550 -4.289 10.100 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.686 -4.345 11.433 1.00 0.17 H new ATOM 109 N SER A 7 8.090 -7.429 6.889 1.00 0.12 N ATOM 110 CA SER A 7 8.819 -8.532 6.181 1.00 0.13 C ATOM 111 C SER A 7 7.931 -9.181 5.117 1.00 0.12 C ATOM 112 O SER A 7 6.719 -9.154 5.200 1.00 0.12 O ATOM 113 CB SER A 7 9.205 -9.603 7.200 1.00 0.15 C ATOM 114 OG SER A 7 8.025 -10.111 7.808 1.00 0.15 O ATOM 0 H SER A 7 7.073 -7.513 6.898 1.00 0.12 H new ATOM 0 HA SER A 7 9.701 -8.110 5.700 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.753 -10.408 6.710 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.867 -9.181 7.957 1.00 0.15 H new ATOM 0 HG SER A 7 8.265 -10.800 8.462 1.00 0.15 H new ATOM 120 N LYS A 8 8.535 -9.804 4.134 1.00 0.14 N ATOM 121 CA LYS A 8 7.736 -10.496 3.081 1.00 0.15 C ATOM 122 C LYS A 8 6.973 -11.632 3.742 1.00 0.15 C ATOM 123 O LYS A 8 5.883 -11.988 3.337 1.00 0.16 O ATOM 124 CB LYS A 8 8.661 -11.075 2.011 1.00 0.18 C ATOM 125 CG LYS A 8 7.819 -11.554 0.826 1.00 0.21 C ATOM 126 CD LYS A 8 8.660 -12.454 -0.083 1.00 0.43 C ATOM 127 CE LYS A 8 9.829 -11.657 -0.653 1.00 0.80 C ATOM 128 NZ LYS A 8 10.435 -12.409 -1.790 1.00 1.65 N ATOM 0 H LYS A 8 9.547 -9.862 4.018 1.00 0.14 H new ATOM 0 HA LYS A 8 7.054 -9.788 2.610 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.376 -10.320 1.683 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.238 -11.904 2.421 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.947 -12.100 1.186 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.449 -10.698 0.262 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.031 -13.311 0.479 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.045 -12.846 -0.893 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.486 -10.679 -0.991 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.576 -11.483 0.121 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.039 -11.770 -2.346 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 11.009 -13.194 -1.421 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.680 -12.788 -2.397 1.00 1.65 H new ATOM 142 N THR A 9 7.549 -12.211 4.757 1.00 0.15 N ATOM 143 CA THR A 9 6.871 -13.335 5.446 1.00 0.17 C ATOM 144 C THR A 9 5.503 -12.861 5.914 1.00 0.16 C ATOM 145 O THR A 9 4.497 -13.508 5.700 1.00 0.17 O ATOM 146 CB THR A 9 7.705 -13.755 6.659 1.00 0.19 C ATOM 147 OG1 THR A 9 9.029 -14.049 6.240 1.00 0.22 O ATOM 148 CG2 THR A 9 7.089 -14.994 7.309 1.00 0.23 C ATOM 0 H THR A 9 8.460 -11.952 5.137 1.00 0.15 H new ATOM 0 HA THR A 9 6.761 -14.182 4.769 1.00 0.17 H new ATOM 0 HB THR A 9 7.721 -12.941 7.384 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.566 -14.317 7.015 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.687 -15.288 8.172 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.073 -14.768 7.632 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.067 -15.811 6.587 1.00 0.23 H new ATOM 156 N ALA A 10 5.456 -11.721 6.534 1.00 0.15 N ATOM 157 CA ALA A 10 4.152 -11.184 6.995 1.00 0.15 C ATOM 158 C ALA A 10 3.322 -10.767 5.782 1.00 0.14 C ATOM 159 O ALA A 10 2.110 -10.840 5.795 1.00 0.15 O ATOM 160 CB ALA A 10 4.387 -9.984 7.916 1.00 0.17 C ATOM 0 H ALA A 10 6.266 -11.136 6.742 1.00 0.15 H new ATOM 0 HA ALA A 10 3.612 -11.951 7.550 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.428 -9.591 8.253 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.975 -10.297 8.779 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.926 -9.208 7.372 1.00 0.17 H new ATOM 166 N PHE A 11 3.959 -10.328 4.728 1.00 0.14 N ATOM 167 CA PHE A 11 3.184 -9.906 3.528 1.00 0.13 C ATOM 168 C PHE A 11 2.348 -11.080 3.039 1.00 0.14 C ATOM 169 O PHE A 11 1.180 -10.947 2.726 1.00 0.14 O ATOM 170 CB PHE A 11 4.163 -9.512 2.414 1.00 0.14 C ATOM 171 CG PHE A 11 3.405 -8.857 1.283 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.788 -7.620 1.486 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.327 -9.482 0.028 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.089 -7.009 0.444 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.629 -8.867 -1.017 1.00 0.14 C ATOM 176 CZ PHE A 11 2.008 -7.631 -0.809 1.00 0.14 C ATOM 0 H PHE A 11 4.972 -10.244 4.648 1.00 0.14 H new ATOM 0 HA PHE A 11 2.541 -9.064 3.783 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.917 -8.829 2.804 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.690 -10.394 2.050 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.852 -7.136 2.450 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.806 -10.437 -0.131 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.609 -6.055 0.604 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.570 -9.346 -1.983 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.466 -7.156 -1.614 1.00 0.14 H new ATOM 186 N GLN A 12 2.942 -12.232 2.984 1.00 0.14 N ATOM 187 CA GLN A 12 2.198 -13.431 2.520 1.00 0.16 C ATOM 188 C GLN A 12 1.075 -13.729 3.512 1.00 0.15 C ATOM 189 O GLN A 12 -0.036 -14.046 3.139 1.00 0.16 O ATOM 190 CB GLN A 12 3.163 -14.616 2.506 1.00 0.18 C ATOM 191 CG GLN A 12 4.297 -14.351 1.514 1.00 0.17 C ATOM 192 CD GLN A 12 3.731 -14.248 0.099 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.190 -15.202 -0.424 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.831 -13.120 -0.545 1.00 1.31 N ATOM 0 H GLN A 12 3.915 -12.398 3.241 1.00 0.14 H new ATOM 0 HA GLN A 12 1.784 -13.261 1.526 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.571 -14.776 3.504 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.631 -15.526 2.229 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.815 -13.428 1.777 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.032 -15.154 1.564 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.285 -12.320 -0.105 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.455 -13.037 -1.489 1.00 1.31 H new ATOM 203 N GLU A 13 1.370 -13.623 4.780 1.00 0.16 N ATOM 204 CA GLU A 13 0.341 -13.893 5.822 1.00 0.17 C ATOM 205 C GLU A 13 -0.787 -12.870 5.733 1.00 0.15 C ATOM 206 O GLU A 13 -1.940 -13.179 5.956 1.00 0.16 O ATOM 207 CB GLU A 13 1.001 -13.821 7.205 1.00 0.19 C ATOM 208 CG GLU A 13 2.042 -14.938 7.343 1.00 0.28 C ATOM 209 CD GLU A 13 1.348 -16.301 7.280 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.185 -16.371 7.644 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.991 -17.253 6.866 1.00 1.77 O ATOM 0 H GLU A 13 2.287 -13.359 5.140 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.081 -14.886 5.664 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.476 -12.850 7.341 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.245 -13.918 7.984 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.782 -14.859 6.547 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.577 -14.835 8.287 1.00 0.28 H new ATOM 218 N ALA A 14 -0.463 -11.650 5.418 1.00 0.15 N ATOM 219 CA ALA A 14 -1.515 -10.607 5.322 1.00 0.14 C ATOM 220 C ALA A 14 -2.410 -10.913 4.125 1.00 0.13 C ATOM 221 O ALA A 14 -3.621 -10.834 4.203 1.00 0.13 O ATOM 222 CB ALA A 14 -0.856 -9.238 5.149 1.00 0.15 C ATOM 0 H ALA A 14 0.486 -11.330 5.223 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.118 -10.598 6.230 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.626 -8.470 5.078 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.215 -9.032 6.006 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.256 -9.235 4.239 1.00 0.15 H new ATOM 228 N LEU A 15 -1.824 -11.272 3.018 1.00 0.12 N ATOM 229 CA LEU A 15 -2.644 -11.587 1.824 1.00 0.12 C ATOM 230 C LEU A 15 -3.564 -12.748 2.179 1.00 0.13 C ATOM 231 O LEU A 15 -4.720 -12.782 1.807 1.00 0.13 O ATOM 232 CB LEU A 15 -1.719 -12.014 0.679 1.00 0.13 C ATOM 233 CG LEU A 15 -0.892 -10.816 0.187 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.245 -11.319 -0.711 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.774 -9.832 -0.604 1.00 0.17 C ATOM 0 H LEU A 15 -0.816 -11.360 2.892 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.225 -10.717 1.518 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.054 -12.809 1.017 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.309 -12.419 -0.143 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.482 -10.295 1.052 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.834 -10.471 -1.062 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.885 -11.995 -0.144 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.174 -11.848 -1.567 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.168 -8.992 -0.943 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.203 -10.341 -1.467 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.576 -9.466 0.037 1.00 0.17 H new ATOM 247 N ASP A 16 -3.053 -13.702 2.907 1.00 0.13 N ATOM 248 CA ASP A 16 -3.887 -14.866 3.302 1.00 0.15 C ATOM 249 C ASP A 16 -4.949 -14.437 4.318 1.00 0.15 C ATOM 250 O ASP A 16 -6.074 -14.894 4.288 1.00 0.16 O ATOM 251 CB ASP A 16 -3.005 -15.946 3.929 1.00 0.17 C ATOM 252 CG ASP A 16 -3.825 -17.225 4.095 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.689 -17.464 3.267 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.578 -17.944 5.050 1.00 1.07 O ATOM 0 H ASP A 16 -2.091 -13.723 3.245 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.377 -15.260 2.412 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.136 -16.135 3.299 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.630 -15.611 4.896 1.00 0.17 H new ATOM 259 N ALA A 17 -4.585 -13.586 5.240 1.00 0.15 N ATOM 260 CA ALA A 17 -5.560 -13.141 6.280 1.00 0.16 C ATOM 261 C ALA A 17 -6.615 -12.224 5.665 1.00 0.15 C ATOM 262 O ALA A 17 -7.755 -12.204 6.085 1.00 0.17 O ATOM 263 CB ALA A 17 -4.818 -12.393 7.389 1.00 0.18 C ATOM 0 H ALA A 17 -3.653 -13.179 5.318 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.056 -14.019 6.695 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.530 -12.068 8.148 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.080 -13.054 7.843 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.315 -11.523 6.967 1.00 0.18 H new ATOM 269 N ALA A 18 -6.251 -11.462 4.674 1.00 0.14 N ATOM 270 CA ALA A 18 -7.242 -10.547 4.042 1.00 0.15 C ATOM 271 C ALA A 18 -8.353 -11.382 3.401 1.00 0.14 C ATOM 272 O ALA A 18 -9.471 -10.935 3.249 1.00 0.17 O ATOM 273 CB ALA A 18 -6.546 -9.697 2.975 1.00 0.15 C ATOM 0 H ALA A 18 -5.313 -11.432 4.274 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.672 -9.887 4.796 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.272 -9.028 2.513 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.753 -9.109 3.438 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.117 -10.348 2.214 1.00 0.15 H new ATOM 279 N GLY A 19 -8.050 -12.595 3.030 1.00 0.16 N ATOM 280 CA GLY A 19 -9.081 -13.464 2.404 1.00 0.20 C ATOM 281 C GLY A 19 -9.469 -12.904 1.037 1.00 0.16 C ATOM 282 O GLY A 19 -8.624 -12.598 0.219 1.00 0.17 O ATOM 0 H GLY A 19 -7.129 -13.022 3.134 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.698 -14.479 2.296 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.960 -13.522 3.046 1.00 0.20 H new ATOM 286 N ASP A 20 -10.741 -12.776 0.776 1.00 0.15 N ATOM 287 CA ASP A 20 -11.190 -12.252 -0.547 1.00 0.14 C ATOM 288 C ASP A 20 -11.364 -10.730 -0.497 1.00 0.12 C ATOM 289 O ASP A 20 -11.777 -10.119 -1.461 1.00 0.13 O ATOM 290 CB ASP A 20 -12.521 -12.906 -0.911 1.00 0.15 C ATOM 291 CG ASP A 20 -12.326 -14.420 -1.006 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.259 -14.833 -1.433 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.243 -15.139 -0.651 1.00 1.07 O ATOM 0 H ASP A 20 -11.492 -13.012 1.424 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.436 -12.487 -1.298 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.274 -12.670 -0.159 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.885 -12.514 -1.860 1.00 0.15 H new ATOM 298 N LYS A 21 -11.057 -10.109 0.608 1.00 0.12 N ATOM 299 CA LYS A 21 -11.222 -8.627 0.690 1.00 0.12 C ATOM 300 C LYS A 21 -10.123 -7.941 -0.123 1.00 0.10 C ATOM 301 O LYS A 21 -9.022 -8.445 -0.242 1.00 0.11 O ATOM 302 CB LYS A 21 -11.095 -8.175 2.146 1.00 0.15 C ATOM 303 CG LYS A 21 -12.286 -8.682 2.967 1.00 0.21 C ATOM 304 CD LYS A 21 -12.387 -7.867 4.260 1.00 0.31 C ATOM 305 CE LYS A 21 -13.355 -8.546 5.226 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.698 -7.599 6.325 1.00 1.50 N ATOM 0 H LYS A 21 -10.702 -10.557 1.452 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.203 -8.360 0.297 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.165 -8.552 2.571 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.049 -7.087 2.193 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.207 -8.589 2.391 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.160 -9.740 3.198 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.403 -7.776 4.721 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.730 -6.856 4.038 