USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 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 21 MET CE :methyl -161:sc= -0.0965 (180deg=-0.58) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 47:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= -1.54! C(o=-1.5!,f=-7.2!) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= -0.0209 (180deg=-0.122) USER MOD Single : A 33 LYS NZ :NH3+ -130:sc= -0.388 (180deg=-2.11!) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.14) USER MOD Single : A 41 MET CE :methyl -125:sc=-0.00943 (180deg=-0.292) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.16 (180deg=-0.764) USER MOD Single : A 46 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.227) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0.238 (180deg=0.1) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.322) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00998 (180deg=-0.118) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 0.641 (180deg=0.479) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0197 (180deg=-0.204) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= -0.0118 (180deg=-0.106) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0151 (180deg=-0.187) USER MOD Single : A 96 GLN : amide:sc= 0.608 K(o=0.61,f=-1.9!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 110 SER OG : rot 180:sc= -0.18 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -130:sc= -0.219 (180deg=-1.54!) USER MOD Single : A 122 SER OG : rot 112:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.651 -13.378 4.711 1.00 0.86 N ATOM 2 CA MET A 21 -7.530 -11.940 4.384 1.00 0.65 C ATOM 3 C MET A 21 -6.446 -11.728 3.335 1.00 0.55 C ATOM 4 O MET A 21 -5.362 -12.307 3.425 1.00 0.75 O ATOM 5 CB MET A 21 -7.215 -11.115 5.645 1.00 0.73 C ATOM 6 CG MET A 21 -5.827 -11.345 6.235 1.00 1.04 C ATOM 7 SD MET A 21 -5.575 -13.023 6.852 1.00 1.93 S ATOM 8 CE MET A 21 -6.802 -13.098 8.155 1.00 2.17 C ATOM 0 HA MET A 21 -8.485 -11.601 3.982 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.321 -10.057 5.405 1.00 0.73 H new ATOM 0 HB3 MET A 21 -7.960 -11.345 6.407 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.077 -11.130 5.474 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.666 -10.639 7.050 1.00 1.04 H new ATOM 0 HE1 MET A 21 -6.557 -13.911 8.839 1.00 2.17 H new ATOM 0 HE2 MET A 21 -6.811 -12.155 8.701 1.00 2.17 H new ATOM 0 HE3 MET A 21 -7.785 -13.274 7.719 1.00 2.17 H new ATOM 17 N THR A 22 -6.744 -10.921 2.328 1.00 0.43 N ATOM 18 CA THR A 22 -5.763 -10.613 1.300 1.00 0.41 C ATOM 19 C THR A 22 -4.942 -9.393 1.702 1.00 0.35 C ATOM 20 O THR A 22 -5.480 -8.425 2.247 1.00 0.38 O ATOM 21 CB THR A 22 -6.436 -10.354 -0.060 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.401 -11.374 -0.323 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.408 -10.341 -1.181 1.00 0.63 C ATOM 0 H THR A 22 -7.650 -10.471 2.201 1.00 0.43 H new ATOM 0 HA THR A 22 -5.107 -11.478 1.200 1.00 0.41 H new ATOM 0 HB THR A 22 -6.924 -9.380 -0.018 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.828 -11.205 -1.189 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.908 -10.156 -2.132 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.678 -9.553 -0.996 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.900 -11.305 -1.220 1.00 0.63 H new ATOM 31 N LEU A 23 -3.644 -9.451 1.449 1.00 0.32 N ATOM 32 CA LEU A 23 -2.752 -8.360 1.792 1.00 0.29 C ATOM 33 C LEU A 23 -2.285 -7.640 0.533 1.00 0.26 C ATOM 34 O LEU A 23 -1.553 -8.205 -0.287 1.00 0.30 O ATOM 35 CB LEU A 23 -1.547 -8.885 2.572 1.00 0.30 C ATOM 36 CG LEU A 23 -1.878 -9.641 3.861 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.603 -9.992 4.607 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.804 -8.821 4.745 1.00 0.39 C ATOM 0 H LEU A 23 -3.185 -10.247 1.005 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.296 -7.653 2.419 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.974 -9.545 1.921 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.901 -8.043 2.820 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.393 -10.565 3.595 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -0.853 -10.529 5.522 1.00 0.39 H new ATOM 0 HD12 LEU A 23 0.026 -10.621 3.977 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.065 -9.078 4.859 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.026 -9.378 5.655 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.320 -7.880 5.005 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.731 -8.617 4.210 1.00 0.39 H new ATOM 50 N PHE A 24 -2.727 -6.404 0.381 1.00 0.25 N ATOM 51 CA PHE A 24 -2.338 -5.584 -0.755 1.00 0.25 C ATOM 52 C PHE A 24 -1.344 -4.532 -0.304 1.00 0.26 C ATOM 53 O PHE A 24 -1.401 -4.067 0.833 1.00 0.30 O ATOM 54 CB PHE A 24 -3.550 -4.877 -1.365 1.00 0.28 C ATOM 55 CG PHE A 24 -4.692 -5.784 -1.719 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.654 -6.109 -0.777 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.813 -6.300 -2.999 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.711 -6.931 -1.103 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.866 -7.124 -3.329 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.817 -7.441 -2.381 1.00 0.51 C ATOM 0 H PHE A 24 -3.360 -5.943 1.034 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.892 -6.237 -1.505 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.906 -4.124 -0.662 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.231 -4.349 -2.264 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.575 -5.714 0.225 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -4.073 -6.053 -3.746 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.455 -7.176 -0.360 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.947 -7.522 -4.330 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.643 -8.087 -2.639 1.00 0.51 H new ATOM 70 N VAL A 25 -0.444 -4.148 -1.183 1.00 0.29 N ATOM 71 CA VAL A 25 0.472 -3.072 -0.876 1.00 0.31 C ATOM 72 C VAL A 25 0.628 -2.135 -2.062 1.00 0.30 C ATOM 73 O VAL A 25 0.792 -2.563 -3.208 1.00 0.35 O ATOM 74 CB VAL A 25 1.856 -3.576 -0.404 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.420 -4.614 -1.359 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.818 -2.401 -0.248 1.00 0.98 C ATOM 0 H VAL A 25 -0.327 -4.561 -2.108 1.00 0.29 H new ATOM 0 HA VAL A 25 0.031 -2.523 -0.044 1.00 0.31 H new ATOM 0 HB VAL A 25 1.732 -4.057 0.566 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.393 -4.948 -1.000 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.741 -5.465 -1.413 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.531 -4.174 -2.350 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.789 -2.768 0.085 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.931 -1.893 -1.206 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.422 -1.702 0.489 1.00 0.98 H new ATOM 86 N LEU A 26 0.536 -0.857 -1.769 1.00 0.34 N ATOM 87 CA LEU A 26 0.714 0.186 -2.751 1.00 0.35 C ATOM 88 C LEU A 26 1.925 1.017 -2.378 1.00 0.34 C ATOM 89 O LEU A 26 2.341 1.028 -1.221 1.00 0.36 O ATOM 90 CB LEU A 26 -0.512 1.099 -2.809 1.00 0.40 C ATOM 91 CG LEU A 26 -1.748 0.551 -3.536 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.339 -0.642 -2.813 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.796 1.638 -3.675 1.00 1.09 C ATOM 0 H LEU A 26 0.333 -0.510 -0.831 1.00 0.34 H new ATOM 0 HA LEU A 26 0.852 -0.279 -3.727 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.800 1.346 -1.787 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.219 2.031 -3.292 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.430 0.221 -4.525 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.212 -1.002 -3.358 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.595 -1.437 -2.754 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.636 -0.347 -1.806 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.668 1.238 -4.192 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.090 1.989 -2.686 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.384 2.469 -4.247 1.00 1.09 H new ATOM 105 N ILE A 27 2.484 1.708 -3.349 1.00 0.34 N ATOM 106 CA ILE A 27 3.600 2.599 -3.096 1.00 0.32 C ATOM 107 C ILE A 27 3.592 3.750 -4.094 1.00 0.30 C ATOM 108 O ILE A 27 3.802 3.545 -5.288 1.00 0.36 O ATOM 109 CB ILE A 27 4.955 1.847 -3.146 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.124 2.832 -3.011 1.00 0.33 C ATOM 111 CG2 ILE A 27 5.078 1.023 -4.425 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.484 2.169 -2.983 1.00 0.55 C ATOM 0 H ILE A 27 2.184 1.671 -4.323 1.00 0.34 H new ATOM 0 HA ILE A 27 3.484 3.001 -2.089 1.00 0.32 H new ATOM 0 HB ILE A 27 4.992 1.157 -2.303 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.091 3.536 -3.842 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.994 3.412 -2.097 1.00 0.33 H new ATOM 0 HG21 ILE A 27 6.038 0.506 -4.434 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.271 0.291 -4.465 1.00 0.35 H new ATOM 0 HG23 ILE A 27 5.013 1.683 -5.290 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.258 2.930 -2.886 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.538 1.486 -2.135 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.637 1.612 -3.908 1.00 0.55 H new ATOM 124 N LEU A 28 3.318 4.961 -3.620 1.00 0.30 N ATOM 125 CA LEU A 28 3.348 6.105 -4.507 1.00 0.36 C ATOM 126 C LEU A 28 4.678 6.824 -4.344 1.00 0.38 C ATOM 127 O LEU A 28 4.785 7.850 -3.664 1.00 0.41 O ATOM 128 CB LEU A 28 2.194 7.047 -4.166 1.00 0.46 C ATOM 129 CG LEU A 28 1.670 7.891 -5.323 1.00 0.62 C ATOM 130 CD1 LEU A 28 1.006 7.003 -6.357 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.692 8.934 -4.816 1.00 1.18 C ATOM 0 H LEU A 28 3.079 5.168 -2.650 1.00 0.30 H new ATOM 0 HA LEU A 28 3.240 5.777 -5.541 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.370 6.454 -3.769 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.518 7.716 -3.369 1.00 0.46 H new ATOM 0 HG LEU A 28 2.510 8.405 -5.790 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.635 7.616 -7.179 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.731 6.284 -6.739 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.174 6.470 -5.898 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.327 9.528 -5.654 1.00 1.18 H new ATOM 0 HD22 LEU A 28 -0.148 8.439 -4.329 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.193 9.585 -4.100 1.00 1.18 H new ATOM 143 N SER A 29 5.689 6.254 -4.963 1.00 0.44 N ATOM 144 CA SER A 29 7.007 6.846 -5.041 1.00 0.56 C ATOM 145 C SER A 29 7.661 6.378 -6.327 1.00 0.68 C ATOM 146 O SER A 29 7.438 5.238 -6.731 1.00 1.05 O ATOM 147 CB SER A 29 7.863 6.427 -3.841 1.00 0.61 C ATOM 148 OG SER A 29 9.064 7.177 -3.790 1.00 1.27 O ATOM 0 H SER A 29 5.617 5.352 -5.434 1.00 0.44 H new ATOM 0 HA SER A 29 6.921 7.932 -5.029 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.300 6.572 -2.919 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.096 5.364 -3.909 1.00 0.61 H new ATOM 0 HG SER A 29 8.861 8.128 -3.910 1.00 1.27 H new ATOM 154 N ASN A 30 8.455 7.204 -6.983 1.00 0.60 N ATOM 155 CA ASN A 30 9.290 6.655 -8.030 1.00 0.67 C ATOM 156 C ASN A 30 10.748 6.933 -7.735 1.00 0.64 C ATOM 157 O ASN A 30 11.322 7.925 -8.187 1.00 0.68 O ATOM 158 CB ASN A 30 8.910 7.234 -9.394 1.00 0.79 C ATOM 159 CG ASN A 30 7.494 6.883 -9.809 1.00 1.85 C ATOM 160 OD1 ASN A 30 6.549 7.610 -9.504 1.00 2.75 O ATOM 161 ND2 ASN A 30 7.335 5.770 -10.512 1.00 2.45 N ATOM 0 H ASN A 30 8.538 8.208 -6.821 1.00 0.60 H new ATOM 0 HA ASN A 30 9.132 5.577 -8.061 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.017 8.318 -9.366 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.606 6.865 -10.147 1.00 0.79 H new ATOM 0 HD21 ASN A 30 6.404 5.490 -10.820 1.00 2.45 H new ATOM 0 HD22 ASN A 30 8.144 5.194 -10.745 1.00 2.45 H new ATOM 168 N ASP A 31 11.333 6.039 -6.956 1.00 0.63 N ATOM 169 CA ASP A 31 12.770 5.928 -6.819 1.00 0.67 C ATOM 170 C ASP A 31 13.193 4.530 -7.240 1.00 0.72 C ATOM 171 O ASP A 31 12.620 3.543 -6.778 1.00 0.81 O ATOM 172 CB ASP A 31 13.212 6.229 -5.390 1.00 0.72 C ATOM 173 CG ASP A 31 14.701 6.046 -5.205 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.120 4.968 -4.745 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.466 6.976 -5.526 1.00 1.57 O ATOM 0 H ASP A 31 10.814 5.363 -6.395 1.00 0.63 H new ATOM 0 HA ASP A 31 13.253 6.663 -7.462 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.938 7.253 -5.134 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.678 5.575 -4.701 1.00 0.72 H new ATOM 180 N LYS A 32 14.190 4.442 -8.106 1.00 0.78 N ATOM 181 CA LYS A 32 14.630 3.157 -8.642 1.00 0.82 C ATOM 182 C LYS A 32 15.161 2.219 -7.558 1.00 0.79 C ATOM 183 O LYS A 32 15.045 1.003 -7.681 1.00 0.81 O ATOM 184 CB LYS A 32 15.682 3.368 -9.719 1.00 0.99 C ATOM 185 CG LYS A 32 15.127 4.049 -10.953 1.00 1.10 C ATOM 186 CD LYS A 32 15.989 3.771 -12.161 1.00 1.61 C ATOM 187 CE LYS A 32 15.368 4.323 -13.436 1.00 2.22 C ATOM 188 NZ LYS A 32 15.136 5.791 -13.363 1.00 2.93 N ATOM 0 H LYS A 32 14.713 5.245 -8.455 1.00 0.78 H new ATOM 0 HA LYS A 32 13.754 