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.259 -8.852 4.699 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.904 -9.449 5.636 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.357 -8.058 6.985 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.832 -7.328 6.833 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.144 -6.749 5.924 1.00 1.50 H new ATOM 320 N LEU A 22 -10.402 -6.788 -0.676 1.00 0.11 N ATOM 321 CA LEU A 22 -9.367 -6.079 -1.470 1.00 0.12 C ATOM 322 C LEU A 22 -8.166 -5.842 -0.537 1.00 0.12 C ATOM 323 O LEU A 22 -8.307 -5.847 0.670 1.00 0.14 O ATOM 324 CB LEU A 22 -9.965 -4.735 -1.951 1.00 0.15 C ATOM 325 CG LEU A 22 -9.513 -4.360 -3.381 1.00 0.29 C ATOM 326 CD1 LEU A 22 -9.960 -2.910 -3.699 1.00 0.31 C ATOM 327 CD2 LEU A 22 -7.986 -4.453 -3.533 1.00 0.47 C ATOM 0 H LEU A 22 -11.302 -6.312 -0.609 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.049 -6.651 -2.342 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.053 -4.795 -1.922 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.671 -3.943 -1.262 1.00 0.15 H new ATOM 0 HG LEU A 22 -9.973 -5.065 -4.073 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.642 -2.644 -4.707 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.046 -2.841 -3.631 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.507 -2.224 -2.983 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.705 -4.183 -4.551 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.508 -3.770 -2.831 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.661 -5.473 -3.326 1.00 0.47 H new ATOM 339 N VAL A 23 -6.998 -5.629 -1.074 1.00 0.11 N ATOM 340 CA VAL A 23 -5.807 -5.392 -0.215 1.00 0.11 C ATOM 341 C VAL A 23 -4.909 -4.369 -0.893 1.00 0.11 C ATOM 342 O VAL A 23 -4.287 -4.650 -1.899 1.00 0.17 O ATOM 343 CB VAL A 23 -5.027 -6.691 -0.045 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.771 -6.420 0.786 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.899 -7.729 0.660 1.00 0.12 C ATOM 0 H VAL A 23 -6.817 -5.609 -2.078 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.130 -5.030 0.761 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.740 -7.075 -1.024 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.210 -7.346 0.910 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.149 -5.685 0.276 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.058 -6.036 1.765 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.337 -8.656 0.779 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.191 -7.353 1.641 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.791 -7.920 0.064 1.00 0.12 H new ATOM 355 N VAL A 24 -4.831 -3.185 -0.353 1.00 0.09 N ATOM 356 CA VAL A 24 -3.963 -2.141 -0.964 1.00 0.09 C ATOM 357 C VAL A 24 -2.643 -2.107 -0.195 1.00 0.09 C ATOM 358 O VAL A 24 -2.620 -2.269 1.011 1.00 0.10 O ATOM 359 CB VAL A 24 -4.651 -0.775 -0.872 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.825 0.260 -1.641 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.055 -0.868 -1.476 1.00 0.14 C ATOM 0 H VAL A 24 -5.332 -2.895 0.487 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.782 -2.370 -2.014 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.729 -0.473 0.172 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.311 1.233 -1.578 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.827 0.324 -1.207 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.748 -0.040 -2.686 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.544 0.104 -1.410 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.982 -1.168 -2.521 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.639 -1.606 -0.927 1.00 0.14 H new ATOM 371 N VAL A 25 -1.542 -1.927 -0.883 1.00 0.09 N ATOM 372 CA VAL A 25 -0.207 -1.908 -0.201 1.00 0.09 C ATOM 373 C VAL A 25 0.515 -0.599 -0.527 1.00 0.10 C ATOM 374 O VAL A 25 0.757 -0.287 -1.674 1.00 0.11 O ATOM 375 CB VAL A 25 0.629 -3.085 -0.720 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.929 -3.200 0.081 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.168 -4.387 -0.586 1.00 0.10 C ATOM 0 H VAL A 25 -1.509 -1.792 -1.893 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.342 -1.989 0.878 1.00 0.09 H new ATOM 0 HB VAL A 25 0.868 -2.911 -1.769 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.515 -4.038 -0.295 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.503 -2.280 -0.024 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.695 -3.364 1.133 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.430 -5.220 -0.956 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.416 -4.556 0.462 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.086 -4.313 -1.169 1.00 0.10 H new ATOM 387 N ASP A 26 0.878 0.161 0.475 1.00 0.11 N ATOM 388 CA ASP A 26 1.602 1.452 0.228 1.00 0.12 C ATOM 389 C ASP A 26 3.114 1.247 0.443 1.00 0.14 C ATOM 390 O ASP A 26 3.556 0.955 1.534 1.00 0.20 O ATOM 391 CB ASP A 26 1.083 2.512 1.210 1.00 0.14 C ATOM 392 CG ASP A 26 1.689 3.876 0.869 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.190 4.023 -0.233 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.641 4.752 1.720 1.00 1.04 O ATOM 0 H ASP A 26 0.705 -0.055 1.457 1.00 0.11 H new ATOM 0 HA ASP A 26 1.428 1.781 -0.796 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.005 2.565 1.161 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.343 2.233 2.231 1.00 0.14 H new ATOM 399 N PHE A 27 3.908 1.409 -0.587 1.00 0.13 N ATOM 400 CA PHE A 27 5.396 1.239 -0.449 1.00 0.13 C ATOM 401 C PHE A 27 6.048 2.590 -0.140 1.00 0.22 C ATOM 402 O PHE A 27 7.224 2.784 -0.367 1.00 0.73 O ATOM 403 CB PHE A 27 5.990 0.672 -1.748 1.00 0.11 C ATOM 404 CG PHE A 27 5.728 -0.815 -1.851 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.560 -1.716 -1.170 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.680 -1.300 -2.645 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.343 -3.094 -1.280 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.463 -2.682 -2.751 1.00 0.14 C ATOM 409 CZ PHE A 27 5.295 -3.577 -2.069 1.00 0.14 C ATOM 0 H PHE A 27 3.591 1.653 -1.525 1.00 0.13 H new ATOM 0 HA PHE A 27 5.593 0.544 0.367 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.555 1.183 -2.606 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.063 0.860 -1.776 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.370 -1.345 -0.559 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.040 -0.610 -3.175 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.986 -3.785 -0.755 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.653 -3.056 -3.360 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.127 -4.641 -2.152 1.00 0.14 H new ATOM 419 N SER A 28 5.301 3.535 0.349 1.00 0.30 N ATOM 420 CA SER A 28 5.901 4.868 0.632 1.00 0.24 C ATOM 421 C SER A 28 7.103 4.726 1.556 1.00 0.24 C ATOM 422 O SER A 28 7.142 3.887 2.433 1.00 0.28 O ATOM 423 CB SER A 28 4.877 5.773 1.314 1.00 0.27 C ATOM 424 OG SER A 28 3.749 5.943 0.464 1.00 0.29 O ATOM 0 H SER A 28 4.308 3.446 0.564 1.00 0.30 H new ATOM 0 HA SER A 28 6.213 5.303 -0.317 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.567 5.337 2.264 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.325 6.741 1.539 1.00 0.27 H new ATOM 0 HG SER A 28 3.537 5.092 0.028 1.00 0.29 H new ATOM 430 N ALA A 29 8.080 5.567 1.365 1.00 0.20 N ATOM 431 CA ALA A 29 9.288 5.523 2.226 1.00 0.21 C ATOM 432 C ALA A 29 9.014 6.377 3.466 1.00 0.22 C ATOM 433 O ALA A 29 8.712 7.550 3.364 1.00 0.22 O ATOM 434 CB ALA A 29 10.482 6.095 1.434 1.00 0.19 C ATOM 0 H ALA A 29 8.091 6.288 0.643 1.00 0.20 H new ATOM 0 HA ALA A 29 9.521 4.502 2.528 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.377 6.069 2.056 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.645 5.496 0.538 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.269 7.125 1.148 1.00 0.19 H new ATOM 440 N THR A 30 9.113 5.807 4.634 1.00 0.23 N ATOM 441 CA THR A 30 8.848 6.612 5.855 1.00 0.24 C ATOM 442 C THR A 30 9.895 7.715 5.946 1.00 0.22 C ATOM 443 O THR A 30 9.643 8.783 6.466 1.00 0.22 O ATOM 444 CB THR A 30 8.928 5.727 7.106 1.00 0.28 C ATOM 445 OG1 THR A 30 8.672 6.523 8.256 1.00 0.30 O ATOM 446 CG2 THR A 30 10.322 5.107 7.220 1.00 0.29 C ATOM 0 H THR A 30 9.363 4.831 4.794 1.00 0.23 H new ATOM 0 HA THR A 30 7.848 7.042 5.797 1.00 0.24 H new ATOM 0 HB THR A 30 8.188 4.930 7.032 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.720 5.963 9.059 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.370 4.480 8.111 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.523 4.499 6.338 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.068 5.899 7.293 1.00 0.29 H new ATOM 454 N TRP A 31 11.069 7.470 5.437 1.00 0.22 N ATOM 455 CA TRP A 31 12.132 8.513 5.504 1.00 0.21 C ATOM 456 C TRP A 31 11.861 9.627 4.491 1.00 0.19 C ATOM 457 O TRP A 31 12.406 10.709 4.599 1.00 0.22 O ATOM 458 CB TRP A 31 13.481 7.885 5.189 1.00 0.23 C ATOM 459 CG TRP A 31 13.473 7.342 3.795 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.238 6.055 3.471 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.683 8.047 2.537 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.350 5.906 2.100 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.606 7.112 1.479 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.942 9.390 2.214 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.781 7.495 0.150 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.111 9.780 0.877 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.031 8.834 -0.152 1.00 0.21 C ATOM 0 H TRP A 31 11.339 6.599 4.980 1.00 0.22 H new ATOM 0 HA TRP A 31 12.136 8.935 6.509 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.272 8.627 5.296 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.696 7.086 5.899 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.000 5.266 4.170 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.255 5.017 1.610 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.011 10.127 3.000 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.723 6.761 -0.640 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.304 10.816 0.640 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.163 9.141 -1.179 1.00 0.21 H new ATOM 478 N CYS A 32 11.032 9.391 3.510 1.00 0.18 N ATOM 479 CA CYS A 32 10.755 10.466 2.511 1.00 0.17 C ATOM 480 C CYS A 32 9.650 11.371 3.063 1.00 0.17 C ATOM 481 O CYS A 32 8.554 10.936 3.356 1.00 0.20 O ATOM 482 CB CYS A 32 10.336 9.832 1.171 1.00 0.18 C ATOM 483 SG CYS A 32 10.408 11.085 -0.146 1.00 0.26 S ATOM 0 H CYS A 32 10.539 8.511 3.357 1.00 0.18 H new ATOM 0 HA CYS A 32 11.649 11.064 2.334 1.00 0.17 H new ATOM 0 HB2 CYS A 32 10.995 8.998 0.930 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.326 9.428 1.248 1.00 0.18 H new ATOM 488 N GLY A 33 9.961 12.629 3.236 1.00 0.20 N ATOM 489 CA GLY A 33 8.973 13.591 3.805 1.00 0.23 C ATOM 490 C GLY A 33 7.716 13.717 2.933 1.00 0.21 C ATOM 491 O GLY A 33 6.617 13.560 3.425 1.00 0.22 O ATOM 0 H GLY A 33 10.868 13.035 3.004 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.688 13.266 4.806 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.441 14.570 3.909 1.00 0.23 H new ATOM 495 N PRO A 34 7.844 14.015 1.662 1.00 0.21 N ATOM 496 CA PRO A 34 6.637 14.152 0.807 1.00 0.22 C ATOM 497 C PRO A 34 5.810 12.860 0.750 1.00 0.22 C ATOM 498 O PRO A 34 4.607 12.898 0.602 1.00 0.24 O ATOM 499 CB PRO A 34 7.228 14.543 -0.562 1.00 0.29 C ATOM 500 CG PRO A 34 8.759 14.380 -0.490 1.00 0.31 C ATOM 501 CD PRO A 34 9.160 14.227 0.990 1.00 0.24 C ATOM 0 HA PRO A 34 5.927 14.887 1.185 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.815 13.911 -1.349 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.966 15.572 -0.809 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.075 13.507 -1.061 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.254 15.246 -0.930 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.834 13.384 1.143 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.669 15.114 1.366 1.00 0.24 H new ATOM 509 N ALA A 35 6.437 11.721 0.877 1.00 0.21 N ATOM 510 CA ALA A 35 5.662 10.446 0.833 1.00 0.23 C ATOM 511 C ALA A 35 4.930 10.236 2.170 1.00 0.23 C ATOM 512 O ALA A 35 3.751 9.952 2.202 1.00 0.22 O ATOM 513 CB ALA A 35 6.619 9.274 0.572 1.00 0.24 C ATOM 0 H ALA A 35 7.443 11.618 1.008 1.00 0.21 H new ATOM 0 HA ALA A 35 4.927 10.496 0.030 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.053 8.343 0.540 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.126 9.424 -0.381 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.358 9.222 1.372 1.00 0.24 H new ATOM 519 N LYS A 36 5.619 10.393 3.271 1.00 0.25 N ATOM 520 CA LYS A 36 4.964 10.214 4.606 1.00 0.27 C ATOM 521 C LYS A 36 3.819 11.216 4.739 1.00 0.26 C ATOM 522 O LYS A 36 2.814 10.954 5.370 1.00 0.27 O ATOM 523 CB LYS A 36 5.996 10.458 5.715 1.00 0.33 C ATOM 524 CG LYS A 36 5.374 10.181 7.090 1.00 0.37 C ATOM 525 CD LYS A 36 6.329 10.664 8.185 1.00 0.44 C ATOM 526 CE LYS A 36 5.766 10.290 9.556 1.00 0.89 C ATOM 527 NZ LYS A 36 5.834 8.812 9.729 1.00 1.59 N ATOM 0 H LYS A 36 6.609 10.638 3.305 1.00 0.25 H new ATOM 0 HA LYS A 36 4.573 9.200 4.694 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.862 9.814 5.563 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.352 11.487 5.670 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.415 10.691 7.177 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.180 9.115 7.206 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.312 10.214 8.049 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.461 11.744 8.117 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.334 10.786 10.343 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.734 10.631 9.644 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.782 8.578 10.741 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 5.038 8.367 9.229 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.730 8.458 9.338 1.00 1.59 H new ATOM 541 N MET A 37 3.965 12.361 4.148 1.00 0.28 N ATOM 542 CA MET A 37 2.899 13.392 4.233 1.00 0.30 C ATOM 543 C MET A 37 1.588 12.841 3.659 1.00 0.25 C ATOM 544 O MET A 37 0.524 13.280 4.028 1.00 0.25 O ATOM 545 CB MET A 37 3.338 14.636 3.456 1.00 0.38 C ATOM 546 CG MET A 37 2.306 15.757 3.627 1.00 0.44 C ATOM 547 SD MET A 37 0.912 15.476 2.508 1.00 1.54 S ATOM 548 CE MET A 37 1.655 16.196 1.020 1.00 2.10 C ATOM 0 H MET A 37 4.784 12.632 3.604 1.00 0.28 H new ATOM 0 HA MET A 37 2.733 13.660 5.276 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.312 14.971 3.812 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.451 14.393 2.399 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.956 15.789 4.659 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.765 16.723 3.416 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.210 17.172 0.827 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.729 16.310 1.168 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.474 15.540 0.169 1.00 2.10 H new ATOM 558 N ILE A 38 1.660 11.900 2.750 1.00 0.23 N ATOM 559 CA ILE A 38 0.416 11.316 2.141 1.00 0.25 C ATOM 560 C ILE A 38 -0.191 10.226 3.048 1.00 0.26 C ATOM 561 O ILE A 38 -1.241 9.689 2.758 1.00 0.31 O ATOM 562 CB ILE A 38 0.741 10.713 0.766 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.706 11.636 0.026 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.540 10.561 -0.068 1.00 0.35 C ATOM 565 CD1 ILE A 38 1.980 11.080 -1.370 1.00 0.49 C ATOM 0 H ILE A 38 2.533 11.506 2.399 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.313 12.119 2.030 1.00 0.25 H new ATOM 0 HB ILE A 38 1.193 9.732 0.911 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.282 12.638 -0.047 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.639 11.724 0.583 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.293 10.133 -1.039 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.237 9.904 0.452 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.000 11.539 -0.209 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.669 11.741 -1.896 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.422 10.087 -1.286 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.045 11.015 -1.926 1.00 0.49 H new ATOM 577 N LYS A 39 0.454 9.855 4.126 1.00 0.27 N ATOM 578 CA LYS A 39 -0.131 8.767 4.972 1.00 0.34 C ATOM 579 C LYS A 39 -1.533 9.110 5.528 1.00 0.30 C ATOM 580 O LYS A 39 -2.309 8.210 5.751 1.00 0.33 O ATOM 581 CB LYS A 39 0.820 8.352 6.128 1.00 0.46 C ATOM 582 CG LYS A 39 0.773 9.317 7.337 1.00 0.50 C ATOM 583 CD LYS A 39 1.420 8.648 8.563 1.00 0.65 C ATOM 584 CE LYS A 39 0.571 7.460 9.060 1.00 0.80 C ATOM 585 NZ LYS A 39 1.078 6.198 8.450 1.00 0.75 N ATOM 0 H LYS A 39 1.338 10.246 4.452 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.251 7.917 4.300 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.557 7.349 6.463 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.841 8.304 5.750 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.298 10.242 7.097 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.260 9.585 7.560 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.421 8.301 8.306 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.532 9.379 9.364 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.618 7.395 10.147 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.475 7.610 8.794 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.364 5.816 7.797 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.956 6.393 7.927 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.269 5.503 9.199 1.00 0.75 H new ATOM 599 N PRO A 40 -1.886 10.356 5.791 1.00 0.26 N ATOM 600 CA PRO A 40 -3.236 10.633 6.351 1.00 0.25 C ATOM 601 C PRO A 40 -4.348 10.161 5.422 1.00 0.20 C ATOM 602 O PRO A 40 -5.319 9.597 5.857 1.00 0.21 O ATOM 603 CB PRO A 40 -3.218 12.165 6.491 1.00 0.26 C ATOM 604 CG PRO A 40 -1.753 12.591 6.440 1.00 0.28 C ATOM 605 CD PRO A 40 -1.044 11.560 5.565 1.00 0.27 C ATOM 0 HA PRO A 40 -3.434 10.110 7.287 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.786 12.634 5.688 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.679 12.474 7.429 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.652 13.593 6.022 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.320 12.618 7.440 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.023 11.856 4.516 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.010 11.402 5.872 1.00 0.27 H new ATOM 613 N PHE A 41 -4.224 10.385 4.142 1.00 0.16 N ATOM 614 CA PHE A 41 -5.308 9.928 3.233 1.00 0.13 C ATOM 615 C PHE A 41 -5.312 8.403 3.177 1.00 0.13 C ATOM 616 O PHE A 41 -6.325 7.758 3.353 1.00 0.15 O ATOM 617 CB PHE A 41 -5.044 10.457 1.827 1.00 0.14 C ATOM 618 CG PHE A 41 -5.274 11.941 1.779 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.321 12.812 2.313 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.440 12.447 1.195 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.534 14.194 2.265 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.654 13.828 1.146 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.701 14.702 1.680 1.00 0.37 C ATOM 0 H PHE A 41 -3.436 10.854 3.695 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.265 10.295 3.602 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.019 10.231 1.532 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.699 9.957 1.114 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.421 12.419 2.762 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.175 11.771 0.782 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.799 14.869 2.679 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.554 14.220 0.696 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.865 15.769 1.641 1.00 0.37 H new ATOM 633 N PHE A 42 -4.167 7.824 2.967 1.00 0.12 N ATOM 634 CA PHE A 42 -4.073 6.343 2.909 1.00 0.13 C ATOM 635 C PHE A 42 -4.536 5.744 4.234 1.00 0.14 C ATOM 636 O PHE A 42 -5.390 4.880 4.283 1.00 0.16 O ATOM 637 CB PHE A 42 -2.607 5.975 2.641 1.00 0.13 C ATOM 638 CG PHE A 42 -2.450 4.477 2.587 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.796 3.774 1.428 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.970 3.786 3.708 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.666 2.381 1.387 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.836 2.392 3.667 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.185 1.689 2.506 1.00 0.13 C ATOM 0 H PHE A 42 -3.285 8.318 2.832 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.709 5.948 2.117 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.279 6.417 1.700 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.971 6.387 3.425 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.164 4.307 0.564 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.703 4.328 4.603 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.937 1.840 0.493 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.464 1.859 4.530 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.083 0.614 2.474 1.00 0.13 H new ATOM 653 N HIS A 43 -3.968 6.205 5.305 1.00 0.16 N ATOM 654 CA HIS A 43 -4.329 5.687 6.649 1.00 0.18 C ATOM 655 C HIS A 43 -5.768 6.084 7.026 1.00 0.16 C ATOM 656 O HIS A 43 -6.499 5.306 7.603 1.00 0.16 O ATOM 657 CB HIS A 43 -3.314 6.253 7.651 1.00 0.23 C ATOM 658 CG HIS A 43 -3.616 5.764 9.030 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.034 4.620 9.547 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.486 6.210 9.986 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.567 4.409 10.764 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.459 5.351 11.082 1.00 0.31 N ATOM 0 H HIS A 43 -3.254 6.934 5.307 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.295 4.598 6.657 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.306 5.954 7.365 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.342 7.342 7.630 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.101 7.094 9.904 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.306 3.580 11.405 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.003 5.425 11.942 1.00 0.31 H new ATOM 670 N SER A 44 -6.180 7.288 6.719 1.00 0.15 N ATOM 671 CA SER A 44 -7.573 7.714 7.072 1.00 0.15 C ATOM 672 C SER A 44 -8.607 6.874 6.314 1.00 0.13 C ATOM 673 O SER A 44 -9.659 6.548 6.828 1.00 0.15 O ATOM 674 CB SER A 44 -7.783 9.190 6.731 1.00 0.18 C ATOM 675 OG SER A 44 -6.886 9.978 7.502 1.00 0.22 O ATOM 0 H SER A 44 -5.617 7.993 6.242 1.00 0.15 H new ATOM 0 HA SER A 44 -7.705 7.565 8.144 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.612 9.358 5.668 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.813 9.481 6.939 1.00 0.18 H new ATOM 0 HG SER A 44 -6.124 10.244 6.946 1.00 0.22 H new ATOM 681 N LEU A 45 -8.331 6.553 5.080 1.00 0.12 N ATOM 682 CA LEU A 45 -9.310 5.769 4.268 1.00 0.14 C ATOM 683 C LEU A 45 -9.541 4.387 4.869 1.00 0.13 C ATOM 684 O LEU A 45 -10.530 3.741 4.581 1.00 0.15 O ATOM 685 CB LEU A 45 -8.790 5.619 2.837 1.00 0.16 C ATOM 686 CG LEU A 45 -8.870 6.967 2.098 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.932 6.943 0.888 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.297 7.219 1.605 1.00 0.22 C ATOM 0 H LEU A 45 -7.468 6.800 4.596 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.257 6.308 4.265 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.759 5.265 2.852 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.377 4.869 2.306 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.578 7.759 2.787 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.989 7.897 0.365 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.909 6.774 1.224 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.230 6.141 0.213 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.338 8.176 1.084 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.592 6.422 0.923 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.978 7.239 2.456 1.00 0.22 H new ATOM 700 N SER A 46 -8.646 3.908 5.678 1.00 0.12 N ATOM 701 CA SER A 46 -8.848 2.555 6.254 1.00 0.12 C ATOM 702 C SER A 46 -10.225 2.492 6.908 1.00 0.14 C ATOM 703 O SER A 46 -10.929 1.508 6.795 1.00 0.16 O ATOM 704 CB SER A 46 -7.779 2.289 7.315 1.00 0.13 C ATOM 705 OG SER A 46 -6.492 2.366 6.715 1.00 0.14 O ATOM 0 H SER A 46 -7.792 4.387 5.964 1.00 0.12 H new ATOM 0 HA SER A 46 -8.775 1.807 5.465 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.861 3.018 8.121 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.928 1.305 7.759 1.00 0.13 H new ATOM 0 HG SER A 46 -6.138 3.274 6.815 1.00 0.14 H new ATOM 711 N GLU A 47 -10.624 3.532 7.587 1.00 0.15 N ATOM 712 CA GLU A 47 -11.966 3.526 8.235 1.00 0.18 C ATOM 713 C GLU A 47 -13.024 3.963 7.219 1.00 0.18 C ATOM 714 O GLU A 47 -14.204 3.752 7.420 1.00 0.21 O ATOM 715 CB GLU A 47 -11.979 4.507 9.412 1.00 0.22 C ATOM 716 CG GLU A 47 -11.073 4.002 10.540 1.00 0.23 C ATOM 717 CD GLU A 47 -11.611 2.685 11.106 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.761 2.373 10.846 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.863 2.014 11.797 1.00 2.05 O ATOM 0 H GLU A 47 -10.080 4.384 7.721 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.183 2.520 8.593 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.642 5.489 9.079 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.997 4.628 9.782 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.060 3.857 10.164 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.016 4.749 11.332 1.00 0.23 H new ATOM 726 N LYS A 48 -12.627 4.572 6.127 1.00 0.17 N ATOM 727 CA LYS A 48 -13.650 5.001 5.132 1.00 0.19 C ATOM 728 C LYS A 48 -14.095 3.761 4.382 1.00 0.18 C ATOM 729 O LYS A 48 -15.259 3.581 4.085 1.00 0.21 O ATOM 730 CB LYS A 48 -13.071 6.021 4.150 1.00 0.20 C ATOM 731 CG LYS A 48 -14.209 