2.676 -9.078 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.496 3.968 -9.313 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.106 2.404 -10.001 1.00 0.99 H new ATOM 0 HG2 LYS A 32 14.111 3.700 -11.139 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.069 5.124 -10.784 1.00 1.10 H new ATOM 0 HD2 LYS A 32 16.974 4.214 -12.015 1.00 1.61 H new ATOM 0 HD3 LYS A 32 16.135 2.696 -12.264 1.00 1.61 H new ATOM 0 HE2 LYS A 32 16.021 4.102 -14.280 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.421 3.817 -13.625 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 14.824 6.140 -14.292 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 14.403 5.992 -12.654 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.019 6.269 -13.093 1.00 2.93 H new ATOM 202 N LYS A 33 15.721 2.782 -6.496 1.00 0.84 N ATOM 203 CA LYS A 33 16.308 1.979 -5.427 1.00 0.86 C ATOM 204 C LYS A 33 15.236 1.547 -4.426 1.00 0.74 C ATOM 205 O LYS A 33 15.157 0.375 -4.048 1.00 0.70 O ATOM 206 CB LYS A 33 17.414 2.775 -4.724 1.00 1.02 C ATOM 207 CG LYS A 33 18.095 2.028 -3.589 1.00 1.56 C ATOM 208 CD LYS A 33 19.318 2.771 -3.052 1.00 2.24 C ATOM 209 CE LYS A 33 18.960 4.094 -2.378 1.00 2.94 C ATOM 210 NZ LYS A 33 18.789 5.211 -3.349 1.00 3.44 N ATOM 0 H LYS A 33 15.782 3.790 -6.350 1.00 0.84 H new ATOM 0 HA LYS A 33 16.744 1.080 -5.863 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.166 3.058 -5.460 1.00 1.02 H new ATOM 0 HB3 LYS A 33 16.988 3.699 -4.332 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.382 1.875 -2.779 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.398 1.041 -3.938 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.839 2.134 -2.337 1.00 2.24 H new ATOM 0 HD3 LYS A 33 20.010 2.962 -3.872 1.00 2.24 H new ATOM 0 HE2 LYS A 33 18.038 3.969 -1.810 1.00 2.94 H new ATOM 0 HE3 LYS A 33 19.741 4.356 -1.665 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 19.349 6.030 -3.038 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 19.113 4.907 -4.289 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 17.785 5.477 -3.399 1.00 3.44 H new ATOM 224 N LEU A 34 14.416 2.507 -4.014 1.00 0.72 N ATOM 225 CA LEU A 34 13.316 2.268 -3.081 1.00 0.64 C ATOM 226 C LEU A 34 12.352 1.214 -3.613 1.00 0.58 C ATOM 227 O LEU A 34 12.018 0.260 -2.910 1.00 0.62 O ATOM 228 CB LEU A 34 12.570 3.582 -2.831 1.00 0.63 C ATOM 229 CG LEU A 34 11.174 3.470 -2.206 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.233 2.983 -0.774 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.466 4.808 -2.268 1.00 1.46 C ATOM 0 H LEU A 34 14.494 3.478 -4.318 1.00 0.72 H new ATOM 0 HA LEU A 34 13.733 1.894 -2.146 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.185 4.205 -2.182 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.477 4.107 -3.782 1.00 0.63 H new ATOM 0 HG LEU A 34 10.615 2.734 -2.783 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.223 2.918 -0.370 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.700 1.999 -0.743 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.819 3.681 -0.176 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.476 4.717 -1.822 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.044 5.551 -1.719 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.368 5.120 -3.308 1.00 1.46 H new ATOM 243 N ILE A 35 11.917 1.386 -4.860 1.00 0.54 N ATOM 244 CA ILE A 35 10.939 0.488 -5.459 1.00 0.52 C ATOM 245 C ILE A 35 11.452 -0.949 -5.492 1.00 0.55 C ATOM 246 O ILE A 35 10.697 -1.884 -5.226 1.00 0.58 O ATOM 247 CB ILE A 35 10.543 0.944 -6.882 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.754 2.255 -6.811 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.724 -0.129 -7.593 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.344 2.796 -8.163 1.00 0.69 C ATOM 0 H ILE A 35 12.228 2.140 -5.473 1.00 0.54 H new ATOM 0 HA ILE A 35 10.049 0.524 -4.830 1.00 0.52 H new ATOM 0 HB ILE A 35 11.455 1.107 -7.456 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.860 2.098 -6.207 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.358 3.004 -6.298 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.459 0.218 -8.592 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.312 -1.044 -7.671 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.815 -0.329 -7.025 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.790 3.725 -8.030 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.233 2.987 -8.764 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.713 2.067 -8.671 1.00 0.69 H new ATOM 262 N GLU A 36 12.736 -1.123 -5.796 1.00 0.59 N ATOM 263 CA GLU A 36 13.333 -2.454 -5.799 1.00 0.66 C ATOM 264 C GLU A 36 13.195 -3.117 -4.435 1.00 0.62 C ATOM 265 O GLU A 36 12.616 -4.193 -4.324 1.00 0.62 O ATOM 266 CB GLU A 36 14.807 -2.400 -6.198 1.00 0.79 C ATOM 267 CG GLU A 36 15.033 -2.060 -7.658 1.00 0.76 C ATOM 268 CD GLU A 36 14.277 -2.981 -8.590 1.00 1.34 C ATOM 269 OE1 GLU A 36 13.301 -2.523 -9.220 1.00 2.15 O ATOM 270 OE2 GLU A 36 14.645 -4.173 -8.687 1.00 1.87 O ATOM 0 H GLU A 36 13.376 -0.368 -6.041 1.00 0.59 H new ATOM 0 HA GLU A 36 12.794 -3.048 -6.537 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.314 -1.660 -5.579 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.268 -3.364 -5.984 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.724 -1.031 -7.840 1.00 0.76 H new ATOM 0 HG3 GLU A 36 16.098 -2.118 -7.881 1.00 0.76 H new ATOM 277 N GLU A 37 13.707 -2.460 -3.397 1.00 0.62 N ATOM 278 CA GLU A 37 13.697 -3.032 -2.052 1.00 0.65 C ATOM 279 C GLU A 37 12.273 -3.262 -1.564 1.00 0.56 C ATOM 280 O GLU A 37 11.976 -4.286 -0.947 1.00 0.57 O ATOM 281 CB GLU A 37 14.444 -2.128 -1.069 1.00 0.73 C ATOM 282 CG GLU A 37 15.900 -1.899 -1.438 1.00 0.85 C ATOM 283 CD GLU A 37 16.638 -3.190 -1.731 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.979 -3.427 -2.909 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.875 -3.978 -0.792 1.00 1.84 O ATOM 0 H GLU A 37 14.132 -1.535 -3.460 1.00 0.62 H new ATOM 0 HA GLU A 37 14.207 -3.994 -2.101 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.936 -1.165 -1.016 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.395 -2.570 -0.074 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.951 -1.249 -2.312 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.400 -1.376 -0.622 1.00 0.85 H new ATOM 292 N ALA A 38 11.395 -2.309 -1.854 1.00 0.51 N ATOM 293 CA ALA A 38 9.999 -2.418 -1.463 1.00 0.46 C ATOM 294 C ALA A 38 9.333 -3.592 -2.168 1.00 0.42 C ATOM 295 O ALA A 38 8.601 -4.364 -1.545 1.00 0.43 O ATOM 296 CB ALA A 38 9.257 -1.125 -1.768 1.00 0.50 C ATOM 0 H ALA A 38 11.627 -1.453 -2.358 1.00 0.51 H new ATOM 0 HA ALA A 38 9.958 -2.595 -0.388 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.214 -1.225 -1.469 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.715 -0.304 -1.217 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.310 -0.919 -2.837 1.00 0.50 H new ATOM 302 N ARG A 39 9.600 -3.738 -3.463 1.00 0.43 N ATOM 303 CA ARG A 39 9.019 -4.834 -4.216 1.00 0.45 C ATOM 304 C ARG A 39 9.573 -6.161 -3.750 1.00 0.45 C ATOM 305 O ARG A 39 8.808 -7.068 -3.488 1.00 0.49 O ATOM 306 CB ARG A 39 9.220 -4.694 -5.724 1.00 0.53 C ATOM 307 CG ARG A 39 8.727 -5.921 -6.486 1.00 0.60 C ATOM 308 CD ARG A 39 8.368 -5.596 -7.924 1.00 0.77 C ATOM 309 NE ARG A 39 7.664 -6.708 -8.559 1.00 1.46 N ATOM 310 CZ ARG A 39 6.488 -6.591 -9.177 1.00 1.90 C ATOM 311 NH1 ARG A 39 5.912 -5.402 -9.310 1.00 1.82 N ATOM 312 NH2 ARG A 39 5.893 -7.666 -9.677 1.00 2.96 N ATOM 0 H ARG A 39 10.206 -3.119 -4.002 1.00 0.43 H new ATOM 0 HA ARG A 39 7.946 -4.797 -4.025 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.690 -3.810 -6.079 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.278 -4.538 -5.935 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.499 -6.690 -6.471 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.855 -6.335 -5.980 1.00 0.60 H new ATOM 0 HD2 ARG A 39 7.743 -4.703 -7.952 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.274 -5.369 -8.485 1.00 0.77 H new ATOM 0 HE ARG A 39 8.099 -7.630 -8.528 1.00 1.46 H new ATOM 0 HH11 ARG A 39 6.369 -4.569 -8.938 1.00 1.82 H new ATOM 0 HH12 ARG A 39 5.012 -5.321 -9.784 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.335 -8.581 -9.589 1.00 2.96 H new ATOM 0 HH22 ARG A 39 4.994 -7.578 -10.150 1.00 2.96 H new ATOM 326 N LYS A 40 10.892 -6.268 -3.635 1.00 0.49 N ATOM 327 CA LYS A 40 11.525 -7.515 -3.203 1.00 0.55 C ATOM 328 C LYS A 40 10.856 -8.059 -1.945 1.00 0.49 C ATOM 329 O LYS A 40 10.489 -9.234 -1.875 1.00 0.54 O ATOM 330 CB LYS A 40 13.013 -7.292 -2.927 1.00 0.70 C ATOM 331 CG LYS A 40 13.822 -6.902 -4.152 1.00 0.85 C ATOM 332 CD LYS A 40 15.237 -6.512 -3.769 1.00 1.27 C ATOM 333 CE LYS A 40 16.034 -6.041 -4.971 1.00 1.34 C ATOM 334 NZ LYS A 40 17.346 -5.474 -4.568 1.00 1.88 N ATOM 0 H LYS A 40 11.545 -5.510 -3.834 1.00 0.49 H new ATOM 0 HA LYS A 40 11.410 -8.241 -4.008 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.118 -6.512 -2.173 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.433 -8.204 -2.503 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.848 -7.735 -4.855 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.337 -6.070 -4.662 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.206 -5.721 -3.020 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.738 -7.365 -3.311 1.00 1.27 H new ATOM 0 HE2 LYS A 40 16.192 -6.876 -5.654 1.00 1.34 H new ATOM 0 HE3 LYS A 40 15.463 -5.288 -5.515 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.980 -5.445 -5.392 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.210 -4.510 -4.202 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 17.768 -6.069 -3.827 1.00 1.88 H new ATOM 348 N MET A 41 10.667 -7.181 -0.975 1.00 0.45 N ATOM 349 CA MET A 41 10.124 -7.550 0.317 1.00 0.46 C ATOM 350 C MET A 41 8.701 -8.104 0.203 1.00 0.41 C ATOM 351 O MET A 41 8.368 -9.105 0.838 1.00 0.46 O ATOM 352 CB MET A 41 10.141 -6.314 1.206 1.00 0.57 C ATOM 353 CG MET A 41 9.913 -6.600 2.668 1.00 0.89 C ATOM 354 SD MET A 41 11.227 -7.601 3.391 1.00 1.10 S ATOM 355 CE MET A 41 10.641 -7.755 5.075 1.00 1.68 C ATOM 0 H MET A 41 10.887 -6.189 -1.064 1.00 0.45 H new ATOM 0 HA MET A 41 10.736 -8.343 0.747 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.101 -5.811 1.091 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.375 -5.621 0.859 1.00 0.57 H new ATOM 0 HG2 MET A 41 9.838 -5.658 3.211 1.00 0.89 H new ATOM 0 HG3 MET A 41 8.960 -7.115 2.790 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.414 -7.410 5.762 1.00 1.68 H new ATOM 0 HE2 MET A 41 9.743 -7.150 5.205 1.00 1.68 H new ATOM 0 HE3 MET A 41 10.409 -8.799 5.285 1.00 1.68 H new ATOM 365 N ALA A 42 7.874 -7.460 -0.613 1.00 0.37 N ATOM 366 CA ALA A 42 6.478 -7.863 -0.769 1.00 0.39 C ATOM 367 C ALA A 42 6.327 -8.964 -1.816 1.00 0.42 C ATOM 368 O ALA A 42 5.426 -9.799 -1.727 1.00 0.49 O ATOM 369 CB ALA A 42 5.632 -6.661 -1.151 1.00 0.43 C ATOM 0 H ALA A 42 8.145 -6.655 -1.178 1.00 0.37 H new ATOM 0 HA ALA A 42 6.134 -8.261 0.186 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.593 -6.969 -1.266 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.702 -5.904 -0.370 1.00 0.43 H new ATOM 0 HB3 ALA A 42 5.993 -6.246 -2.092 1.00 0.43 H new ATOM 375 N GLU A 43 7.220 -8.960 -2.794 1.00 0.45 N ATOM 376 CA GLU A 43 7.187 -9.917 -3.892 1.00 0.59 C ATOM 377 C GLU A 43 7.370 -11.330 -3.356 1.00 0.63 C ATOM 378 O GLU A 43 6.643 -12.250 -3.731 1.00 0.75 O ATOM 379 CB GLU A 43 8.282 -9.591 -4.916 1.00 0.71 C ATOM 380 CG GLU A 43 8.228 -10.436 -6.179 1.00 0.87 C ATOM 381 CD GLU A 43 9.192 -9.949 -7.242 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.775 -9.144 -8.106 1.00 2.36 O ATOM 383 OE2 GLU A 43 10.369 -10.363 -7.226 1.00 2.41 O ATOM 0 H GLU A 43 7.989 -8.293 -2.850 1.00 0.45 H new ATOM 0 HA GLU A 43 6.218 -9.850 -4.388 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.203 -8.540 -5.192 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.256 -9.725 -4.445 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.459 -11.472 -5.930 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.214 -10.423 -6.579 1.00 0.87 H new ATOM 390 N LYS A 44 8.332 -11.487 -2.454 1.00 0.60 N ATOM 391 CA LYS A 44 8.597 -12.782 -1.840 1.00 0.70 C ATOM 392 C LYS A 44 7.660 -13.042 -0.669 1.00 0.66 C ATOM 393 O LYS A 44 7.579 -14.161 -0.167 1.00 0.75 O ATOM 394 CB LYS A 44 10.054 -12.894 -1.384 1.00 0.81 C ATOM 395 CG LYS A 44 11.007 -13.296 -2.501 1.00 1.39 C ATOM 396 CD LYS A 44 11.392 -12.122 -3.383 1.00 2.35 C ATOM 397 CE LYS A 44 12.474 -11.276 -2.733 1.00 3.19 C ATOM 398 NZ LYS A 44 13.720 -12.050 -2.505 1.00 3.63 N ATOM 0 H LYS A 44 8.941 -10.734 -2.132 1.00 0.60 H new ATOM 0 HA LYS A 44 8.415 -13.541 -2.601 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.373 -11.937 -0.971 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.120 -13.626 -0.579 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.907 -13.732 -2.068 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.541 -14.069 -3.112 1.00 1.39 H new ATOM 0 HD2 LYS A 44 11.744 -12.489 -4.347 1.00 2.35 H new ATOM 0 HD3 LYS A 44 10.514 -11.507 -3.577 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.692 -10.416 -3.366 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.109 -10.888 -1.782 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 14.529 -11.398 -2.454 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 13.643 -12.576 -1.611 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.862 -12.718 -3.289 1.00 3.63 H new ATOM 412 N ALA A 45 6.944 -12.010 -0.244 1.00 0.57 N ATOM 413 CA ALA A 45 5.983 -12.147 0.842 1.00 0.59 C ATOM 414 C ALA A 45 4.613 -12.532 0.298 1.00 0.59 C ATOM 415 O ALA A 45 3.647 -12.658 1.049 1.00 0.66 O ATOM 416 CB ALA A 45 5.894 -10.863 1.650 1.00 0.56 C ATOM 0 H ALA A 45 7.010 -11.070 -0.634 1.00 0.57 H new ATOM 0 HA ALA A 45 6.328 -12.942 1.503 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.170 -10.989 2.455 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.871 -10.631 2.073 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.577 -10.046 1.002 1.00 0.56 H new ATOM 422 N ASN A 46 4.554 -12.711 -1.023 1.00 0.56 N ATOM 423 CA ASN A 46 3.328 -13.093 -1.725 1.00 0.60 C ATOM 424 C ASN A 46 2.232 -12.053 -1.505 1.00 0.54 C ATOM 425 O ASN A 46 1.061 -12.383 -1.313 1.00 0.63 O ATOM 426 CB ASN A 46 2.855 -14.489 -1.287 1.00 0.76 C ATOM 427 CG ASN A 46 1.747 -15.035 -2.172 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.668 -14.715 -3.357 1.00 2.03 O ATOM 429 ND2 ASN A 46 0.884 -15.866 -1.606 1.00 2.18 N ATOM 0 H ASN A 46 5.359 -12.594 -1.638 1.00 0.56 H new ATOM 0 HA ASN A 46 3.548 -13.133 -2.792 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.700 -15.177 -1.304 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.502 -14.442 -0.257 1.00 0.76 H new ATOM 0 HD21 ASN A 46 0.122 -16.263 -2.156 1.00 2.18 H new ATOM 0 HD22 ASN A 46 0.981 -16.109 -0.620 1.00 2.18 H new ATOM 436 N LEU A 47 2.621 -10.789 -1.528 1.00 0.44 N ATOM 437 CA LEU A 47 1.663 -9.705 -1.393 1.00 0.42 C ATOM 438 C LEU A 47 1.269 -9.200 -2.764 1.00 0.41 C ATOM 439 O LEU A 47 2.015 -9.359 -3.731 1.00 0.58 O ATOM 440 CB LEU A 47 2.242 -8.537 -0.597 1.00 0.43 C ATOM 441 CG LEU A 47 2.856 -8.871 0.759 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.149 -7.591 1.516 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.944 -9.768 1.574 1.00 0.59 C ATOM 0 H LEU A 47 3.590 -10.489 -1.638 1.00 0.44 H new ATOM 0 HA LEU A 47 0.796 -10.097 -0.861 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.006 -8.055 -1.207 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.449 -7.805 -0.441 1.00 0.43 H new ATOM 0 HG LEU A 47 3.786 -9.413 0.589 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.587 -7.833 2.484 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.848 -6.981 0.943 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.223 -7.037 1.666 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.412 -9.987 2.534 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.992 -9.264 1.741 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.772 -10.699 1.034 1.00 0.59 H new ATOM 455 N ILE A 48 0.107 -8.583 -2.850 1.00 0.30 N ATOM 456 CA ILE A 48 -0.322 -7.990 -4.097 1.00 0.32 C ATOM 457 C ILE A 48 0.149 -6.545 -4.161 1.00 0.32 C ATOM 458 O ILE A 48 -0.504 -5.634 -3.646 1.00 0.33 O ATOM 459 CB ILE A 48 -1.853 -8.071 -4.280 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.307 -9.534 -4.191 1.00 0.40 C ATOM 461 CG2 ILE A 48 -2.265 -7.462 -5.616 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.794 -9.731 -4.381 1.00 0.53 C ATOM 0 H ILE A 48 -0.551 -8.481 -2.077 1.00 0.30 H new ATOM 0 HA ILE A 48 0.126 -8.557 -4.913 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.336 -7.502 -3.486 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.775 -10.115 -4.945 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -2.020 -9.934 -3.219 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -3.347 -7.528 -5.728 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.960 -6.416 -5.649 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.783 -8.006 -6.428 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -4.033 -10.792 -4.304 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.335 -9.180 -3.612 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -4.087 -9.364 -5.365 1.00 0.53 H new ATOM 474 N LEU A 49 1.317 -6.358 -4.757 1.00 0.34 N ATOM 475 CA LEU A 49 1.921 -5.043 -4.878 1.00 0.35 C ATOM 476 C LEU A 49 1.506 -4.378 -6.177 1.00 0.35 C ATOM 477 O LEU A 49 1.611 -4.972 -7.254 1.00 0.44 O ATOM 478 CB LEU A 49 3.448 -5.151 -4.821 1.00 0.44 C ATOM 479 CG LEU A 49 4.209 -3.854 -5.118 1.00 0.58 C ATOM 480 CD1 LEU A 49 3.945 -2.804 -4.049 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.696 -4.131 -5.231 1.00 1.14 C ATOM 0 H LEU A 49 1.869 -7.111 -5.168 1.00 0.34 H new ATOM 0 HA LEU A 49 1.573 -4.433 -4.044 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.734 -5.501 -3.829 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.769 -5.912 -5.533 1.00 0.44 H new ATOM 0 HG LEU A 49 3.850 -3.462 -6.069 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.498 -1.895 -4.287 1.00 0.90 H new ATOM 0 HD12 LEU A 49 2.879 -2.581 -4.014 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.269 -3.182 -3.079 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.224 -3.201 -5.442 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.060 -4.550 -4.293 1.00 1.14 H new ATOM 0 HD23 LEU A 49 5.874 -4.841 -6.039 1.00 1.14 H new ATOM 493 N ILE A 50 1.027 -3.153 -6.069 1.00 0.33 N ATOM 494 CA ILE A 50 0.685 -2.367 -7.237 1.00 0.34 C ATOM 495 C ILE A 50 1.492 -1.074 -7.226 1.00 0.32 C ATOM 496 O ILE A 50 1.152 -0.120 -6.525 1.00 0.36 O ATOM 497 CB ILE A 50 -0.822 -2.039 -7.280 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.652 -3.295 -6.984 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.190 -1.470 -8.644 1.00 0.46 C ATOM 500 CD1 ILE A 50 -3.125 -3.018 -6.778 1.00 0.94 C ATOM 0 H ILE A 50 0.866 -2.680 -5.180 1.00 0.33 H new ATOM 0 HA ILE A 50 0.924 -2.953 -8.125 1.00 0.34 H new ATOM 0 HB ILE A 50 -1.042 -1.294 -6.515 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.536 -3.999 -7.808 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.255 -3.780 -6.092 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.255 -1.241 -8.667 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.619 -0.559 -8.824 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.960 -2.202 -9.418 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.646 -3.953 -6.574 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.253 -2.339 -5.935 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.539 -2.561 -7.677 1.00 0.94 H new ATOM 512 N THR A 51 2.575 -1.059 -7.986 1.00 0.32 N ATOM 513 CA THR A 51 3.460 0.091 -8.033 1.00 0.35 C ATOM 514 C THR A 51 2.889 1.166 -8.953 1.00 0.38 C ATOM 515 O THR A 51 2.665 0.924 -10.142 1.00 0.55 O ATOM 516 CB THR A 51 4.861 -0.321 -8.520 1.00 0.47 C ATOM 517 OG1 THR A 51 5.307 -1.476 -7.793 1.00 1.17 O ATOM 518 CG2 THR A 51 5.857 0.814 -8.337 1.00 0.89 C ATOM 0 H THR A 51 2.863 -1.836 -8.582 1.00 0.32 H new ATOM 0 HA THR A 51 3.544 0.495 -7.024 1.00 0.35 H new ATOM 0 HB THR A 51 4.799 -0.557 -9.582 1.00 0.47 H new ATOM 0 HG1 THR A 51 6.198 -1.736 -8.107 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.839 0.497 -8.689 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.529 1.682 -8.910 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.918 1.078 -7.281 1.00 0.89 H new ATOM 526 N VAL A 52 2.636 2.341 -8.397 1.00 0.39 N ATOM 527 CA VAL A 52 2.054 3.437 -9.153 1.00 0.49 C ATOM 528 C VAL A 52 2.781 4.739 -8.851 1.00 0.58 C ATOM 529 O VAL A 52 3.157 4.997 -7.710 1.00 0.80 O ATOM 530 CB VAL A 52 0.551 3.604 -8.833 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.280 2.547 -9.546 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.311 3.534 -7.331 1.00 1.04 C ATOM 0 H VAL A 52 2.826 2.560 -7.419 1.00 0.39 H new ATOM 0 HA VAL A 52 2.161 3.198 -10.211 1.00 0.49 H new ATOM 0 HB VAL A 52 0.240 4.585 -9.192 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.333 2.688 -9.303 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.140 2.640 -10.623 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.037 1.556 -9.223 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.753 3.654 -7.127 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.647 2.568 -6.954 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.867 4.330 -6.836 1.00 1.04 H new ATOM 542 N GLY A 53 2.995 5.554 -9.872 1.00 0.66 N ATOM 543 CA GLY A 53 3.633 6.830 -9.649 1.00 0.75 C ATOM 544 C GLY A 53 2.865 7.973 -10.268 1.00 0.81 C ATOM 545 O GLY A 53 3.059 8.289 -11.444 1.00 1.24 O ATOM 0 H GLY A 53 2.741 5.357 -10.840 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.733 7.001 -8.577 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.641 6.807 -10.063 1.00 0.75 H new ATOM 549 N ASP A 54 2.034 8.602 -9.435 1.00 0.71 N ATOM 550 CA ASP A 54 1.189 9.750 -9.791 1.00 0.82 C ATOM 551 C ASP A 54 -0.034 9.749 -8.880 1.00 0.70 C ATOM 552 O ASP A 54 -0.512 8.674 -8.516 1.00 0.64 O ATOM 553 CB ASP A 54 0.711 9.718 -11.249 1.00 1.08 C ATOM 554 CG ASP A 54 0.056 11.018 -11.672 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.180 11.141 -11.541 1.00 1.75 O ATOM 556 OD2 ASP A 54 0.776 11.927 -12.140 1.00 1.98 O ATOM 0 H ASP A 54 1.925 8.319 -8.461 1.00 0.71 H new ATOM 0 HA ASP A 54 1.792 10.649 -9.667 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.559 9.513 -11.902 1.00 1.08 H new ATOM 0 HB3 ASP A 54 0.003 8.899 -11.378 1.00 1.08 H new ATOM 561 N GLU A 55 -0.539 10.919 -8.508 1.00 0.80 N ATOM 562 CA GLU A 55 -1.671 11.010 -7.584 1.00 0.79 C ATOM 563 C GLU A 55 -2.850 10.162 -8.058 1.00 0.69 C ATOM 564 O GLU A 55 -3.396 9.346 -7.301 1.00 0.71 O ATOM 565 CB GLU A 55 -2.106 12.467 -7.444 1.00 0.95 C ATOM 566 CG GLU A 55 -2.069 12.979 -6.015 1.00 0.90 C ATOM 567 CD GLU A 55 -3.106 12.325 -5.125 1.00 1.53 C ATOM 568 OE1 GLU A 55 -4.285 12.737 -5.172 1.00 2.16 O ATOM 569 OE2 GLU A 55 -2.745 11.404 -4.363 1.00 2.21 O ATOM 0 H GLU A 55 -0.185 11.820 -8.830 1.00 0.80 H new ATOM 0 HA GLU A 55 -1.348 10.626 -6.616 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -1.460 13.091 -8.061 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.119 12.574 -7.833 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.077 12.804 -5.598 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -2.228 14.057 -6.017 1.00 0.90 H new ATOM 576 N GLU A 56 -3.210 10.329 -9.321 1.00 0.70 N ATOM 577 CA GLU A 56 -4.373 9.663 -9.881 1.00 0.70 C ATOM 578 C GLU A 56 -4.145 8.158 -9.963 1.00 0.66 C ATOM 579 O GLU A 56 -5.068 7.369 -9.785 1.00 0.67 O ATOM 580 CB GLU A 56 -4.672 10.219 -11.270 1.00 0.82 C ATOM 581 CG GLU A 56 -4.680 11.737 -11.325 1.00 0.93 C ATOM 582 CD GLU A 56 -5.746 12.354 -10.449 1.00 1.33 C ATOM 583 OE1 GLU A 56 -5.423 12.805 -9.331 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.917 12.406 -10.881 1.00 1.89 O ATOM 0 H GLU A 56 -2.709 10.924 -9.980 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.225 9.849 -9.227 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.928 9.842 -11.972 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.641 9.846 -11.601 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -3.703 12.111 -11.018 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -4.834 12.057 -12.356 1.00 0.93 H new ATOM 591 N GLU A 57 -2.900 7.775 -10.216 1.00 0.65 N ATOM 592 CA GLU A 57 -2.530 6.371 -10.335 1.00 0.65 C ATOM 593 C GLU A 57 -2.730 5.621 -9.022 1.00 0.55 C ATOM 594 O GLU A 57 -3.037 4.428 -9.030 1.00 0.52 O ATOM 595 CB GLU A 57 -1.087 6.241 -10.810 1.00 0.73 C ATOM 596 CG GLU A 57 -0.911 6.566 -12.280 1.00 1.11 C ATOM 597 CD GLU A 57 -1.556 5.529 -13.177 1.00 1.52 C ATOM 598 OE1 GLU A 57 -2.695 5.759 -13.645 1.00 2.13 O ATOM 599 OE2 GLU A 57 -0.931 4.473 -13.420 1.00 2.16 O ATOM 0 H GLU A 57 -2.123 8.424 -10.344 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.189 5.917 -11.075 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.456 6.905 -10.220 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.741 5.224 -10.625 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.344 7.544 -12.488 1.00 1.11 H new ATOM 0 HG3 GLU A 57 0.152 6.633 -12.511 1.00 1.11 H new ATOM 606 N LEU A 58 -2.573 6.311 -7.895 1.00 0.52 N ATOM 607 CA LEU A 58 -2.830 5.685 -6.604 1.00 0.48 C ATOM 608 C LEU A 58 -4.296 5.302 -6.510 1.00 0.46 C ATOM 609 O LEU A 58 -4.635 4.231 -6.015 1.00 0.44 O ATOM 610 CB LEU A 58 -2.458 6.605 -5.436 1.00 0.52 C ATOM 611 CG LEU A 58 -2.529 5.941 -4.053 1.00 0.55 C ATOM 612 CD1 LEU A 58 -1.485 4.840 -3.929 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.346 6.969 -2.947 1.00 0.74 C ATOM 0 H LEU A 58 -2.275 7.285 -7.850 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.204 4.795 -6.533 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.447 6.980 -5.593 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.123 7.469 -5.445 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.518 5.494 -3.946 