6.560 3.276 1.00 0.30 C ATOM 732 CD LYS A 48 -13.653 7.500 2.205 1.00 0.82 C ATOM 733 CE LYS A 48 -14.812 8.086 1.397 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.297 9.134 0.468 1.00 1.78 N ATOM 0 H LYS A 48 -11.659 4.786 5.888 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.488 5.478 5.641 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.591 6.836 4.691 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.305 5.556 3.529 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.738 5.732 2.804 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.933 7.090 3.895 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.077 8.300 2.670 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.973 6.959 1.547 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.309 7.298 0.832 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.556 8.515 2.068 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.087 9.531 -0.080 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.842 9.891 1.017 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.603 8.712 -0.181 1.00 1.78 H new ATOM 748 N TYR A 49 -13.165 2.882 4.112 1.00 0.16 N ATOM 749 CA TYR A 49 -13.497 1.600 3.421 1.00 0.17 C ATOM 750 C TYR A 49 -13.010 0.463 4.316 1.00 0.16 C ATOM 751 O TYR A 49 -12.084 -0.252 3.993 1.00 0.16 O ATOM 752 CB TYR A 49 -12.790 1.526 2.058 1.00 0.17 C ATOM 753 CG TYR A 49 -13.308 2.618 1.143 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.585 2.502 0.577 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.516 3.736 0.854 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.069 3.504 -0.273 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.004 4.738 0.001 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.279 4.621 -0.560 1.00 0.21 C ATOM 759 OH TYR A 49 -14.758 5.609 -1.398 1.00 0.25 O ATOM 0 H TYR A 49 -12.179 2.999 4.343 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.571 1.530 3.247 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.714 1.633 2.192 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.959 0.550 1.604 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.196 1.639 0.797 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.531 3.827 1.287 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.054 3.414 -0.707 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.394 5.601 -0.222 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.084 6.314 -1.491 1.00 0.25 H new ATOM 769 N SER A 50 -13.647 0.291 5.444 1.00 0.17 N ATOM 770 CA SER A 50 -13.248 -0.789 6.381 1.00 0.18 C ATOM 771 C SER A 50 -13.457 -2.130 5.677 1.00 0.19 C ATOM 772 O SER A 50 -13.102 -3.180 6.177 1.00 0.21 O ATOM 773 CB SER A 50 -14.111 -0.699 7.641 1.00 0.20 C ATOM 774 OG SER A 50 -15.443 -1.087 7.329 1.00 0.22 O ATOM 0 H SER A 50 -14.434 0.861 5.755 1.00 0.17 H new ATOM 0 HA SER A 50 -12.202 -0.691 6.670 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.705 -1.345 8.420 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.099 0.318 8.032 1.00 0.20 H new ATOM 0 HG SER A 50 -15.997 -1.032 8.135 1.00 0.22 H new ATOM 780 N ASN A 51 -14.016 -2.082 4.497 1.00 0.20 N ATOM 781 CA ASN A 51 -14.243 -3.321 3.705 1.00 0.23 C ATOM 782 C ASN A 51 -12.944 -3.712 3.018 1.00 0.19 C ATOM 783 O ASN A 51 -12.764 -4.845 2.612 1.00 0.22 O ATOM 784 CB ASN A 51 -15.322 -3.051 2.646 1.00 0.32 C ATOM 785 CG ASN A 51 -15.269 -4.120 1.544 1.00 0.54 C ATOM 786 OD1 ASN A 51 -14.288 -4.221 0.834 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.275 -4.917 1.366 1.00 0.27 N ATOM 0 H ASN A 51 -14.329 -1.223 4.044 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.570 -4.129 4.360 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.307 -3.049 3.113 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.174 -2.063 2.211 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.241 -5.625 0.633 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -17.101 -4.836 1.959 1.00 0.27 H new ATOM 794 N VAL A 52 -12.044 -2.781 2.876 1.00 0.21 N ATOM 795 CA VAL A 52 -10.752 -3.076 2.209 1.00 0.17 C ATOM 796 C VAL A 52 -9.652 -3.055 3.259 1.00 0.13 C ATOM 797 O VAL A 52 -9.724 -2.326 4.229 1.00 0.14 O ATOM 798 CB VAL A 52 -10.475 -2.013 1.141 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.041 -2.176 0.593 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.499 -2.164 0.005 1.00 0.24 C ATOM 0 H VAL A 52 -12.152 -1.819 3.198 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.788 -4.055 1.731 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.566 -1.020 1.580 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -8.853 -1.416 -0.166 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.325 -2.061 1.407 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -8.931 -3.166 0.150 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.308 -1.411 -0.759 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.411 -3.157 -0.435 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.505 -2.031 0.402 1.00 0.24 H new ATOM 810 N ILE A 53 -8.642 -3.861 3.088 1.00 0.11 N ATOM 811 CA ILE A 53 -7.539 -3.898 4.093 1.00 0.09 C ATOM 812 C ILE A 53 -6.368 -3.061 3.568 1.00 0.09 C ATOM 813 O ILE A 53 -5.797 -3.363 2.539 1.00 0.12 O ATOM 814 CB ILE A 53 -7.073 -5.352 4.266 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.281 -6.272 4.528 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.082 -5.455 5.440 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.104 -5.758 5.714 1.00 0.15 C ATOM 0 H ILE A 53 -8.531 -4.496 2.297 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.886 -3.502 5.047 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.577 -5.668 3.348 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.908 -6.321 3.638 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.936 -7.286 4.730 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.758 -6.490 5.553 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.216 -4.824 5.242 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.569 -5.125 6.357 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.952 -6.421 5.883 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.479 -5.733 6.607 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.467 -4.753 5.497 1.00 0.15 H new ATOM 829 N PHE A 54 -5.995 -2.012 4.267 1.00 0.08 N ATOM 830 CA PHE A 54 -4.848 -1.164 3.796 1.00 0.09 C ATOM 831 C PHE A 54 -3.559 -1.579 4.526 1.00 0.09 C ATOM 832 O PHE A 54 -3.495 -1.581 5.740 1.00 0.12 O ATOM 833 CB PHE A 54 -5.127 0.314 4.107 1.00 0.10 C ATOM 834 CG PHE A 54 -6.346 0.808 3.352 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.622 0.358 3.706 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.198 1.738 2.309 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.749 0.835 3.022 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.327 2.210 1.624 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.600 1.759 1.982 1.00 0.10 C ATOM 0 H PHE A 54 -6.431 -1.707 5.137 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.732 -1.303 2.721 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.282 0.441 5.178 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.259 0.916 3.837 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.739 -0.357 4.507 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.214 2.089 2.035 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.734 0.489 3.298 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.212 2.922 0.820 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.470 2.124 1.456 1.00 0.10 H new ATOM 849 N LEU A 55 -2.521 -1.912 3.786 1.00 0.09 N ATOM 850 CA LEU A 55 -1.211 -2.311 4.412 1.00 0.11 C ATOM 851 C LEU A 55 -0.181 -1.214 4.150 1.00 0.10 C ATOM 852 O LEU A 55 -0.126 -0.653 3.075 1.00 0.10 O ATOM 853 CB LEU A 55 -0.659 -3.630 3.805 1.00 0.12 C ATOM 854 CG LEU A 55 -1.486 -4.861 4.230 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.975 -4.630 3.987 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.026 -6.091 3.433 1.00 0.22 C ATOM 0 H LEU A 55 -2.525 -1.925 2.766 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.385 -2.457 5.478 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.657 -3.554 2.718 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.377 -3.765 4.117 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.329 -5.027 5.296 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.535 -5.513 4.295 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.309 -3.768 4.565 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.146 -4.444 2.927 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.611 -6.960 3.735 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.169 -5.909 2.368 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.029 -6.278 3.630 1.00 0.22 H new ATOM 868 N GLU A 56 0.662 -0.935 5.114 1.00 0.12 N ATOM 869 CA GLU A 56 1.728 0.097 4.921 1.00 0.13 C ATOM 870 C GLU A 56 3.057 -0.646 4.858 1.00 0.13 C ATOM 871 O GLU A 56 3.336 -1.489 5.688 1.00 0.14 O ATOM 872 CB GLU A 56 1.739 1.081 6.099 1.00 0.15 C ATOM 873 CG GLU A 56 2.725 2.216 5.802 1.00 0.17 C ATOM 874 CD GLU A 56 2.883 3.098 7.043 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.542 2.662 7.974 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.344 4.192 7.043 1.00 1.05 O ATOM 0 H GLU A 56 0.657 -1.381 6.032 1.00 0.12 H new ATOM 0 HA GLU A 56 1.550 0.668 4.010 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.739 1.485 6.260 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.026 0.566 7.016 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.691 1.805 5.511 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.366 2.812 4.963 1.00 0.17 H new ATOM 883 N VAL A 57 3.866 -0.373 3.864 1.00 0.12 N ATOM 884 CA VAL A 57 5.174 -1.098 3.725 1.00 0.12 C ATOM 885 C VAL A 57 6.330 -0.100 3.631 1.00 0.11 C ATOM 886 O VAL A 57 6.265 0.881 2.918 1.00 0.13 O ATOM 887 CB VAL A 57 5.143 -1.940 2.450 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.430 -2.756 2.345 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.946 -2.884 2.497 1.00 0.14 C ATOM 0 H VAL A 57 3.679 0.321 3.140 1.00 0.12 H new ATOM 0 HA VAL A 57 5.322 -1.733 4.598 1.00 0.12 H new ATOM 0 HB VAL A 57 5.058 -1.285 1.583 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.407 -3.356 1.435 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.286 -2.082 2.314 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.516 -3.413 3.211 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.921 -3.486 1.589 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.033 -3.539 3.364 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.027 -2.303 2.572 1.00 0.14 H new ATOM 899 N ASP A 58 7.395 -0.356 4.344 1.00 0.10 N ATOM 900 CA ASP A 58 8.580 0.549 4.306 1.00 0.09 C ATOM 901 C ASP A 58 9.610 -0.015 3.329 1.00 0.09 C ATOM 902 O ASP A 58 10.130 -1.094 3.526 1.00 0.09 O ATOM 903 CB ASP A 58 9.204 0.603 5.696 1.00 0.10 C ATOM 904 CG ASP A 58 10.268 1.702 5.729 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.577 2.230 4.673 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.757 1.994 6.807 1.00 1.05 O ATOM 0 H ASP A 58 7.495 -1.164 4.959 1.00 0.10 H new ATOM 0 HA ASP A 58 8.273 1.546 3.990 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.437 0.801 6.444 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.651 -0.360 5.944 1.00 0.10 H new ATOM 911 N VAL A 59 9.943 0.702 2.294 1.00 0.09 N ATOM 912 CA VAL A 59 10.960 0.170 1.347 1.00 0.10 C ATOM 913 C VAL A 59 12.297 0.089 2.073 1.00 0.11 C ATOM 914 O VAL A 59 13.197 -0.612 1.660 1.00 0.12 O ATOM 915 CB VAL A 59 11.095 1.106 0.144 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.786 1.114 -0.642 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.404 2.524 0.633 1.00 0.16 C ATOM 0 H VAL A 59 9.562 1.620 2.064 1.00 0.09 H new ATOM 0 HA VAL A 59 10.656 -0.816 0.995 1.00 0.10 H new ATOM 0 HB VAL A 59 11.904 0.758 -0.499 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.880 1.780 -1.499 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.564 0.105 -0.989 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.978 1.462 0.001 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.500 3.191 -0.223 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.595 2.872 1.275 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.337 2.519 1.196 1.00 0.16 H new ATOM 927 N ASP A 60 12.441 0.829 3.144 1.00 0.10 N ATOM 928 CA ASP A 60 13.732 0.817 3.900 1.00 0.12 C ATOM 929 C ASP A 60 13.736 -0.239 5.023 1.00 0.13 C ATOM 930 O ASP A 60 14.705 -0.953 5.189 1.00 0.15 O ATOM 931 CB ASP A 60 13.956 2.210 4.498 1.00 0.14 C ATOM 932 CG ASP A 60 14.509 3.160 3.430 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.414 2.830 2.260 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.044 4.191 3.806 1.00 1.07 O ATOM 0 H ASP A 60 11.721 1.441 3.528 1.00 0.10 H new ATOM 0 HA ASP A 60 14.535 0.556 3.210 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.018 2.600 4.892 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.651 2.147 5.335 1.00 0.14 H new ATOM 939 N ASP A 61 12.679 -0.359 5.791 1.00 0.13 N ATOM 940 CA ASP A 61 12.671 -1.384 6.893 1.00 0.15 C ATOM 941 C ASP A 61 11.998 -2.655 6.381 1.00 0.14 C ATOM 942 O ASP A 61 12.101 -3.711 6.975 1.00 0.19 O ATOM 943 CB ASP A 61 11.900 -0.851 8.107 1.00 0.16 C ATOM 944 CG ASP A 61 12.576 0.418 8.634 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.729 0.637 8.295 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.931 1.148 9.368 1.00 1.01 O ATOM 0 H ASP A 61 11.829 0.199 5.708 1.00 0.13 H new ATOM 0 HA ASP A 61 13.696 -1.598 7.195 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.868 -0.636 7.828 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.867 -1.609 8.890 1.00 0.16 H new ATOM 951 N ALA A 62 11.317 -2.552 5.271 1.00 0.11 N ATOM 952 CA ALA A 62 10.631 -3.732 4.666 1.00 0.12 C ATOM 953 C ALA A 62 11.133 -3.863 3.226 1.00 0.11 C ATOM 954 O ALA A 62 10.392 -4.172 2.314 1.00 0.12 O ATOM 955 CB ALA A 62 9.110 -3.519 4.698 1.00 0.14 C ATOM 0 H ALA A 62 11.205 -1.683 4.748 1.00 0.11 H new ATOM 0 HA ALA A 62 10.850 -4.643 5.222 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.612 -4.382 4.256 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.781 -3.400 5.730 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.856 -2.624 4.131 1.00 0.14 H new ATOM 961 N GLN A 63 12.396 -3.596 3.030 1.00 0.11 N ATOM 962 CA GLN A 63 12.995 -3.657 1.667 1.00 0.12 C ATOM 963 C GLN A 63 12.849 -5.063 1.092 1.00 0.12 C ATOM 964 O GLN A 63 12.909 -5.261 -0.103 1.00 0.14 O ATOM 965 CB GLN A 63 14.481 -3.285 1.752 1.00 0.13 C ATOM 966 CG GLN A 63 15.257 -4.393 2.468 1.00 0.15 C ATOM 967 CD GLN A 63 16.659 -3.886 2.809 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.375 -3.419 1.946 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.086 -3.960 4.041 1.00 1.43 N ATOM 0 H GLN A 63 13.048 -3.334 3.769 1.00 0.11 H new ATOM 0 HA GLN A 63 12.477 -2.955 1.014 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.885 -3.135 0.751 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.599 -2.343 2.287 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.734 -4.691 3.377 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.321 -5.277 1.833 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.485 -4.352 4.766 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.020 -3.626 4.278 1.00 1.43 H new ATOM 978 N ASP A 64 12.660 -6.045 1.923 1.00 0.13 N ATOM 979 CA ASP A 64 12.510 -7.422 1.400 1.00 0.13 C ATOM 980 C ASP A 64 11.221 -7.491 0.578 1.00 0.15 C ATOM 981 O ASP A 64 11.169 -8.118 -0.461 1.00 0.16 O ATOM 982 CB ASP A 64 12.458 -8.409 2.569 1.00 0.17 C ATOM 983 CG ASP A 64 11.431 -7.942 3.599 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.277 -7.822 3.238 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.817 -7.722 4.735 1.00 1.02 O ATOM 0 H ASP A 64 12.603 -5.952 2.937 1.00 0.13 H new ATOM 0 HA ASP A 64 13.357 -7.685 0.766 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.196 -9.403 2.206 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.441 -8.489 3.033 1.00 0.17 H new ATOM 990 N VAL A 65 10.184 -6.836 1.032 1.00 0.17 N ATOM 991 CA VAL A 65 8.903 -6.855 0.275 1.00 0.22 C ATOM 992 C VAL A 65 9.054 -6.031 -1.008 1.00 0.22 C ATOM 993 O VAL A 65 8.632 -6.432 -2.074 1.00 0.26 O ATOM 994 CB VAL A 65 7.796 -6.206 1.121 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.439 -6.459 0.455 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.800 -6.782 2.546 1.00 0.32 C ATOM 0 H VAL A 65 10.171 -6.290 1.894 1.00 0.17 H new ATOM 0 HA VAL A 65 8.649 -7.888 0.039 1.00 0.22 H new ATOM 0 HB VAL A 65 7.977 -5.133 1.186 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.650 -6.001 1.051 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.438 -6.024 -0.545 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.263 -7.532 0.384 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.010 -6.311 3.131 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.629 -7.858 2.504 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.764 -6.586 3.015 1.00 0.32 H new ATOM 1006 N ALA A 66 9.633 -4.865 -0.897 1.00 0.19 N ATOM 1007 CA ALA A 66 9.794 -3.985 -2.090 1.00 0.22 C ATOM 1008 C ALA A 66 10.824 -4.568 -3.064 1.00 0.23 C ATOM 1009 O ALA A 66 10.678 -4.466 -4.265 1.00 0.26 O ATOM 1010 CB ALA A 66 10.243 -2.588 -1.633 1.00 0.25 C ATOM 0 H ALA A 66 10.003 -4.483 -0.027 1.00 0.19 H new ATOM 0 HA ALA A 66 8.837 -3.916 -2.607 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.362 -1.941 -2.502 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.492 -2.165 -0.966 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.194 -2.666 -1.106 1.00 0.25 H new ATOM 1016 N SER A 67 11.873 -5.160 -2.563 1.00 0.21 N ATOM 1017 CA SER A 67 12.908 -5.723 -3.477 1.00 0.23 C ATOM 1018 C SER A 67 12.283 -6.797 -4.371 1.00 0.23 C ATOM 1019 O SER A 67 12.600 -6.909 -5.539 1.00 0.24 O ATOM 1020 CB SER A 67 14.042 -6.335 -2.651 1.00 0.23 C ATOM 1021 OG SER A 67 13.523 -7.373 -1.829 1.00 0.22 O ATOM 0 H SER A 67 12.058 -5.278 -1.567 1.00 0.21 H new ATOM 0 HA SER A 67 13.306 -4.925 -4.104 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.814 -6.731 -3.311 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.512 -5.569 -2.034 1.00 0.23 H new ATOM 0 HG SER A 67 12.582 -7.190 -1.626 1.00 0.22 H new ATOM 1027 N GLU A 68 11.391 -7.579 -3.837 1.00 0.23 N ATOM 1028 CA GLU A 68 10.735 -8.640 -4.654 1.00 0.25 C ATOM 1029 C GLU A 68 9.912 -8.000 -5.774 1.00 0.22 C ATOM 1030 O GLU A 68 9.856 -8.495 -6.881 1.00 0.24 O ATOM 1031 CB GLU A 68 9.826 -9.475 -3.749 1.00 0.29 C ATOM 1032 CG GLU A 68 9.257 -10.668 -4.525 1.00 0.32 C ATOM 1033 CD GLU A 68 10.364 -11.692 -4.785 1.00 1.27 C ATOM 1034 OE1 GLU A 68 11.466 -11.483 -4.304 1.00 2.06 O ATOM 1035 OE2 GLU A 68 10.091 -12.669 -5.463 1.00 1.96 O ATOM 0 H GLU A 68 11.085 -7.531 -2.865 1.00 0.23 H new ATOM 0 HA GLU A 68 11.495 -9.281 -5.101 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.388 -9.829 -2.884 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.012 -8.857 -3.369 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.448 -11.129 -3.959 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.832 -10.330 -5.470 1.00 0.32 H new ATOM 1042 N ALA A 69 9.257 -6.910 -5.486 1.00 0.20 N ATOM 1043 CA ALA A 69 8.419 -6.239 -6.518 1.00 0.20 C ATOM 1044 C ALA A 69 9.293 -5.336 -7.393 1.00 0.19 C ATOM 1045 O ALA A 69 8.818 -4.724 -8.329 1.00 0.20 O ATOM 1046 CB ALA A 69 7.346 -5.403 -5.818 1.00 0.23 C ATOM 0 H ALA A 69 9.266 -6.453 -4.574 1.00 0.20 H new ATOM 0 HA ALA A 69 7.946 -6.989 -7.152 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.726 -4.907 -6.565 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.723 -6.052 -5.203 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.823 -4.653 -5.187 1.00 0.23 H new ATOM 1052 N GLU A 70 10.561 -5.239 -7.090 1.00 0.18 N ATOM 1053 CA GLU A 70 11.463 -4.368 -7.905 1.00 0.18 C ATOM 1054 C GLU A 70 10.896 -2.954 -7.954 1.00 0.17 C ATOM 1055 O GLU A 70 10.764 -2.373 -9.013 1.00 0.18 O ATOM 1056 CB GLU A 70 11.592 -4.894 -9.338 1.00 0.22 C ATOM 1057 CG GLU A 70 12.229 -6.281 -9.337 1.00 0.24 C ATOM 1058 CD GLU A 70 13.684 -6.181 -8.875 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.230 -5.092 -8.931 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.228 -7.196 -8.474 1.00 2.02 O ATOM 0 H GLU A 70 11.012 -5.724 -6.314 1.00 0.18 H new ATOM 0 HA GLU A 70 12.448 -4.370 -7.438 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.609 -4.938 -9.806 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.197 -4.209 -9.931 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.673 -6.946 -8.677 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.184 -6.713 -10.337 1.00 0.24 H new ATOM 1067 N VAL A 71 10.548 -2.388 -6.833 1.00 0.15 N ATOM 1068 CA VAL A 71 9.976 -1.016 -6.873 1.00 0.14 C ATOM 1069 C VAL A 71 11.037 -0.063 -7.414 1.00 0.14 C ATOM 1070 O VAL A 71 12.172 -0.066 -6.978 1.00 0.16 O ATOM 1071 CB VAL A 71 9.575 -0.574 -5.463 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.848 0.771 -5.550 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.643 -1.620 -4.841 1.00 0.15 C ATOM 0 H VAL A 71 10.633 -2.807 -5.907 1.00 0.15 H new ATOM 0 HA VAL A 71 9.093 -1.006 -7.513 1.00 0.14 H new ATOM 0 HB VAL A 71 10.465 -0.473 -4.843 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.559 1.094 -4.550 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.510 1.514 -5.994 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.957 0.664 -6.169 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.359 -1.303 -3.837 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.749 -1.722 -5.456 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.158 -2.579 -4.787 1.00 0.15 H new ATOM 1083 N LYS A 72 10.676 0.735 -8.385 1.00 0.15 N ATOM 1084 CA LYS A 72 11.651 1.681 -8.991 1.00 0.16 C ATOM 1085 C LYS A 72 11.423 3.102 -8.462 1.00 0.15 C ATOM 1086 O LYS A 72 12.232 3.982 -8.676 1.00 0.16 O ATOM 1087 CB LYS A 72 11.476 1.658 -10.512 1.00 0.19 C ATOM 1088 CG LYS A 72 11.735 0.235 -11.040 1.00 0.23 C ATOM 1089 CD LYS A 72 12.007 0.289 -12.547 1.00 0.74 C ATOM 1090 CE LYS A 72 12.284 -1.124 -13.068 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.501 -1.672 -12.404 1.00 1.60 N ATOM 0 H LYS A 72 9.739 0.770 -8.785 1.00 0.15 H new ATOM 0 HA LYS A 72 12.663 1.377 -8.725 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.468 1.977 -10.777 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.166 2.361 -10.978 1.00 0.19 H new ATOM 0 HG2 LYS A 72 12.586 -0.207 -10.522 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.873 -0.401 -10.838 1.00 0.23 H new ATOM 0 HD2 LYS A 72 11.150 0.718 -13.067 1.00 0.74 H new ATOM 0 HD3 LYS A 72 12.860 0.937 -12.750 1.00 0.74 H new ATOM 0 HE2 LYS A 72 11.428 -1.769 -12.871 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.425 -1.103 -14.149 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.894 -2.443 -12.981 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 14.211 -0.918 -12.303 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.249 -2.038 -11.464 1.00 1.60 H new ATOM 1105 N ALA A 73 10.337 3.346 -7.773 1.00 0.13 N ATOM 1106 CA ALA A 73 10.104 4.724 -7.251 1.00 0.13 C ATOM 1107 C ALA A 73 9.020 4.723 -6.159 1.00 0.11 C ATOM 1108 O ALA A 73 8.168 3.863 -6.121 1.00 0.12 O ATOM 1109 CB ALA A 73 9.674 5.618 -8.409 1.00 0.14 C ATOM 0 H ALA A 73 9.613 2.662 -7.553 1.00 0.13 H new ATOM 0 HA ALA A 73 11.026 5.099 -6.807 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.500 6.630 -8.042 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.459 5.636 -9.165 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.756 5.228 -8.848 1.00 0.14 H new ATOM 1115 N THR A 74 9.039 5.706 -5.286 1.00 0.11 N ATOM 1116 CA THR A 74 8.010 5.806 -4.194 1.00 0.11 C ATOM 1117 C THR A 74 7.425 7.226 -4.202 1.00 0.12 C ATOM 1118 O THR A 74 8.090 8.145 -4.616 1.00 0.15 O ATOM 1119 CB THR A 74 8.698 5.555 -2.840 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.538 6.651 -2.541 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.517 4.271 -2.893 1.00 0.14 C ATOM 0 H THR A 74 9.733 6.454 -5.283 1.00 0.11 H new ATOM 0 HA THR A 74 7.219 5.073 -4.350 1.00 0.11 H new ATOM 0 HB THR A 74 7.941 5.449 -2.063 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.979 6.500 -1.679 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.998 4.106 -1.929 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.861 3.430 -3.120 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.278 4.357 -3.668 1.00 0.14 H new ATOM 1129 N PRO A 75 6.219 7.440 -3.713 1.00 0.13 N ATOM 1130 CA PRO A 75 5.333 6.362 -3.181 1.00 0.10 C ATOM 1131 C PRO A 75 4.693 5.514 -4.282 1.00 0.09 C ATOM 1132 O PRO A 75 4.278 6.015 -5.309 1.00 0.10 O ATOM 1133 CB PRO A 75 4.269 7.174 -2.420 1.00 0.12 C ATOM 1134 CG PRO A 75 4.297 8.603 -2.980 1.00 0.15 C ATOM 1135 CD PRO A 75 5.660 8.819 -3.658 1.00 0.16 C ATOM 0 HA PRO A 75 5.872 5.636 -2.573 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.282 6.730 -2.549 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.480 7.176 -1.351 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.488 8.748 -3.696 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.149 9.329 -2.180 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.554 9.253 -4.652 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.296 9.492 -3.083 1.00 0.16 H new ATOM 1143 N THR A 76 4.576 4.234 -4.042 1.00 0.09 N ATOM 1144 CA THR A 76 3.930 3.321 -5.031 1.00 0.09 C ATOM 1145 C THR A 76 2.840 2.535 -4.323 1.00 0.10 C ATOM 1146 O THR A 76 3.019 2.058 -3.219 1.00 0.12 O ATOM 1147 CB THR