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -1.553 4.383 -2.942 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -1.663 4.082 -4.692 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -0.490 5.265 -4.064 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.400 6.474 -1.977 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.374 7.450 -3.055 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.132 7.721 -3.015 1.00 0.74 H new ATOM 625 N LYS A 59 -5.159 6.172 -7.031 1.00 0.52 N ATOM 626 CA LYS A 59 -6.597 5.926 -7.038 1.00 0.57 C ATOM 627 C LYS A 59 -6.920 4.663 -7.819 1.00 0.51 C ATOM 628 O LYS A 59 -7.875 3.948 -7.517 1.00 0.58 O ATOM 629 CB LYS A 59 -7.339 7.121 -7.643 1.00 0.69 C ATOM 630 CG LYS A 59 -7.075 8.433 -6.918 1.00 0.76 C ATOM 631 CD LYS A 59 -7.710 9.616 -7.636 1.00 0.97 C ATOM 632 CE LYS A 59 -9.231 9.552 -7.609 1.00 1.64 C ATOM 633 NZ LYS A 59 -9.769 9.629 -6.226 1.00 2.26 N ATOM 0 H LYS A 59 -4.884 7.058 -7.456 1.00 0.52 H new ATOM 0 HA LYS A 59 -6.926 5.792 -6.008 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.047 7.228 -8.688 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.410 6.918 -7.630 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.467 8.372 -5.903 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.000 8.593 -6.836 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.378 10.544 -7.169 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -7.367 9.639 -8.670 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -9.638 10.371 -8.202 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -9.563 8.624 -8.076 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -10.791 9.820 -6.261 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -9.602 8.726 -5.738 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.291 10.395 -5.710 1.00 2.26 H new ATOM 647 N LYS A 60 -6.091 4.392 -8.803 1.00 0.49 N ATOM 648 CA LYS A 60 -6.268 3.254 -9.683 1.00 0.48 C ATOM 649 C LYS A 60 -5.844 1.973 -8.986 1.00 0.41 C ATOM 650 O LYS A 60 -6.543 0.962 -9.043 1.00 0.41 O ATOM 651 CB LYS A 60 -5.437 3.486 -10.931 1.00 0.58 C ATOM 652 CG LYS A 60 -5.639 4.881 -11.486 1.00 0.72 C ATOM 653 CD LYS A 60 -6.803 4.936 -12.457 1.00 1.19 C ATOM 654 CE LYS A 60 -6.472 4.214 -13.754 1.00 1.91 C ATOM 655 NZ LYS A 60 -5.345 4.862 -14.483 1.00 2.35 N ATOM 0 H LYS A 60 -5.270 4.957 -9.018 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.319 3.149 -9.953 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.383 3.335 -10.700 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -5.705 2.750 -11.689 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -5.816 5.577 -10.666 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -4.729 5.207 -11.990 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.683 4.483 -12.000 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.054 5.975 -12.670 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -6.214 3.178 -13.536 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.354 4.195 -14.394 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -5.284 4.471 -15.445 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -5.510 5.888 -14.536 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -4.454 4.680 -13.978 1.00 2.35 H new ATOM 669 N ALA A 61 -4.699 2.030 -8.318 1.00 0.40 N ATOM 670 CA ALA A 61 -4.200 0.897 -7.557 1.00 0.39 C ATOM 671 C ALA A 61 -5.138 0.587 -6.399 1.00 0.32 C ATOM 672 O ALA A 61 -5.426 -0.574 -6.107 1.00 0.34 O ATOM 673 CB ALA A 61 -2.798 1.190 -7.049 1.00 0.47 C ATOM 0 H ALA A 61 -4.098 2.853 -8.289 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.158 0.023 -8.207 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.431 0.336 -6.480 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.135 1.374 -7.895 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -2.820 2.071 -6.408 1.00 0.47 H new ATOM 679 N ILE A 62 -5.618 1.645 -5.757 1.00 0.31 N ATOM 680 CA ILE A 62 -6.584 1.527 -4.672 1.00 0.37 C ATOM 681 C ILE A 62 -7.847 0.804 -5.145 1.00 0.36 C ATOM 682 O ILE A 62 -8.319 -0.129 -4.497 1.00 0.38 O ATOM 683 CB ILE A 62 -6.949 2.923 -4.109 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.773 3.501 -3.320 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.190 2.859 -3.230 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.982 4.930 -2.873 1.00 0.53 C ATOM 0 H ILE A 62 -5.350 2.605 -5.973 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.125 0.940 -3.877 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.168 3.577 -4.953 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.595 2.878 -2.443 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.875 3.450 -3.935 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.419 3.855 -2.851 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.032 2.491 -3.816 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.009 2.185 -2.393 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.106 5.270 -2.320 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.130 5.566 -3.746 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.861 4.985 -2.231 1.00 0.53 H new ATOM 698 N LYS A 63 -8.375 1.222 -6.288 1.00 0.37 N ATOM 699 CA LYS A 63 -9.589 0.622 -6.828 1.00 0.40 C ATOM 700 C LYS A 63 -9.320 -0.789 -7.348 1.00 0.35 C ATOM 701 O LYS A 63 -10.189 -1.660 -7.278 1.00 0.40 O ATOM 702 CB LYS A 63 -10.175 1.514 -7.929 1.00 0.49 C ATOM 703 CG LYS A 63 -11.433 0.962 -8.591 1.00 0.59 C ATOM 704 CD LYS A 63 -12.502 0.567 -7.577 1.00 1.21 C ATOM 705 CE LYS A 63 -12.926 1.731 -6.694 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.988 1.329 -5.732 1.00 2.76 N ATOM 0 H LYS A 63 -7.984 1.972 -6.858 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.321 0.541 -6.024 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.403 2.491 -7.504 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.415 1.669 -8.695 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.840 1.711 -9.270 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.171 0.093 -9.194 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.373 0.179 -8.105 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.123 -0.241 -6.951 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.062 2.107 -6.147 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.289 2.548 -7.317 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -13.950 1.946 -4.896 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.919 1.418 -6.186 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.837 0.342 -5.441 1.00 2.76 H new ATOM 720 N LYS A 64 -8.115 -1.017 -7.857 1.00 0.34 N ATOM 721 CA LYS A 64 -7.723 -2.346 -8.304 1.00 0.39 C ATOM 722 C LYS A 64 -7.695 -3.306 -7.121 1.00 0.35 C ATOM 723 O LYS A 64 -8.197 -4.425 -7.204 1.00 0.40 O ATOM 724 CB LYS A 64 -6.357 -2.308 -8.989 1.00 0.51 C ATOM 725 CG LYS A 64 -5.922 -3.653 -9.555 1.00 1.05 C ATOM 726 CD LYS A 64 -4.572 -3.567 -10.251 1.00 1.04 C ATOM 727 CE LYS A 64 -4.604 -2.603 -11.428 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.557 -3.040 -12.483 1.00 2.11 N ATOM 0 H LYS A 64 -7.396 -0.302 -7.970 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.457 -2.697 -9.029 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.384 -1.575 -9.796 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.610 -1.966 -8.273 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.869 -4.386 -8.750 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.672 -4.009 -10.261 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -3.815 -3.244 -9.537 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.279 -4.557 -10.600 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -4.884 -1.610 -11.076 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.605 -2.519 -11.855 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -5.426 -2.455 -13.333 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -5.381 -4.038 -12.718 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -6.532 -2.933 -12.136 1.00 2.11 H new ATOM 742 N ALA A 65 -7.114 -2.853 -6.014 1.00 0.30 N ATOM 743 CA ALA A 65 -7.096 -3.634 -4.786 1.00 0.30 C ATOM 744 C ALA A 65 -8.517 -3.864 -4.287 1.00 0.33 C ATOM 745 O ALA A 65 -8.870 -4.965 -3.867 1.00 0.38 O ATOM 746 CB ALA A 65 -6.263 -2.932 -3.725 1.00 0.31 C ATOM 0 H ALA A 65 -6.649 -1.948 -5.944 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.642 -4.603 -4.994 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.259 -3.528 -2.812 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.241 -2.812 -4.085 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.691 -1.952 -3.516 1.00 0.31 H new ATOM 752 N ASP A 66 -9.325 -2.808 -4.357 1.00 0.35 N ATOM 753 CA ASP A 66 -10.741 -2.866 -3.994 1.00 0.41 C ATOM 754 C ASP A 66 -11.459 -3.966 -4.774 1.00 0.40 C ATOM 755 O ASP A 66 -12.278 -4.702 -4.224 1.00 0.47 O ATOM 756 CB ASP A 66 -11.391 -1.505 -4.275 1.00 0.48 C ATOM 757 CG ASP A 66 -12.871 -1.449 -3.940 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.216 -1.440 -2.744 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.697 -1.365 -4.877 1.00 1.36 O ATOM 0 H ASP A 66 -9.017 -1.887 -4.667 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.825 -3.099 -2.932 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.869 -0.739 -3.701 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.258 -1.260 -5.329 1.00 0.48 H new ATOM 764 N ASP A 67 -11.125 -4.081 -6.055 1.00 0.36 N ATOM 765 CA ASP A 67 -11.742 -5.074 -6.929 1.00 0.38 C ATOM 766 C ASP A 67 -11.252 -6.482 -6.607 1.00 0.40 C ATOM 767 O ASP A 67 -12.057 -7.397 -6.426 1.00 0.48 O ATOM 768 CB ASP A 67 -11.455 -4.743 -8.396 1.00 0.42 C ATOM 769 CG ASP A 67 -12.012 -5.783 -9.348 1.00 0.95 C ATOM 770 OD1 ASP A 67 -13.250 -5.919 -9.431 1.00 1.66 O ATOM 771 OD2 ASP A 67 -11.214 -6.456 -10.034 1.00 1.68 O ATOM 0 H ASP A 67 -10.427 -3.496 -6.514 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.818 -5.043 -6.758 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.884 -3.770 -8.636 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.378 -4.662 -8.542 1.00 0.42 H new ATOM 776 N ILE A 68 -9.934 -6.649 -6.520 1.00 0.37 N ATOM 777 CA ILE A 68 -9.341 -7.959 -6.264 1.00 0.41 C ATOM 778 C ILE A 68 -9.793 -8.510 -4.913 1.00 0.41 C ATOM 779 O ILE A 68 -10.062 -9.706 -4.777 1.00 0.47 O ATOM 780 CB ILE A 68 -7.795 -7.901 -6.302 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.311 -7.387 -7.660 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.199 -9.272 -6.013 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.814 -7.168 -7.728 1.00 0.51 C ATOM 0 H ILE A 68 -9.257 -5.893 -6.623 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.685 -8.623 -7.057 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.460 -7.209 -5.529 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.601 -8.099 -8.433 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.817 -6.448 -7.885 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.111 -9.210 -6.044 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.515 -9.605 -5.024 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.544 -9.984 -6.763 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.544 -6.804 -8.719 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.519 -6.433 -6.979 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.299 -8.109 -7.535 1.00 0.51 H new ATOM 795 N ALA A 69 -9.885 -7.630 -3.923 1.00 0.39 N ATOM 796 CA ALA A 69 -10.315 -8.021 -2.588 1.00 0.43 C ATOM 797 C ALA A 69 -11.711 -8.620 -2.624 1.00 0.47 C ATOM 798 O ALA A 69 -11.911 -9.767 -2.233 1.00 0.53 O ATOM 799 CB ALA A 69 -10.281 -6.830 -1.646 1.00 0.46 C ATOM 0 H ALA A 69 -9.667 -6.638 -4.021 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.623 -8.779 -2.219 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.606 -7.142 -0.653 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.265 -6.440 -1.590 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.948 -6.053 -2.018 1.00 0.46 H new ATOM 805 N LYS A 70 -12.666 -7.848 -3.119 1.00 0.52 N ATOM 806 CA LYS A 70 -14.060 -8.279 -3.167 1.00 0.65 C ATOM 807 C LYS A 70 -14.236 -9.475 -4.069 1.00 0.63 C ATOM 808 O LYS A 70 -15.118 -10.306 -3.841 1.00 0.72 O ATOM 809 CB LYS A 70 -14.934 -7.150 -3.678 1.00 0.87 C ATOM 810 CG LYS A 70 -14.890 -5.899 -2.822 1.00 1.09 C ATOM 811 CD LYS A 70 -15.575 -4.737 -3.516 1.00 1.14 C ATOM 812 CE LYS A 70 -15.560 -3.492 -2.655 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.052 -2.303 -3.393 1.00 1.50 N ATOM 0 H LYS A 70 -12.503 -6.914 -3.496 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.354 -8.556 -2.155 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.625 -6.895 -4.692 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.964 -7.501 -3.738 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.375 -6.092 -1.865 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.854 -5.638 -2.607 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.076 -4.532 -4.463 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.605 -5.007 -3.750 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.179 -3.653 -1.773 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.545 -3.306 -2.303 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -16.299 -1.553 -2.717 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.308 -1.960 -4.034 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.894 -2.562 -3.946 1.00 1.50 H new ATOM 827 N LYS A 71 -13.416 -9.544 -5.103 1.00 0.62 N ATOM 828 CA LYS A 71 -13.436 -10.669 -6.014 1.00 0.76 C ATOM 829 C LYS A 71 -13.384 -11.978 -5.237 1.00 0.83 C ATOM 830 O LYS A 71 -14.138 -12.909 -5.522 1.00 1.03 O ATOM 831 CB LYS A 71 -12.262 -10.577 -6.993 1.00 0.84 C ATOM 832 CG LYS A 71 -12.106 -11.799 -7.881 1.00 1.26 C ATOM 833 CD LYS A 71 -10.990 -11.623 -8.896 1.00 1.71 C ATOM 834 CE LYS A 71 -10.699 -12.923 -9.631 1.00 2.27 C ATOM 835 NZ LYS A 71 -11.930 -13.539 -10.193 1.00 2.71 N ATOM 0 H LYS A 71 -12.725 -8.829 -5.331 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.365 -10.644 -6.584 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.394 -9.697 -7.622 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.341 -10.430 -6.429 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -11.900 -12.673 -7.263 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.044 -11.991 -8.402 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.267 -10.851 -9.614 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.088 -11.279 -8.391 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -9.990 -12.732 -10.437 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -10.223 -13.626 -8.948 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -11.668 -14.290 -10.863 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -12.498 -13.945 -9.422 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.487 -12.813 -10.688 1.00 2.71 H new ATOM 917 N ALA A 77 -10.024 -7.328 4.030 1.00 0.55 N ATOM 918 CA ALA A 77 -8.976 -6.909 3.121 1.00 0.44 C ATOM 919 C ALA A 77 -8.059 -5.916 3.809 1.00 0.37 C ATOM 920 O ALA A 77 -8.517 -4.920 4.373 1.00 0.42 O ATOM 921 CB ALA A 77 -9.575 -6.307 1.862 1.00 0.71 C ATOM 0 HA ALA A 77 -8.389 -7.781 2.833 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.774 -5.998 1.190 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.199 -7.050 1.365 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.182 -5.441 2.126 1.00 0.71 H new ATOM 927 N LYS A 78 -6.767 -6.187 3.782 1.00 0.35 N ATOM 928 CA LYS A 78 -5.807 -5.316 4.433 1.00 0.37 C ATOM 929 C LYS A 78 -4.835 -4.761 3.407 1.00 0.33 C ATOM 930 O LYS A 78 -4.172 -5.511 2.692 1.00 0.37 O ATOM 931 CB LYS A 78 -5.070 -6.067 5.544 1.00 0.50 C ATOM 932 CG LYS A 78 -6.013 -6.792 6.496 1.00 0.63 C ATOM 933 CD LYS A 78 -5.290 -7.371 7.701 1.00 0.89 C ATOM 934 CE LYS A 78 -4.793 -6.278 8.635 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.359 -6.825 9.946 1.00 1.67 N ATOM 0 H LYS A 78 -6.360 -6.999 3.319 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.336 -4.481 4.892 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.388 -6.789 5.096 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.461 -5.362 6.110 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.783 -6.100 6.836 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.519 -7.595 5.960 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -5.961 -8.036 8.244 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.447 -7.974 7.365 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -3.961 -5.752 8.168 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.585 -5.546 8.791 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -4.027 -6.049 10.553 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -5.160 -7.305 10.404 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -3.585 -7.505 9.800 1.00 1.67 H new ATOM 949 N ILE A 79 -4.778 -3.443 3.321 1.00 0.29 N ATOM 950 CA ILE A 79 -3.940 -2.780 2.339 1.00 0.29 C ATOM 951 C ILE A 79 -2.903 -1.903 3.032 1.00 0.29 C ATOM 952 O ILE A 79 -3.193 -1.267 4.046 1.00 0.40 O ATOM 953 CB ILE A 79 -4.784 -1.907 1.376 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.929 -2.723 0.767 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.907 -1.320 0.276 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.821 -1.921 -0.158 1.00 0.49 C ATOM 0 H ILE A 79 -5.305 -2.810 3.922 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.438 -3.555 1.760 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.214 -1.087 1.950 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.511 -3.565 0.215 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.535 -3.139 1.572 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.518 -0.710 -0.390 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.129 -0.701 0.723 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.447 -2.128 -0.292 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.609 -2.564 -0.551 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.269 -1.095 0.394 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.228 -1.527 -0.983 1.00 0.49 H new ATOM 968 N LEU A 80 -1.696 -1.902 2.503 1.00 0.23 N ATOM 969 CA LEU A 80 -0.651 -1.010 2.975 1.00 0.28 C ATOM 970 C LEU A 80 -0.326 -0.005 1.874 1.00 0.30 C ATOM 971 O LEU A 80 0.145 -0.386 0.810 1.00 0.45 O ATOM 972 CB LEU A 80 0.602 -1.821 3.333 1.00 0.40 C ATOM 973 CG LEU A 80 1.497 -1.235 4.434 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.764 -2.061 4.576 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.844 0.217 4.155 1.00 1.40 C ATOM 0 H LEU A 80 -1.411 -2.514 1.739 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.990 -0.481 3.865 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.288 -2.818 3.641 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.202 -1.940 2.431 1.00 0.40 H new ATOM 0 HG LEU A 80 0.941 -1.270 5.371 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.390 -1.635 5.360 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.502 -3.086 4.838 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.310 -2.055 3.633 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.478 0.600 4.954 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.374 0.288 3.205 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.929 0.807 4.105 1.00 1.40 H new ATOM 987 N ILE A 81 -0.590 1.271 2.115 1.00 0.27 N ATOM 988 CA ILE A 81 -0.285 2.296 1.124 1.00 0.27 C ATOM 989 C ILE A 81 0.961 3.077 1.517 1.00 0.27 C ATOM 990 O ILE A 81 0.938 3.884 2.445 1.00 0.33 O ATOM 991 CB ILE A 81 -1.467 3.274 0.904 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.606 2.575 0.160 1.00 0.28 C ATOM 993 CG2 ILE A 81 -1.015 4.507 0.128 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.847 3.427 0.005 1.00 0.38 C ATOM 0 H ILE A 81 -1.010 1.620 2.977 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.104 1.775 0.184 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.827 3.594 1.882 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.254 2.279 -0.828 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.868 1.661 0.692 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.862 5.178 -0.014 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.233 5.022 0.686 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.626 4.203 -0.844 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.610 2.864 -0.532 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.225 3.702 0.990 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.601 4.330 -0.554 1.00 0.38 H new ATOM 1006 N LEU A 82 2.052 2.803 0.825 1.00 0.27 N ATOM 1007 CA LEU A 82 3.274 3.570 0.988 1.00 0.31 C ATOM 1008 C LEU A 82 3.244 4.757 0.039 1.00 0.34 C ATOM 1009 O LEU A 82 2.724 4.651 -1.068 1.00 0.59 O ATOM 1010 CB LEU A 82 4.500 2.700 0.688 1.00 0.43 C ATOM 1011 CG LEU A 82 4.605 1.404 1.496 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.822 0.609 1.070 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.670 1.703 2.981 1.00 1.08 C ATOM 0 H LEU A 82 2.117 2.050 0.140 1.00 0.27 H new ATOM 0 HA LEU A 82 3.342 3.918 2.019 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.493 2.447 -0.372 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.397 3.293 0.868 1.00 0.43 H new ATOM 0 HG LEU A 82 3.713 0.809 1.301 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.880 -0.309 1.655 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.742 0.360 0.012 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.721 1.203 1.236 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.744 0.769 3.537 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.544 2.320 3.190 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.769 2.235 3.285 1.00 1.08 H new ATOM 1025 N LEU A 83 3.771 5.887 0.474 1.00 0.35 N ATOM 1026 CA LEU A 83 3.844 7.078 -0.364 1.00 0.42 C ATOM 1027 C LEU A 83 4.760 8.110 0.264 1.00 0.44 C ATOM 1028 O LEU A 83 5.144 7.975 1.420 1.00 0.55 O ATOM 1029 CB LEU A 83 2.442 7.684 -0.582 1.00 0.45 C ATOM 1030 CG LEU A 83 1.468 7.612 0.608 1.00 0.49 C ATOM 1031 CD1 LEU A 83 1.973 8.423 1.786 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.088 8.093 0.189 1.00 1.13 C ATOM 0 H LEU A 83 4.159 6.009 1.410 1.00 0.35 H new ATOM 0 HA LEU A 83 4.249 6.785 -1.332 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.563 8.731 -0.861 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.981 7.179 -1.431 1.00 0.45 H new ATOM 0 HG LEU A 83 1.401 6.571 0.923 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.262 8.351 2.609 1.00 1.17 H new ATOM 0 HD12 LEU A 83 2.940 8.035 2.107 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.081 9.467 1.490 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.591 8.037 1.040 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.152 9.125 -0.157 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.288 7.463 -0.617 1.00 1.13 H new ATOM 1044 N GLU A 84 5.137 9.123 -0.496 1.00 0.43 N ATOM 1045 CA GLU A 84 5.817 10.263 0.088 1.00 0.45 C ATOM 1046 C GLU A 84 4.819 11.397 0.212 1.00 0.47 C ATOM 1047 O GLU A 84 4.503 12.064 -0.778 1.00 0.54 O ATOM 1048 CB GLU A 84 6.982 10.698 -0.797 1.00 0.55 C ATOM 1049 CG GLU A 84 7.951 9.581 -1.131 1.00 1.29 C ATOM 1050 CD GLU A 84 8.958 9.988 -2.181 1.00 1.47 C ATOM 1051 OE1 GLU A 84 8.697 9.751 -3.380 1.00 1.94 O ATOM 1052 OE2 GLU A 84 10.015 10.544 -1.821 1.00 2.04 O ATOM 0 H GLU A 84 4.987 9.179 -1.503 1.00 0.43 H new ATOM 0 HA GLU A 84 6.213 9.994 1.067 1.00 0.45 H new ATOM 0 HB2 GLU A 84 6.586 11.111 -1.725 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.526 11.500 -0.297 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.477 9.277 -0.226 1.00 1.29 H new ATOM 0 HG3 GLU A 84 7.394 8.713 -1.483 1.00 1.29 H new ATOM 1059 N LYS A 85 4.324 11.608 1.419 1.00 0.45 N ATOM 1060 CA LYS A 85 3.336 12.644 1.666 1.00 0.56 C ATOM 1061 C LYS A 85 3.048 12.748 3.156 1.00 0.53 C ATOM 1062 O LYS A 85 2.845 11.728 3.816 1.00 0.53 O ATOM 1063 CB LYS A 85 2.046 12.315 0.906 1.00 0.74 C ATOM 1064 CG LYS A 85 1.041 13.452 0.845 1.00 1.00 C ATOM 1065 CD LYS A 85 -0.130 13.088 -0.050 1.00 0.91 C ATOM 1066 CE LYS A 85 -1.057 14.267 -0.285 1.00 1.66 C ATOM 1067 NZ LYS A 85 -2.097 13.958 -1.301 1.00 2.02 N ATOM 0 H LYS A 85 4.591 11.074 2.246 1.00 0.45 H new ATOM 0 HA LYS A 85 3.726 13.600 1.317 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.304 12.021 -0.111 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.572 11.454 1.377 1.00 0.74 H new ATOM 0 HG2 LYS A 85 0.681 13.679 1.848 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.526 14.353 0.469 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.245 12.726 -1.007 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.691 12.271 0.403 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -1.537 14.545 0.653 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -0.474 15.128 -0.612 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -2.710 14.788 -1.434 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.640 13.718 -2.204 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -2.670 13.152 -0.978 1.00 2.02 H new ATOM 1081 N PRO A 86 3.047 13.963 3.721 1.00 0.60 N ATOM 1082 CA PRO A 86 2.542 14.176 5.073 1.00 0.62 C ATOM 1083 C PRO A 86 1.050 13.867 5.123 1.00 0.61 C ATOM 1084 O PRO A 86 0.252 14.520 4.444 1.00 0.68 O ATOM 1085 CB PRO A 86 2.796 15.667 5.335 1.00 0.74 C ATOM 1086 CG PRO A 86 3.792 16.084 4.305 1.00 0.85 C ATOM 1087 CD PRO A 86 3.553 15.202 3.114 1.00 0.74 C ATOM 0 HA PRO A 86 3.021 13.537 5.815 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.875 16.244 5.248 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.180 15.829 6.342 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.666 17.135 4.044 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.810 15.968 4.678 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.830 15.639 2.426 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.469 15.030 2.548 1.00 0.74 H new ATOM 1095 N VAL A 87 0.674 12.876 5.914 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.703 12.401 5.926 1.00 0.62 C ATOM 1097 C VAL A 87 -1.337 12.513 7.305 1.00 0.62 C ATOM 1098 O VAL A 87 -0.775 12.062 8.304 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.804 10.939 5.430 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.566 10.865 3.928 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.183 10.043 6.166 1.00 0.88 C ATOM 0 H VAL A 87 1.298 12.385 6.554 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.252 13.047 5.242 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.812 10.582 5.642 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.641 9.829 3.598 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.314 11.465 3.411 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.428 11.248 3.698 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.091 9.021 5.798 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.198 10.401 5.993 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.032 10.065 7.234 1.00 0.88 H new ATOM 1111 N SER A 88 -2.501 13.138 7.355 1.00 0.69 N ATOM 1112 CA SER A 88 -3.272 13.219 8.582 1.00 0.76 C ATOM 1113 C SER A 88 -4.252 12.045 8.649 1.00 0.72 C ATOM 1114 O SER A 88 -4.582 11.472 7.610 1.00 0.69 O ATOM 1115 CB SER A 88 -4.021 14.555 8.640 1.00 0.92 C ATOM 1116 OG SER A 88 -3.153 15.639 8.350 1.00 1.44 O ATOM 0 H SER A 88 -2.934 13.599 6.555 1.00 0.69 H new ATOM 0 HA SER A 88 -2.601 13.164 9.439 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.846 14.545 7.927 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.457 14.689 9.630 1.00 0.92 H new ATOM 0 HG SER A 88 -3.655 16.480 8.392 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.712 11.655 9.854 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.590 10.486 10.041 1.00 0.79 C ATOM 1124 C PRO A 89 -6.743 10.412 9.035 1.00 0.67 C ATOM 1125 O PRO A 89 -7.052 9.341 8.506 1.00 0.65 O ATOM 1126 CB PRO A 89 -6.130 10.689 11.456 1.00 0.98 C ATOM 1127 CG PRO A 89 -5.046 11.419 12.165 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.405 12.314 11.139 1.00 0.92 C ATOM 0 HA PRO A 89 -5.047 9.553 9.890 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -7.057 11.263 11.449 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.349 9.736 11.938 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.447 12.002 12.995 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.319 10.724 12.585 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.814 13.324 11.178 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.330 12.399 11.298 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.357 11.557 8.753 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.497 11.616 7.842 1.00 0.72 C ATOM 1138 C GLU A 90 -8.116 11.179 6.435 1.00 0.64 C ATOM 1139 O GLU A 90 -8.924 10.582 5.732 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.082 13.023 7.799 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.837 13.410 9.058 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.235 14.866 9.060 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -9.370 15.717 9.355 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.413 15.165 8.768 1.00 2.37 O ATOM 0 H GLU A 90 -7.084 12.459 9.143 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.248 10.925 8.224 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.275 13.737 7.636 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.754 13.101 6.945 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.730 12.791 9.149 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.216 13.204 9.930 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.882 11.456 6.030 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.432 11.122 4.683 1.00 0.62 C ATOM 1153 C TYR A 91 -6.316 9.616 4.513 1.00 0.52 C ATOM 1154 O TYR A 91 -6.526 9.087 3.421 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.103 11.809 4.362 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.241 13.300 4.166 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -5.310 14.157 5.253 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.316 13.848 2.892 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -5.450 15.518 5.081 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -5.453 15.211 2.711 1.00 3.00 C ATOM 1161 CZ TYR A 91 -5.520 16.042 3.809 1.00 2.89 C ATOM 1162 OH TYR A 91 -5.666 17.400 3.636 1.00 3.78 O ATOM 0 H TYR A 91 -6.177 11.909 6.612 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.178 11.489 3.978 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.397 11.618 5.171 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.681 11.367 3.459 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -5.253 13.752 6.252 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -5.267 13.199 2.030 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -5.505 16.170 5.940 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.507 15.623 1.714 1.00 3.00 H new ATOM 0 HH TYR A 91 -5.698 17.606 2.678 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.003 8.929 5.601 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.991 7.480 5.603 1.00 0.42 C ATOM 1174 C GLU A 92 -7.413 6.963 5.449 1.00 0.42 C ATOM 1175 O GLU A 92 -7.662 5.998 4.730 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.369 6.960 6.898 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.443 5.453 7.052 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.609 4.950 8.207 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.422 4.623 7.992 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.131 4.886 9.340 1.00 1.14 O ATOM 0 H GLU A 92 -5.754 9.355 6.494 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.390 7.121 4.768 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.324 7.269 6.938 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.872 7.427 7.745 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.481 5.156 7.201 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.105 4.979 6.130 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.343 7.647 6.100 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.742 7.272 6.062 1.00 0.54 C ATOM 1189 C LYS A 93 -10.354 7.613 4.708 1.00 0.53 C ATOM 1190 O LYS A 93 -11.311 6.976 4.281 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.508 7.964 7.191 1.00 0.69 C ATOM 1192 CG LYS A 93 -10.071 7.521 8.579 1.00 1.51 C ATOM 1193 CD LYS A 93 -10.901 8.188 9.663 1.00 2.25 C ATOM 1194 CE LYS A 93 -10.531 7.677 11.048 1.00 2.80 C ATOM 1195 NZ LYS A 93 -9.111 7.962 11.392 1.00 3.25 N ATOM 0 H LYS A 93 -8.147 8.473 6.666 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.815 6.194 6.205 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.374 9.042 7.103 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.573 7.764 7.073 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -10.164 6.438 8.663 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -9.018 7.763 8.725 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -10.754 9.267 9.622 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -11.959 8.003 9.477 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -11.182 8.139 11.790 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -10.706 6.602 11.095 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -8.940 7.720 12.389 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -8.486 7.393 10.786 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -8.913 8.972 11.242 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.798 8.619 4.036 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.217 8.952 2.678 1.00 0.59 C ATOM 1211 C LYS A 94 -9.933 7.780 1.749 1.00 0.52 C ATOM 1212 O LYS A 94 -10.812 7.315 1.028 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.488 10.198 2.163 1.00 0.67 C ATOM 1214 CG LYS A 94 -9.786 11.463 2.952 1.00 1.19 C ATOM 1215 CD LYS A 94 -8.947 12.638 2.466 1.00 1.48 C ATOM 1216 CE LYS A 94 -9.416 13.157 1.115 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.751 13.807 1.199 1.00 2.44 N ATOM 0 H LYS A 94 -9.059 9.215 4.409 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.287 9.161 2.696 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.414 10.013 2.186 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.761 10.360 1.120 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -10.844 11.708 2.861 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.589 11.288 4.010 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -8.993 13.443 3.199 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -7.903 12.332 2.394 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -8.689 13.872 0.729 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -9.459 12.331 0.405 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.922 14.363 0.337 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -11.487 13.078 1.292 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -10.780 14.436 2.027 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.699 7.292 1.794 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.284 6.179 0.950 1.00 0.45 C ATOM 1233 C LEU A 95 -8.964 4.890 1.400 1.00 0.39 C ATOM 1234 O LEU A 95 -9.336 4.049 0.579 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.760 6.026 0.989 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.968 7.300 0.667 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.474 7.023 0.696 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.374 7.865 -0.685 1.00 1.12 C ATOM 0 H LEU A 95 -7.967 7.651 2.407 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.585 6.386 -0.077 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.471 5.678 1.981 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.470 5.249 0.282 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.199 8.042 1.431 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -3.930 7.939 0.465 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.188 6.671 1.687 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.231 6.260 -0.044 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.798 8.768 -0.890 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.178 7.126 -1.462 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.437 8.107 -0.674 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.137 4.757 2.711 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.840 3.620 3.299 1.00 0.40 C ATOM 1252 C GLN A 96 -11.317 3.650 2.895 1.00 0.45 C ATOM 1253 O GLN A 96 -11.989 2.625 2.878 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.670 3.666 4.830 1.00 0.53 C ATOM 1255 CG GLN A 96 -10.146 2.430 5.589 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.643 2.432 5.837 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -12.256 3.490 5.996 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.243 1.256 5.866 1.00 2.20 N ATOM 0 H GLN A 96 -8.795 5.432 3.395 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.419 2.685 2.930 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.615 3.823 5.055 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.210 4.533 5.211 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.877 1.537 5.025 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.624 2.373 6.544 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.700 0.403 5.730 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.249 1.201 6.024 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.813 4.837 2.573 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.189 4.998 2.112 1.00 0.64 C ATOM 1269 C LYS A 97 -13.326 4.641 0.628 1.00 0.65 C ATOM 1270 O LYS A 97 -14.391 4.203 0.182 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.661 6.436 2.354 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.091 6.712 1.911 1.00 1.44 C ATOM 1273 CD LYS A 97 -16.106 5.896 2.698 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.121 6.285 4.169 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.185 5.572 4.921 1.00 2.87 N ATOM 0 H LYS A 97 -11.282 5.707 2.622 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.817 4.313 2.682 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.573 6.660 3.417 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -12.993 7.118 1.828 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.308 7.773 2.032 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.190 6.486 0.849 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -17.099 6.042 2.273 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.872 4.836 2.604 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -15.151 6.062 4.613 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.272 7.361 4.258 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -17.161 5.865 5.919 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -18.113 5.805 4.514 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.027 4.546 4.858 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.255 4.830 -0.136 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.288 4.559 -1.573 1.00 0.68 C ATOM 1291 C TYR A 98 -12.284 3.059 -1.842 1.00 0.64 C ATOM 1292 O TYR A 98 -13.064 2.558 -2.657 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.100 5.217 -2.284 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.047 6.724 -2.144 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.210 