A 76 4.952 2.345 -5.616 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.999 3.073 -6.229 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.271 1.448 -6.659 1.00 0.13 C ATOM 0 H THR A 76 4.905 3.777 -3.192 1.00 0.09 H new ATOM 0 HA THR A 76 3.512 3.914 -5.844 1.00 0.09 H new ATOM 0 HB THR A 76 5.358 1.724 -4.818 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.736 3.185 -5.593 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.001 0.754 -7.074 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.465 0.887 -6.186 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.862 2.066 -7.459 1.00 0.13 H new ATOM 1157 N PHE A 77 1.710 2.411 -4.948 1.00 0.10 N ATOM 1158 CA PHE A 77 0.570 1.661 -4.341 1.00 0.10 C ATOM 1159 C PHE A 77 0.302 0.418 -5.180 1.00 0.10 C ATOM 1160 O PHE A 77 0.171 0.495 -6.384 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.669 2.554 -4.345 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.389 3.792 -3.532 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.605 3.787 -2.148 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.093 4.946 -4.163 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.339 4.937 -1.394 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.358 6.097 -3.410 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.142 6.093 -2.025 1.00 0.19 C ATOM 0 H PHE A 77 1.519 2.802 -5.870 1.00 0.10 H new ATOM 0 HA PHE A 77 0.809 1.372 -3.317 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.932 2.827 -5.367 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.521 2.016 -3.929 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.977 2.897 -1.662 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.260 4.948 -5.230 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.504 4.933 -0.327 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.729 6.987 -3.896 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.346 6.980 -1.444 1.00 0.19 H new ATOM 1177 N GLN A 78 0.206 -0.730 -4.556 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.061 -1.988 -5.319 1.00 0.09 C ATOM 1179 C GLN A 78 -1.330 -2.620 -4.785 1.00 0.08 C ATOM 1180 O GLN A 78 -1.600 -2.601 -3.599 1.00 0.09 O ATOM 1181 CB GLN A 78 1.113 -2.952 -5.151 1.00 0.09 C ATOM 1182 CG GLN A 78 2.326 -2.395 -5.900 1.00 0.12 C ATOM 1183 CD GLN A 78 3.444 -3.435 -5.918 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.187 -4.622 -5.924 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.685 -3.035 -5.927 1.00 0.29 N ATOM 0 H GLN A 78 0.301 -0.850 -3.548 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.180 -1.763 -6.379 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.348 -3.078 -4.094 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.850 -3.936 -5.539 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.046 -2.131 -6.920 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.674 -1.481 -5.419 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.899 -2.038 -5.922 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.441 -3.719 -5.939 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.126 -3.156 -5.662 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.416 -3.774 -5.243 1.00 0.07 C ATOM 1196 C PHE A 79 -3.348 -5.290 -5.341 1.00 0.07 C ATOM 1197 O PHE A 79 -2.932 -5.844 -6.338 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.511 -3.241 -6.159 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.641 -1.763 -5.903 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.754 -0.864 -6.509 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.626 -1.296 -5.034 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.860 0.505 -6.245 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.729 0.071 -4.762 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.847 0.973 -5.369 1.00 0.12 C ATOM 0 H PHE A 79 -1.938 -3.194 -6.664 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.626 -3.519 -4.204 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.261 -3.428 -7.203 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.455 -3.748 -5.962 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.989 -1.228 -7.179 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.310 -1.991 -4.570 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.181 1.201 -6.716 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.489 0.431 -4.084 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.928 2.030 -5.162 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.779 -5.958 -4.302 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.774 -7.449 -4.287 1.00 0.08 C ATOM 1216 C PHE A 80 -5.166 -7.959 -3.923 1.00 0.09 C ATOM 1217 O PHE A 80 -5.897 -7.333 -3.182 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.767 -7.954 -3.250 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.361 -7.771 -3.761 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.656 -6.584 -3.505 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.751 -8.808 -4.477 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.656 -6.440 -3.972 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.562 -8.664 -4.939 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.265 -7.479 -4.686 1.00 0.15 C ATOM 0 H PHE A 80 -4.139 -5.525 -3.451 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.493 -7.815 -5.274 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.895 -7.412 -2.313 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.950 -9.007 -3.036 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.124 -5.785 -2.950 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.295 -9.720 -4.673 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.199 -5.526 -3.781 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.033 -9.465 -5.490 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.278 -7.367 -5.042 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.529 -9.107 -4.429 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.864 -9.680 -4.108 1.00 0.12 C ATOM 1236 C LYS A 81 -6.736 -11.198 -4.147 1.00 0.11 C ATOM 1237 O LYS A 81 -6.272 -11.754 -5.120 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.881 -9.216 -5.152 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.297 -9.415 -4.618 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.300 -9.083 -5.724 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.690 -8.894 -5.125 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.610 -8.408 -6.189 1.00 1.68 N ATOM 0 H LYS A 81 -4.955 -9.673 -5.053 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.201 -9.352 -3.124 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.717 -8.165 -5.391 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.749 -9.778 -6.077 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.432 -10.444 -4.284 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.466 -8.774 -3.752 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.993 -8.176 -6.245 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.319 -9.884 -6.463 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.054 -9.835 -4.712 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.653 -8.179 -4.303 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.562 -8.276 -5.791 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.261 -7.502 -6.562 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.651 -9.106 -6.958 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.103 -11.869 -3.095 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.970 -13.353 -3.075 1.00 0.13 C ATOM 1258 C LYS A 82 -5.498 -13.693 -3.296 1.00 0.13 C ATOM 1259 O LYS A 82 -5.162 -14.732 -3.828 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.826 -14.006 -4.173 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.312 -13.789 -3.879 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.145 -14.769 -4.707 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.615 -14.348 -4.675 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.426 -15.321 -5.459 1.00 1.22 N ATOM 0 H LYS A 82 -7.490 -11.456 -2.246 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.320 -13.736 -2.116 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.573 -13.580 -5.144 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.610 -15.073 -4.227 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.509 -13.935 -2.817 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.595 -12.764 -4.117 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.785 -14.790 -5.735 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.037 -15.779 -4.311 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.971 -14.308 -3.645 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.727 -13.347 -5.090 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.426 -15.036 -5.438 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.091 -15.338 -6.444 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.328 -16.269 -5.043 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.613 -12.816 -2.899 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.162 -13.079 -3.091 1.00 0.16 C ATOM 1280 C GLY A 83 -2.770 -12.821 -4.549 1.00 0.16 C ATOM 1281 O GLY A 83 -1.700 -13.203 -4.979 1.00 0.23 O ATOM 0 H GLY A 83 -4.836 -11.928 -2.449 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.578 -12.439 -2.430 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.932 -14.110 -2.821 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.626 -12.174 -5.318 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.301 -11.899 -6.763 1.00 0.15 C ATOM 1287 C GLN A 84 -3.165 -10.395 -7.002 1.00 0.12 C ATOM 1288 O GLN A 84 -3.992 -9.616 -6.585 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.434 -12.408 -7.667 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.679 -13.905 -7.452 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.447 -14.704 -7.868 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.430 -15.326 -8.912 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.411 -14.715 -7.085 1.00 2.07 N ATOM 0 H GLN A 84 -4.533 -11.826 -5.007 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.365 -12.408 -6.995 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.348 -11.853 -7.457 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.181 -12.224 -8.711 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.909 -14.097 -6.404 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.544 -14.227 -8.032 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.428 -14.192 -6.209 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.580 -15.247 -7.346 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.141 -9.990 -7.714 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.951 -8.539 -8.021 1.00 0.12 C ATOM 1304 C LYS A 85 -2.843 -8.172 -9.206 1.00 0.14 C ATOM 1305 O LYS A 85 -2.743 -8.759 -10.266 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.488 -8.308 -8.399 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.224 -6.815 -8.567 1.00 0.20 C ATOM 1308 CD LYS A 85 1.209 -6.614 -9.060 1.00 0.28 C ATOM 1309 CE LYS A 85 1.532 -5.122 -9.077 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.889 -4.912 -9.656 1.00 1.82 N ATOM 0 H LYS A 85 -1.425 -10.607 -8.097 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.211 -7.927 -7.157 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.165 -8.717 -7.628 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.255 -8.834 -9.325 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.930 -6.386 -9.278 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.372 -6.298 -7.619 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.907 -7.141 -8.410 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.324 -7.034 -10.059 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.788 -4.585 -9.665 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.491 -4.719 -8.065 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.108 -3.895 -9.667 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.594 -5.412 -9.078 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.913 -5.282 -10.628 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.727 -7.219 -9.028 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.648 -6.812 -10.138 1.00 0.18 C ATOM 1326 C VAL A 86 -4.541 -5.306 -10.403 1.00 0.17 C ATOM 1327 O VAL A 86 -5.396 -4.726 -11.042 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.088 -7.171 -9.754 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.238 -8.697 -9.701 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.416 -6.584 -8.379 1.00 0.26 C ATOM 0 H VAL A 86 -3.851 -6.703 -8.157 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.365 -7.342 -11.047 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.771 -6.760 -10.497 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.262 -8.953 -9.428 