7.486 -2.121 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -9.830 7.388 -2.040 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.161 8.862 -1.995 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -9.775 8.762 -1.915 1.00 2.50 C ATOM 1299 CZ TYR A 98 -10.942 9.493 -1.893 1.00 2.73 C ATOM 1300 OH TYR A 98 -10.891 10.863 -1.765 1.00 3.64 O ATOM 0 H TYR A 98 -11.357 5.168 0.211 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.210 4.985 -1.967 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.176 4.794 -1.889 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -11.140 4.963 -3.343 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -13.168 6.994 -2.203 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -8.912 6.819 -2.057 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.074 9.438 -1.977 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -8.821 9.261 -1.835 1.00 2.50 H new ATOM 0 HH TYR A 98 -9.956 11.151 -1.704 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.403 2.348 -1.159 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.334 0.902 -1.281 1.00 0.56 C ATOM 1312 C ALA A 99 -11.888 0.251 -0.032 1.00 0.52 C ATOM 1313 O ALA A 99 -11.553 0.654 1.080 1.00 0.60 O ATOM 1314 CB ALA A 99 -9.902 0.447 -1.511 1.00 0.59 C ATOM 0 H ALA A 99 -10.724 2.750 -0.513 1.00 0.56 H new ATOM 0 HA ALA A 99 -11.933 0.601 -2.140 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -9.875 -0.639 -1.599 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.521 0.895 -2.429 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.282 0.758 -0.670 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.732 -0.751 -0.203 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.289 -1.435 0.946 1.00 0.53 C ATOM 1322 C ASP A 100 -12.235 -2.358 1.516 1.00 0.47 C ATOM 1323 O ASP A 100 -11.975 -3.443 0.992 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.542 -2.221 0.556 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.091 -3.050 1.700 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.495 -2.468 2.729 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.140 -4.290 1.569 1.00 1.73 O ATOM 0 H ASP A 100 -13.041 -1.103 -1.109 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.583 -0.704 1.699 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.310 -1.527 0.214 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.309 -2.876 -0.283 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.634 -1.894 2.590 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.553 -2.585 3.255 1.00 0.39 C ATOM 1334 C ALA A 101 -10.187 -1.819 4.497 1.00 0.37 C ATOM 1335 O ALA A 101 -10.810 -0.807 4.814 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.349 -2.698 2.330 1.00 0.43 C ATOM 0 H ALA A 101 -11.888 -1.011 3.032 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.869 -3.593 3.522 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.543 -3.221 2.845 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.629 -3.254 1.435 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.012 -1.701 2.047 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.181 -2.287 5.189 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.600 -1.518 6.257 1.00 0.31 C ATOM 1344 C GLU A 102 -7.158 -1.166 5.897 1.00 0.29 C ATOM 1345 O GLU A 102 -6.217 -1.913 6.180 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.685 -2.273 7.578 1.00 0.41 C ATOM 1347 CG GLU A 102 -8.064 -3.661 7.551 1.00 0.76 C ATOM 1348 CD GLU A 102 -7.747 -4.177 8.936 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -6.721 -3.749 9.505 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -8.509 -5.014 9.457 1.00 1.77 O ATOM 0 H GLU A 102 -8.747 -3.197 5.032 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.161 -0.592 6.386 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -8.193 -1.683 8.351 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -9.733 -2.363 7.864 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -8.746 -4.352 7.056 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -7.150 -3.636 6.958 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.992 -0.034 5.237 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.683 0.368 4.763 1.00 0.32 C ATOM 1359 C VAL A 103 -4.926 1.121 5.847 1.00 0.32 C ATOM 1360 O VAL A 103 -5.518 1.824 6.666 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.767 1.234 3.478 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.300 2.626 3.764 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.410 1.333 2.806 1.00 1.05 C ATOM 0 H VAL A 103 -7.744 0.619 5.019 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.142 -0.545 4.514 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.467 0.737 2.806 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.342 3.197 2.837 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.301 2.552 4.190 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.641 3.130 4.471 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.493 1.945 1.908 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.697 1.790 3.492 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.064 0.335 2.535 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.627 0.915 5.872 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.742 1.706 6.698 1.00 0.37 C ATOM 1375 C ARG A 104 -1.814 2.491 5.789 1.00 0.33 C ATOM 1376 O ARG A 104 -1.042 1.906 5.026 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.932 0.834 7.671 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.321 -0.411 7.042 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.245 -1.611 7.172 1.00 1.26 C ATOM 1380 NE ARG A 104 -2.357 -2.054 8.561 1.00 1.50 N ATOM 1381 CZ ARG A 104 -3.457 -2.575 9.103 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -4.572 -2.680 8.390 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -3.439 -2.985 10.365 1.00 2.71 N ATOM 0 H ARG A 104 -3.156 0.197 5.322 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.339 2.384 7.308 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.133 1.438 8.102 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -2.580 0.530 8.493 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -1.113 -0.223 5.989 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -0.367 -0.631 7.521 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -3.233 -1.354 6.790 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -1.869 -2.429 6.557 1.00 1.26 H new ATOM 0 HE ARG A 104 -1.535 -1.957 9.157 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -4.590 -2.361 7.421 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -5.411 -3.080 8.811 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -2.585 -2.901 10.916 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -4.279 -3.384 10.784 1.00 2.71 H new ATOM 1397 N VAL A 105 -1.919 3.804 5.828 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.094 4.631 4.973 1.00 0.31 C ATOM 1399 C VAL A 105 0.236 4.924 5.666 1.00 0.31 C ATOM 1400 O VAL A 105 0.268 5.233 6.859 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.794 5.951 4.573 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.112 5.662 3.874 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.010 6.856 5.778 1.00 0.71 C ATOM 0 H VAL A 105 -2.559 4.316 6.435 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.916 4.076 4.052 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.140 6.479 3.879 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.592 6.601 3.599 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.926 5.073 2.976 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.765 5.104 4.545 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.504 7.774 5.460 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.634 6.344 6.511 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.047 7.099 6.228 1.00 0.71 H new ATOM 1413 N ARG A 106 1.330 4.790 4.938 1.00 0.31 N ATOM 1414 CA ARG A 106 2.653 5.006 5.505 1.00 0.35 C ATOM 1415 C ARG A 106 3.479 5.898 4.592 1.00 0.29 C ATOM 1416 O ARG A 106 3.463 5.730 3.372 1.00 0.31 O ATOM 1417 CB ARG A 106 3.388 3.678 5.694 1.00 0.46 C ATOM 1418 CG ARG A 106 2.652 2.653 6.542 1.00 0.79 C ATOM 1419 CD ARG A 106 2.424 3.133 7.965 1.00 0.87 C ATOM 1420 NE ARG A 106 1.938 2.048 8.814 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.141 2.212 9.867 1.00 1.70 C ATOM 1422 NH1 ARG A 106 0.694 3.422 10.190 1.00 1.88 N ATOM 1423 NH2 ARG A 106 0.781 1.158 10.588 1.00 2.63 N ATOM 0 H ARG A 106 1.330 4.532 3.951 1.00 0.31 H new ATOM 0 HA ARG A 106 2.524 5.487 6.475 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.582 3.244 4.713 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.357 3.878 6.151 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.691 2.426 6.080 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.223 1.725 6.562 1.00 0.79 H new ATOM 0 HD2 ARG A 106 3.354 3.529 8.372 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.703 3.950 7.965 1.00 0.87 H new ATOM 0 HE ARG A 106 2.230 1.098 8.584 1.00 1.30 H new ATOM 0 HH11 ARG A 106 0.962 4.231 9.629 1.00 1.88 H new ATOM 0 HH12 ARG A 106 0.083 3.541 10.998 1.00 1.88 H new ATOM 0 HH21 ARG A 106 1.115 0.228 10.334 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.170 1.277 11.396 1.00 2.63 H new ATOM 1437 N THR A 107 4.201 6.833 5.179 1.00 0.34 N ATOM 1438 CA THR A 107 5.077 7.694 4.409 1.00 0.36 C ATOM 1439 C THR A 107 6.471 7.076 4.328 1.00 0.40 C ATOM 1440 O THR A 107 7.047 6.661 5.339 1.00 0.56 O ATOM 1441 CB THR A 107 5.147 9.125 4.997 1.00 0.50 C ATOM 1442 OG1 THR A 107 6.002 9.948 4.193 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.649 9.118 6.436 1.00 0.64 C ATOM 0 H THR A 107 4.198 7.015 6.183 1.00 0.34 H new ATOM 0 HA THR A 107 4.663 7.781 3.405 1.00 0.36 H new ATOM 0 HB THR A 107 4.136 9.532 4.993 1.00 0.50 H new ATOM 0 HG1 THR A 107 6.038 10.851 4.572 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.684 10.140 6.814 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.974 8.526 7.054 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.648 8.684 6.471 1.00 0.64 H new ATOM 1451 N VAL A 108 6.995 6.976 3.118 1.00 0.44 N ATOM 1452 CA VAL A 108 8.309 6.398 2.907 1.00 0.60 C ATOM 1453 C VAL A 108 9.264 7.422 2.306 1.00 0.68 C ATOM 1454 O VAL A 108 9.166 7.787 1.136 1.00 0.86 O ATOM 1455 CB VAL A 108 8.248 5.135 2.012 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.612 3.982 2.770 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.477 5.402 0.724 1.00 0.97 C ATOM 0 H VAL A 108 6.529 7.288 2.266 1.00 0.44 H new ATOM 0 HA VAL A 108 8.685 6.096 3.885 1.00 0.60 H new ATOM 0 HB VAL A 108 9.270 4.868 1.744 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.576 3.101 2.129 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.204 3.760 3.658 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.600 4.256 3.067 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.453 4.495 0.119 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.458 5.704 0.966 1.00 0.97 H new ATOM 0 HG23 VAL A 108 7.968 6.198 0.165 1.00 0.97 H new ATOM 1467 N THR A 109 10.196 7.881 3.119 1.00 0.68 N ATOM 1468 CA THR A 109 11.184 8.844 2.673 1.00 0.78 C ATOM 1469 C THR A 109 12.535 8.174 2.469 1.00 0.71 C ATOM 1470 O THR A 109 13.522 8.823 2.120 1.00 0.88 O ATOM 1471 CB THR A 109 11.311 9.998 3.682 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.283 9.480 5.021 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.187 11.005 3.493 1.00 1.11 C ATOM 0 H THR A 109 10.290 7.601 4.095 1.00 0.68 H new ATOM 0 HA THR A 109 10.851 9.252 1.718 1.00 0.78 H new ATOM 0 HB THR A 109 12.261 10.505 3.510 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.366 10.219 5.659 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.296 11.813 4.217 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.231 11.414 2.484 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.227 10.511 3.643 1.00 1.11 H new ATOM 1481 N SER A 110 12.570 6.867 2.686 1.00 0.59 N ATOM 1482 CA SER A 110 13.785 6.086 2.514 1.00 0.54 C ATOM 1483 C SER A 110 13.430 4.632 2.201 1.00 0.49 C ATOM 1484 O SER A 110 12.360 4.170 2.602 1.00 0.51 O ATOM 1485 CB SER A 110 14.648 6.163 3.780 1.00 0.62 C ATOM 1486 OG SER A 110 14.900 7.511 4.147 1.00 0.93 O ATOM 0 H SER A 110 11.762 6.321 2.985 1.00 0.59 H new ATOM 0 HA SER A 110 14.355 6.496 1.680 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.145 5.648 4.598 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.593 5.646 3.611 1.00 0.62 H new ATOM 0 HG SER A 110 15.451 7.532 4.957 1.00 0.93 H new ATOM 1492 N PRO A 111 14.295 3.898 1.478 1.00 0.49 N ATOM 1493 CA PRO A 111 14.029 2.499 1.102 1.00 0.49 C ATOM 1494 C PRO A 111 13.644 1.630 2.297 1.00 0.45 C ATOM 1495 O PRO A 111 12.668 0.873 2.244 1.00 0.50 O ATOM 1496 CB PRO A 111 15.362 2.036 0.512 1.00 0.58 C ATOM 1497 CG PRO A 111 16.002 3.278 0.006 1.00 0.60 C ATOM 1498 CD PRO A 111 15.594 4.369 0.958 1.00 0.54 C ATOM 0 HA PRO A 111 13.187 2.417 0.415 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.981 1.550 1.266 