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.007 -9.119 -10.679 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.552 -9.104 -8.958 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.440 -6.841 -8.109 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.731 -6.993 -7.636 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.310 -5.500 -8.412 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.509 -4.658 -9.925 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.393 -3.190 -10.185 1.00 0.17 C ATOM 1342 C GLY A 87 -2.132 -2.616 -9.535 1.00 0.12 C ATOM 1343 O GLY A 87 -1.614 -3.150 -8.574 1.00 0.17 O ATOM 0 H GLY A 87 -2.755 -5.071 -9.376 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.368 -3.008 -11.259 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.273 -2.677 -9.796 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.644 -1.521 -10.062 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.422 -0.881 -9.496 1.00 0.13 C ATOM 1349 C GLU A 88 -0.270 0.516 -10.113 1.00 0.11 C ATOM 1350 O GLU A 88 -0.638 0.741 -11.248 1.00 0.14 O ATOM 1351 CB GLU A 88 0.795 -1.797 -9.818 1.00 0.21 C ATOM 1352 CG GLU A 88 2.068 -1.003 -10.168 1.00 0.58 C ATOM 1353 CD GLU A 88 2.451 -0.095 -9.003 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.707 -0.059 -8.042 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.485 0.546 -9.090 1.00 1.93 O ATOM 0 H GLU A 88 -2.045 -1.041 -10.867 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.489 -0.764 -8.414 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.997 -2.438 -8.960 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.540 -2.451 -10.652 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.885 -1.689 -10.390 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.900 -0.407 -11.065 1.00 0.58 H new ATOM 1362 N PHE A 89 0.295 1.447 -9.388 1.00 0.10 N ATOM 1363 CA PHE A 89 0.499 2.813 -9.964 1.00 0.09 C ATOM 1364 C PHE A 89 1.424 3.624 -9.042 1.00 0.10 C ATOM 1365 O PHE A 89 1.576 3.311 -7.878 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.857 3.517 -10.161 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.383 4.105 -8.865 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.824 5.286 -8.360 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.447 3.491 -8.191 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.328 5.854 -7.182 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.948 4.055 -7.009 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.390 5.239 -6.507 1.00 0.14 C ATOM 0 H PHE A 89 0.622 1.324 -8.430 1.00 0.10 H new ATOM 0 HA PHE A 89 0.973 2.731 -10.942 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.750 4.309 -10.902 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.581 2.805 -10.557 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.004 5.759 -8.879 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.881 2.583 -8.582 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.898 6.766 -6.795 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.763 3.578 -6.486 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.779 5.677 -5.600 1.00 0.14 H new ATOM 1382 N SER A 90 2.053 4.657 -9.562 1.00 0.10 N ATOM 1383 CA SER A 90 2.987 5.498 -8.735 1.00 0.10 C ATOM 1384 C SER A 90 2.604 6.976 -8.838 1.00 0.09 C ATOM 1385 O SER A 90 1.901 7.383 -9.742 1.00 0.11 O ATOM 1386 CB SER A 90 4.418 5.342 -9.247 1.00 0.11 C ATOM 1387 OG SER A 90 4.479 5.765 -10.604 1.00 0.12 O ATOM 0 H SER A 90 1.958 4.956 -10.533 1.00 0.10 H new ATOM 0 HA SER A 90 2.916 5.166 -7.699 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.101 5.934 -8.638 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.736 4.303 -9.163 1.00 0.11 H new ATOM 0 HG SER A 90 5.396 5.668 -10.936 1.00 0.12 H new ATOM 1393 N GLY A 91 3.079 7.783 -7.919 1.00 0.09 N ATOM 1394 CA GLY A 91 2.773 9.254 -7.949 1.00 0.09 C ATOM 1395 C GLY A 91 2.076 9.670 -6.651 1.00 0.10 C ATOM 1396 O GLY A 91 1.277 8.938 -6.105 1.00 0.12 O ATOM 0 H GLY A 91 3.670 7.486 -7.143 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.694 9.823 -8.075 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.136 9.484 -8.803 1.00 0.09 H new ATOM 1400 N ALA A 92 2.374 10.843 -6.145 1.00 0.11 N ATOM 1401 CA ALA A 92 1.724 11.286 -4.876 1.00 0.14 C ATOM 1402 C ALA A 92 0.288 11.754 -5.151 1.00 0.13 C ATOM 1403 O ALA A 92 -0.047 12.904 -4.945 1.00 0.17 O ATOM 1404 CB ALA A 92 2.522 12.452 -4.283 1.00 0.18 C ATOM 0 H ALA A 92 3.033 11.506 -6.553 1.00 0.11 H new ATOM 0 HA ALA A 92 1.701 10.449 -4.178 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.052 12.780 -3.356 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.542 12.128 -4.078 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.540 13.279 -4.993 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.568 10.857 -5.584 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.999 11.218 -5.850 1.00 0.14 C ATOM 1412 C ASN A 93 -2.885 10.381 -4.924 1.00 0.13 C ATOM 1413 O ASN A 93 -3.180 9.235 -5.199 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.336 10.896 -7.308 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.706 11.481 -7.668 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.198 11.274 -8.759 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.346 12.209 -6.794 1.00 0.75 N ATOM 0 H ASN A 93 -0.334 9.881 -5.766 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.164 12.280 -5.669 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.571 11.307 -7.967 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.341 9.817 -7.460 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.257 12.603 -7.028 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.935 12.384 -5.877 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.303 10.940 -3.823 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.157 10.175 -2.869 1.00 0.15 C ATOM 1426 C LYS A 94 -5.558 9.929 -3.443 1.00 0.15 C ATOM 1427 O LYS A 94 -6.175 8.917 -3.172 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.279 10.977 -1.573 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.726 12.434 -1.872 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.585 13.416 -1.583 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.126 14.839 -1.659 1.00 0.59 C ATOM 1432 NZ LYS A 94 -4.611 15.107 -3.042 1.00 1.06 N ATOM 0 H LYS A 94 -3.090 11.897 -3.541 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.692 9.206 -2.685 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.999 10.499 -0.909 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.322 10.984 -1.052 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.032 12.520 -2.915 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.594 12.687 -1.263 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.165 13.225 -0.596 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.779 13.280 -2.304 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.938 14.970 -0.944 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -3.346 15.552 -1.390 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -4.742 16.131 -3.172 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -3.913 14.757 -3.729 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -5.518 14.620 -3.192 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.068 10.836 -4.231 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.428 10.640 -4.805 1.00 0.15 C ATOM 1448 C GLU A 95 -7.422 9.415 -5.713 1.00 0.15 C ATOM 1449 O GLU A 95 -8.414 8.733 -5.875 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.808 11.870 -5.628 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.877 13.099 -4.719 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.051 12.960 -3.749 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.940 12.172 -4.029 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.042 13.645 -2.738 1.00 1.55 O ATOM 0 H GLU A 95 -5.602 11.702 -4.501 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.148 10.497 -3.999 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.075 12.031 -6.418 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.771 11.711 -6.114 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.945 13.205 -4.164 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.994 14.001 -5.320 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.307 9.154 -6.320 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.197 7.998 -7.245 1.00 0.15 C ATOM 1463 C LYS A 96 -6.478 6.704 -6.483 1.00 0.14 C ATOM 1464 O LYS A 96 -7.054 5.773 -7.010 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.781 7.984 -7.803 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.671 7.013 -8.983 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.430 7.369 -9.804 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.283 6.393 -10.971 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.105 6.787 -11.791 1.00 1.45 N ATOM 0 H LYS A 96 -5.452 9.700 -6.214 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.920 8.081 -8.057 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.502 8.987 -8.125 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.080 7.694 -7.021 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.602 5.987 -8.622 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.564 7.073 -9.605 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.511 8.389 -10.179 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.542 7.332 -9.173 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.158 5.377 -10.598 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.185 6.399 -11.582 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.000 6.126 -12.587 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.243 7.751 -12.157 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.248 6.760 -11.203 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.085 6.641 -5.242 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.342 5.415 -4.442 1.00 0.13 C ATOM 1485 C LEU A 97 -7.843 5.177 -4.389 1.00 0.14 C ATOM 1486 O LEU A 97 -8.319 4.061 -4.411 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.866 5.641 -3.005 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.335 5.652 -2.925 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.925 6.256 -1.574 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.767 4.208 -3.063 1.00 0.19 C ATOM 0 H LEU A 97 -5.596 7.387 -4.748 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.821 4.570 -4.893 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.259 6.587 -2.633 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.261 4.856 -2.360 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.930 6.249 -3.742 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.838 6.273 -1.498 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.310 7.273 -1.498 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.336 5.652 -0.765 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.679 4.238 -3.004 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.157 3.585 -2.258 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.067 3.789 -4.024 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.583 6.236 -4.288 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.065 6.111 -4.185 1.00 0.15 C ATOM 1504 C GLU A 98 -10.664 5.501 -5.454 1.00 0.16 C ATOM 1505 O GLU A 98 -11.566 4.689 -5.393 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.666 7.503 -3.967 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.177 7.393 -3.737 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.775 8.794 -3.621 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.058 9.746 -3.884 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -13.939 8.894 -3.271 1.00 2.10 O ATOM 0 H GLU A 98 -8.228 7.192 -4.272 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.298 5.453 -3.348 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.193 7.982 -3.109 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.467 8.134 -4.834 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.643 6.854 -4.561 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.378 6.824 -2.829 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.204 5.904 -6.600 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.794 5.365 -7.861 1.00 0.17 C ATOM 1519 C ALA A 99 -10.470 3.878 -8.044 1.00 0.16 C ATOM 1520 O ALA A 99 -11.320 3.097 -8.424 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.258 6.157 -9.055 1.00 0.19 C ATOM 0 H ALA A 99 -9.450 6.579 -6.723 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.877 5.468 -7.798 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.689 5.763 -9.976 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.530 7.207 -8.947 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.173 6.066 -9.094 1.00 0.19 H new ATOM 1527 N THR A 100 -9.255 3.476 -7.800 1.00 0.16 N ATOM 1528 CA THR A 100 -8.909 2.038 -7.993 1.00 0.16 C ATOM 1529 C THR A 100 -9.679 1.180 -6.981 1.00 0.15 C ATOM 1530 O THR A 100 -10.153 0.108 -7.302 1.00 0.15 O ATOM 1531 CB THR A 100 -7.402 1.835 -7.824 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.707 2.770 -8.639 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.032 0.413 -8.255 1.00 0.20 C ATOM 0 H THR A 100 -8.492 4.072 -7.479 1.00 0.16 H new ATOM 0 HA THR A 100 -9.190 1.733 -9.001 1.00 0.16 H new ATOM 0 HB THR A 100 -7.127 1.985 -6.780 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.741 2.643 -8.531 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.959 0.264 -8.136 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.569 -0.306 -7.636 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.305 0.267 -9.300 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.824 1.645 -5.768 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.583 0.854 -4.749 1.00 0.13 C ATOM 1543 C ILE A 101 -12.004 0.652 -5.258 1.00 0.14 C ATOM 1544 O ILE A 101 -12.518 -0.446 -5.290 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.621 1.639 -3.427 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.226 1.632 -2.785 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.635 1.004 -2.471 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.123 2.754 -1.748 1.00 0.16 C ATOM 0 H ILE A 101 -9.452 2.535 -5.437 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.103 -0.111 -4.583 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.921 2.667 -3.629 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.039 0.669 -2.311 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.463 1.763 -3.552 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.656 1.566 -1.537 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.625 1.021 -2.927 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.347 -0.027 -2.268 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.131 2.743 -1.297 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.290 3.715 -2.234 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.875 2.604 -0.974 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.629 1.711 -5.672 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.007 1.612 -6.211 1.00 0.20 C ATOM 1562 C ASN A 102 -13.985 0.691 -7.427 1.00 0.19 C ATOM 1563 O ASN A 102 -14.918 -0.026 -7.707 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.481 3.004 -6.633 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.935 2.937 -7.098 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.242 2.295 -8.084 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.844 3.586 -6.429 1.00 0.55 N ATOM 0 H ASN A 102 -12.239 2.653 -5.660 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.683 1.214 -5.454 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.388 3.698 -5.798 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.850 3.385 -7.436 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.818 3.557 -6.731 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.582 4.123 -5.602 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.921 0.742 -8.168 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.815 -0.089 -9.391 1.00 0.18 C ATOM 1576 C GLU A 103 -12.724 -1.574 -9.009 1.00 0.16 C ATOM 1577 O GLU A 103 -13.297 -2.425 -9.659 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.540 0.328 -10.131 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.530 -0.259 -11.547 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.289 -1.767 -11.487 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.191 -2.157 -11.124 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.206 -2.506 -11.804 1.00 2.21 O ATOM 0 H GLU A 103 -12.111 1.331 -7.976 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.692 0.054 -10.023 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.479 1.415 -10.180 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.664 -0.016 -9.581 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.480 -0.054 -12.041 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.751 0.218 -12.142 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.994 -1.892 -7.966 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.846 -3.323 -7.548 1.00 0.14 C ATOM 1591 C LEU A 104 -12.786 -3.667 -6.379 1.00 0.13 C ATOM 1592 O LEU A 104 -12.813 -4.794 -5.923 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.402 -3.569 -7.099 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.424 -3.442 -8.274 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.991 -3.530 -7.739 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.663 -4.569 -9.297 1.00 0.25 C ATOM 0 H LEU A 104 -11.493 -1.220 -7.385 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.103 -3.952 -8.400 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.134 -2.854 -6.321 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.320 -4.563 -6.660 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.581 -2.484 -8.770 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.287 -3.441 -8.567 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.818 -2.723 -7.027 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.847 -4.489 -7.242 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.961 -4.464 -10.124 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.514 -5.535 -8.815 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.683 -4.506 -9.676 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.548 -2.731 -5.872 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.448 -3.075 -4.727 1.00 0.15 C ATOM 1610 C VAL A 105 -15.516 -4.064 -5.208 1.00 0.16 C ATOM 1611 O VAL A 105 -16.143 -3.784 -6.216 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.133 -1.818 -4.167 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.216 -1.325 -5.137 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.783 -2.162 -2.820 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.688 -5.082 -4.558 1.00 1.08 O ATOM 0 H VAL A 105 -13.588 -1.763 -6.192 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.848 -3.522 -3.934 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.388 -1.033 -4.038 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.693 -0.434 -4.728 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.761 -1.084 -6.098 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.964 -2.106 -5.275 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.272 -1.276 -2.415 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.522 -2.950 -2.963 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -15.018 -2.505 -2.124 1.00 0.19 H new ATOM 1683 N LYS B 63 7.023 14.901 -5.810 1.00 0.19 N ATOM 1684 CA LYS B 63 5.900 13.924 -5.913 1.00 0.14 C ATOM 1685 C LYS B 63 6.448 12.497 -5.870 1.00 0.12 C ATOM 1686 O LYS B 63 5.751 11.572 -5.496 1.00 0.12 O ATOM 1687 CB LYS B 63 5.162 14.140 -7.238 1.00 0.17 C ATOM 1688 CG LYS B 63 4.540 15.546 -7.279 1.00 0.20 C ATOM 1689 CD LYS B 63 3.232 15.580 -6.476 1.00 0.40 C ATOM 1690 CE LYS B 63 2.480 16.879 -6.772 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.226 16.909 -5.969 1.00 1.31 N ATOM 0 HA LYS B 63 5.216 14.073 -5.078 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.853 14.016 -8.072 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.383 13.387 -7.355 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.243 16.273 -6.871 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.347 15.834 -8.312 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.612 14.722 -6.736 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.446 15.507 -5.410 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.104 17.739 -6.528 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.248 16.945 -7.835 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.709 17.790 -6.165 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.631 16.095 -6.223 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.461 16.863 -4.957 1.00 1.31 H new ATOM 1705 N ILE B 64 7.682 12.315 -6.274 1.00 0.11 N ATOM 1706 CA ILE B 64 8.310 10.947 -6.278 1.00 0.11 C ATOM 1707 C ILE B 64 9.664 11.003 -5.553 1.00 0.10 C ATOM 1708 O ILE B 64 10.421 11.935 -5.720 1.00 0.11 O ATOM 1709 CB ILE B 64 8.530 10.511 -7.736 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.178 10.283 -8.436 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.356 9.225 -7.791 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.337 9.234 -7.687 1.00 0.15 C ATOM 0 H ILE B 64 8.292 13.062 -6.606 1.00 0.11 H new ATOM 0 HA ILE B 64 7.658 10.237 -5.769 1.00 0.11 H new ATOM 0 HB ILE B 64 9.071 11.305 -8.251 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.629 11.223 -8.489 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.347 9.954 -9.461 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.502 8.931 -8.830 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.325 9.395 -7.322 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.830 8.432 -7.260 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.387 9.093 -8.203 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.878 8.288 -7.657 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.149 9.577 -6.670 1.00 0.15 H new ATOM 1724 N CYS B 65 9.985 10.002 -4.765 1.00 0.09 N ATOM 1725 CA CYS B 65 11.305 9.986 -4.057 1.00 0.10 C ATOM 1726 C CYS B 65 12.238 9.063 -4.850 1.00 0.10 C ATOM 1727 O CYS B 65 11.886 7.944 -5.170 1.00 0.11 O ATOM 1728 CB CYS B 65 11.151 9.456 -2.617 1.00 0.10 C ATOM 1729 SG CYS B 65 9.691 10.181 -1.815 1.00 0.19 S ATOM 0 H CYS B 65 9.388 9.195 -4.582 1.00 0.09 H new ATOM 0 HA CYS B 65 11.708 10.997 -3.996 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.061 8.370 -2.632 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.044 9.694 -2.040 1.00 0.10 H new ATOM 1734 N SER B 66 13.407 9.524 -5.206 1.00 0.12 N ATOM 1735 CA SER B 66 14.329 8.668 -6.018 1.00 0.14 C ATOM 1736 C SER B 66 15.056 7.644 -5.135 1.00 0.14 C ATOM 1737 O SER B 66 15.450 7.929 -4.019 1.00 0.15 O ATOM 1738 CB SER B 66 15.361 9.555 -6.718 1.00 0.18 C ATOM 1739 OG SER B 66 14.695 10.433 -7.617 1.00 0.20 O ATOM 0 H SER B 66 13.765 10.450 -4.973 1.00 0.12 H new ATOM 0 HA SER B 66 13.735 8.127 -6.755 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.924 10.129 -5.981 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.080 8.939 -7.259 1.00 0.18 H new ATOM 0 HG SER B 66 15.354 11.003 -8.065 1.00 0.20 H new ATOM 1745 N TRP B 67 15.252 6.452 -5.641 1.00 0.15 N ATOM 1746 CA TRP B 67 15.964 5.405 -4.850 1.00 0.16 C ATOM 1747 C TRP B 67 17.471 5.671 -4.893 1.00 0.19 C ATOM 1748 O TRP B 67 18.232 5.099 -4.138 1.00 0.21 O ATOM 1749 CB TRP B 67 15.668 4.019 -5.436 1.00 0.16 C ATOM 1750 CG TRP B 67 14.241 3.672 -5.159 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.182 4.398 -5.563 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.701 2.538 -4.417 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.029 3.789 -5.118 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.298 2.643 -4.403 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.285 1.443 -3.762 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.502 1.699 -3.758 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.489 0.488 -3.115 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.098 0.619 -3.110 1.00 0.16 C ATOM 0 H TRP B 67 14.948 6.159 -6.570 1.00 0.15 H new ATOM 0 HA TRP B 67 15.618 5.437 -3.817 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.855 4.016 -6.510 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.330 3.274 -4.995 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.228 5.309 -6.141 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.090 4.144 -5.297 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.360 1.335 -3.756 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.427 1.804 -3.760 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.952 -0.352 -2.619 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.487 -0.115 -2.605 1.00 0.16 H new ATOM 1769 N ASN B 68 17.906 6.549 -5.758 1.00 0.23 N ATOM 1770 CA ASN B 68 19.363 6.854 -5.838 1.00 0.27 C ATOM 1771 C ASN B 68 19.841 7.273 -4.450 1.00 0.26 C ATOM 1772 O ASN B 68 21.022 7.384 -4.189 1.00 0.30 O ATOM 1773 CB ASN B 68 19.600 7.999 -6.829 1.00 0.34 C ATOM 1774 CG ASN B 68 19.312 7.516 -8.254 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.516 8.244 -9.206 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.841 6.312 -8.445 1.00 0.40 N ATOM 0 H ASN B 68 17.317 7.066 -6.410 1.00 0.23 H new ATOM 0 HA ASN B 68 19.911 5.975 -6.178 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.956 8.844 -6.584 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.629 8.350 -6.755 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.645 5.985 -9.391 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.669 5.699 -7.648 1.00 0.40 H new