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.211 1.313 -0.290 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.086 3.173 -0.027 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.673 3.502 -1.009 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.324 4.499 1.757 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.500 5.330 0.452 1.00 0.54 H new ATOM 1506 N ASP A 112 14.398 1.776 3.382 1.00 0.47 N ATOM 1507 CA ASP A 112 14.219 0.956 4.577 1.00 0.49 C ATOM 1508 C ASP A 112 12.832 1.128 5.178 1.00 0.43 C ATOM 1509 O ASP A 112 12.274 0.185 5.739 1.00 0.45 O ATOM 1510 CB ASP A 112 15.281 1.301 5.625 1.00 0.60 C ATOM 1511 CG ASP A 112 16.689 1.009 5.148 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.187 -0.107 5.395 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.307 1.898 4.521 1.00 2.04 O ATOM 0 H ASP A 112 15.148 2.463 3.459 1.00 0.47 H new ATOM 0 HA ASP A 112 14.330 -0.085 4.275 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.201 2.357 5.884 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.085 0.734 6.535 1.00 0.60 H new ATOM 1518 N GLU A 113 12.273 2.325 5.046 1.00 0.43 N ATOM 1519 CA GLU A 113 10.945 2.617 5.576 1.00 0.45 C ATOM 1520 C GLU A 113 9.913 1.651 5.008 1.00 0.37 C ATOM 1521 O GLU A 113 9.077 1.120 5.736 1.00 0.40 O ATOM 1522 CB GLU A 113 10.535 4.050 5.234 1.00 0.57 C ATOM 1523 CG GLU A 113 11.361 5.115 5.931 1.00 0.78 C ATOM 1524 CD GLU A 113 11.179 5.099 7.433 1.00 1.46 C ATOM 1525 OE1 GLU A 113 10.021 5.165 7.898 1.00 2.21 O ATOM 1526 OE2 GLU A 113 12.192 5.043 8.157 1.00 2.13 O ATOM 0 H GLU A 113 12.720 3.112 4.575 1.00 0.43 H new ATOM 0 HA GLU A 113 10.985 2.501 6.659 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.615 4.192 4.156 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.486 4.189 5.497 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.414 4.966 5.694 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.083 6.096 5.545 1.00 0.78 H new ATOM 1533 N ALA A 114 10.004 1.418 3.704 1.00 0.37 N ATOM 1534 CA ALA A 114 9.036 0.594 2.996 1.00 0.39 C ATOM 1535 C ALA A 114 9.040 -0.842 3.503 1.00 0.36 C ATOM 1536 O ALA A 114 8.021 -1.346 3.976 1.00 0.38 O ATOM 1537 CB ALA A 114 9.325 0.625 1.503 1.00 0.48 C ATOM 0 H ALA A 114 10.746 1.793 3.113 1.00 0.37 H new ATOM 0 HA ALA A 114 8.044 1.006 3.183 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.597 0.006 0.979 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.258 1.651 1.141 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.328 0.240 1.318 1.00 0.48 H new ATOM 1543 N LYS A 115 10.198 -1.486 3.426 1.00 0.38 N ATOM 1544 CA LYS A 115 10.313 -2.899 3.772 1.00 0.45 C ATOM 1545 C LYS A 115 10.019 -3.133 5.253 1.00 0.39 C ATOM 1546 O LYS A 115 9.537 -4.200 5.638 1.00 0.44 O ATOM 1547 CB LYS A 115 11.709 -3.420 3.417 1.00 0.57 C ATOM 1548 CG LYS A 115 12.826 -2.774 4.218 1.00 0.75 C ATOM 1549 CD LYS A 115 14.184 -3.323 3.825 1.00 0.77 C ATOM 1550 CE LYS A 115 15.280 -2.753 4.706 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.618 -3.266 4.329 1.00 1.53 N ATOM 0 H LYS A 115 11.072 -1.053 3.127 1.00 0.38 H new ATOM 0 HA LYS A 115 9.572 -3.449 3.192 1.00 0.45 H new ATOM 0 HB2 LYS A 115 11.736 -4.498 3.577 1.00 0.57 H new ATOM 0 HB3 LYS A 115 11.891 -3.251 2.356 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.810 -1.695 4.062 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.658 -2.945 5.281 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.177 -4.410 3.905 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.389 -3.082 2.782 1.00 0.77 H new ATOM 0 HE2 LYS A 115 15.275 -1.665 4.633 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.076 -3.004 5.747 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.338 -2.852 4.955 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.632 -4.302 4.423 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.825 -3.005 3.344 1.00 1.53 H new ATOM 1565 N ARG A 116 10.294 -2.122 6.071 1.00 0.36 N ATOM 1566 CA ARG A 116 10.092 -2.221 7.506 1.00 0.39 C ATOM 1567 C ARG A 116 8.618 -2.436 7.829 1.00 0.35 C ATOM 1568 O ARG A 116 8.266 -3.352 8.579 1.00 0.42 O ATOM 1569 CB ARG A 116 10.604 -0.960 8.195 1.00 0.50 C ATOM 1570 CG ARG A 116 10.648 -1.064 9.706 1.00 1.14 C ATOM 1571 CD ARG A 116 11.236 0.191 10.322 1.00 1.65 C ATOM 1572 NE ARG A 116 12.571 0.486 9.804 1.00 2.40 N ATOM 1573 CZ ARG A 116 12.975 1.704 9.449 1.00 3.29 C ATOM 1574 NH1 ARG A 116 12.139 2.731 9.531 1.00 3.61 N ATOM 1575 NH2 ARG A 116 14.215 1.889 9.014 1.00 4.21 N ATOM 0 H ARG A 116 10.659 -1.222 5.759 1.00 0.36 H new ATOM 0 HA ARG A 116 10.653 -3.080 7.875 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.605 -0.737 7.826 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.967 -0.121 7.916 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.642 -1.225 10.092 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.244 -1.929 9.997 1.00 1.14 H new ATOM 0 HD2 ARG A 116 10.576 1.035 10.123 1.00 1.65 H new ATOM 0 HD3 ARG A 116 11.286 0.074 11.405 1.00 1.65 H new ATOM 0 HE ARG A 116 13.231 -0.286 9.709 1.00 2.40 H new ATOM 0 HH11 ARG A 116 11.186 2.588 9.866 1.00 3.61 H new ATOM 0 HH12 ARG A 116 12.449 3.664 9.259 1.00 3.61 H new ATOM 0 HH21 ARG A 116 14.857 1.099 8.952 1.00 4.21 H new ATOM 0 HH22 ARG A 116 14.526 2.821 8.742 1.00 4.21 H new ATOM 1589 N TRP A 117 7.761 -1.601 7.245 1.00 0.31 N ATOM 1590 CA TRP A 117 6.323 -1.719 7.448 1.00 0.32 C ATOM 1591 C TRP A 117 5.816 -3.045 6.900 1.00 0.30 C ATOM 1592 O TRP A 117 5.014 -3.725 7.538 1.00 0.36 O ATOM 1593 CB TRP A 117 5.570 -0.573 6.767 1.00 0.36 C ATOM 1594 CG TRP A 117 5.835 0.778 7.355 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.370 1.855 6.712 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.570 1.203 8.698 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.450 2.924 7.568 1.00 0.53 N ATOM 1598 CE2 TRP A 117 5.967 2.549 8.794 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.036 0.576 9.827 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 5.847 3.278 9.974 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.915 1.302 10.997 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.319 2.641 11.063 1.00 0.99 C ATOM 0 H TRP A 117 8.039 -0.837 6.629 1.00 0.31 H new ATOM 0 HA TRP A 117 6.139 -1.671 8.521 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.839 -0.555 5.711 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.500 -0.775 6.820 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.685 1.865 5.679 1.00 0.47 H new ATOM 0 HE1 TRP A 117 6.811 3.848 7.330 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.724 -0.457 9.786 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.160 4.310 10.028 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.502 0.828 11.875 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.212 3.181 11.992 1.00 0.99 H new ATOM 1613 N ILE A 118 6.310 -3.411 5.718 1.00 0.29 N ATOM 1614 CA ILE A 118 5.882 -4.631 5.040 1.00 0.32 C ATOM 1615 C ILE A 118 6.098 -5.861 5.920 1.00 0.36 C ATOM 1616 O ILE A 118 5.262 -6.760 5.949 1.00 0.40 O ATOM 1617 CB ILE A 118 6.619 -4.817 3.694 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.304 -3.649 2.755 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.232 -6.141 3.044 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.055 -3.698 1.442 1.00 0.57 C ATOM 0 H ILE A 118 7.012 -2.875 5.208 1.00 0.29 H new ATOM 0 HA ILE A 118 4.815 -4.526 4.841 1.00 0.32 H new ATOM 0 HB ILE A 118 7.692 -4.834 3.887 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.234 -3.639 2.550 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.540 -2.714 3.263 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.762 -6.251 2.098 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.499 -6.964 3.707 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.158 -6.156 2.861 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.778 -2.838 0.832 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.128 -3.676 1.635 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.801 -4.616 0.911 1.00 0.57 H new ATOM 1632 N LYS A 119 7.207 -5.881 6.653 1.00 0.41 N ATOM 1633 CA LYS A 119 7.529 -7.006 7.526 1.00 0.53 C ATOM 1634 C LYS A 119 6.434 -7.223 8.573 1.00 0.55 C ATOM 1635 O LYS A 119 6.004 -8.352 8.818 1.00 0.67 O ATOM 1636 CB LYS A 119 8.876 -6.774 8.220 1.00 0.63 C ATOM 1637 CG LYS A 119 9.316 -7.936 9.100 1.00 1.09 C ATOM 1638 CD LYS A 119 10.688 -7.714 9.729 1.00 1.34 C ATOM 1639 CE LYS A 119 10.698 -6.559 10.724 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.979 -5.251 10.073 1.00 2.66 N ATOM 0 H LYS A 119 7.898 -5.131 6.660 1.00 0.41 H new ATOM 0 HA LYS A 119 7.595 -7.901 6.908 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.639 -6.593 7.463 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.811 -5.872 8.829 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.580 -8.087 9.889 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.338 -8.849 8.505 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.004 -8.627 10.235 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.416 -7.517 8.942 1.00 1.34 H new ATOM 0 HE2 LYS A 119 9.733 -6.510 11.229 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.450 -6.749 11.490 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.735 -4.761 10.591 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 11.280 -5.410 9.090 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 10.119 -4.667 10.082 1.00 2.66 H new ATOM 1654 N GLU A 120 5.986 -6.135 9.185 1.00 0.51 N ATOM 1655 CA GLU A 120 4.960 -6.202 10.222 1.00 0.63 C ATOM 1656 C GLU A 120 3.564 -6.312 9.613 1.00 0.60 C ATOM 1657 O GLU A 120 2.608 -6.697 10.288 1.00 0.79 O ATOM 1658 CB GLU A 120 5.050 -4.980 11.137 1.00 0.71 C ATOM 1659 CG GLU A 120 6.343 -4.922 11.934 1.00 1.43 C ATOM 1660 CD GLU A 120 6.391 -3.750 12.891 1.00 1.83 C ATOM 1661 OE1 GLU A 120 7.067 -2.748 12.580 1.00 2.48 O ATOM 1662 OE2 GLU A 120 5.756 -3.826 13.964 1.00 2.33 O ATOM 0 H GLU A 120 6.317 -5.192 8.982 1.00 0.51 H new ATOM 0 HA GLU A 120 5.137 -7.099 10.815 1.00 0.63 H new ATOM 0 HB2 GLU A 120 4.961 -4.076 10.535 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.206 -4.988 11.827 1.00 0.71 H new ATOM 0 HG2 GLU A 120 6.460 -5.849 12.496 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.186 -4.858 11.246 1.00 1.43 H new ATOM 1669 N PHE A 121 3.456 -5.953 8.343 1.00 0.44 N ATOM 1670 CA PHE A 121 2.193 -6.016 7.624 1.00 0.43 C ATOM 1671 C PHE A 121 1.907 -7.434 7.135 1.00 0.46 C ATOM 1672 O PHE A 121 0.777 -7.914 7.222 1.00 0.54 O ATOM 1673 CB PHE A 121 2.224 -5.043 6.440 1.00 0.38 C ATOM 1674 CG PHE A 121 1.032 -5.131 5.527 1.00 0.43 C ATOM 1675 CD1 PHE A 121 1.140 -5.741 4.287 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.190 -4.601 5.903 1.00 1.19 C ATOM 1677 CE1 PHE A 121 0.052 -5.819 3.441 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.283 -4.678 5.062 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.161 -5.287 3.830 1.00 0.67 C ATOM 0 H PHE A 121 4.238 -5.611 7.784 1.00 0.44 H new ATOM 0 HA PHE A 121 1.393 -5.730 8.307 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.297 -4.026 6.824 1.00 0.38 H new ATOM 0 HB3 PHE A 121 3.126 -5.229 5.857 1.00 0.38 H new ATOM 0 HD1 PHE A 121 2.087 -6.160 3.979 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.290 -4.121 6.866 1.00 1.19 H new ATOM 0 HE1 PHE A 121 0.150 -6.295 2.477 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.232 -4.262 5.368 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.014 -5.347 3.170 1.00 0.67 H new ATOM 1689 N SER A 122 2.931 -8.101 6.620 1.00 0.44 N ATOM 1690 CA SER A 122 2.765 -9.437 6.077 1.00 0.50 C ATOM 1691 C SER A 122 2.668 -10.477 7.195 1.00 0.58 C ATOM 1692 O SER A 122 1.822 -11.372 7.148 1.00 0.80 O ATOM 1693 CB SER A 122 3.917 -9.764 5.124 1.00 0.57 C ATOM 1694 OG SER A 122 5.168 -9.664 5.779 1.00 1.31 O ATOM 0 H SER A 122 3.883 -7.737 6.568 1.00 0.44 H new ATOM 0 HA SER A 122 1.831 -9.468 5.517 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.790 -10.772 4.729 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.893 -9.083 4.274 1.00 0.57 H new ATOM 0 HG SER A 122 5.566 -10.556 5.863 1.00 1.31 H new ATOM 1700 N GLU A 123 3.530 -10.355 8.197 1.00 0.63 N ATOM 1701 CA GLU A 123 3.500 -11.261 9.336 1.00 0.81 C ATOM 1702 C GLU A 123 2.814 -10.602 10.523 1.00 0.92 C ATOM 1703 O GLU A 123 3.347 -9.665 11.115 1.00 1.44 O ATOM 1704 CB GLU A 123 4.912 -11.703 9.748 1.00 1.25 C ATOM 1705 CG GLU A 123 5.533 -12.762 8.848 1.00 1.57 C ATOM 1706 CD GLU A 123 6.034 -12.212 7.531 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.262 -12.200 6.552 1.00 2.53 O ATOM 1708 OE2 GLU A 123 7.212 -11.798 7.463 1.00 2.37 O ATOM 0 H GLU A 123 4.256 -9.640 8.243 1.00 0.63 H new ATOM 0 HA GLU A 123 2.938 -12.143 9.030 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.563 -10.829 9.761 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.875 -12.088 10.767 1.00 1.25 H new ATOM 0 HG2 GLU A 123 6.362 -13.235 9.375 1.00 1.57 H new ATOM 0 HG3 GLU A 123 4.795 -13.540 8.651 1.00 1.57 H new