USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ 166:sc= 1.18 (180deg=-0.126) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.671 K(o=1.9,f=-11!) USER MOD Set 2.1: A 55 ASN : amide:sc= 1.85 K(o=3.7,f=-8.7!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.087 USER MOD Set 2.3: A 62 TYR OH : rot 40:sc= 1.9 USER MOD Set 3.1: A 11 TYR OH : rot 21:sc= 1.47 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 158:sc= 0.751 (180deg=0.273) USER MOD Single : A 7 SER OG : rot 34:sc= 0.151 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.00344 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= -0.0311 (180deg=-0.268) USER MOD Single : A 14 SER OG : rot -71:sc= -3.08! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.99! C(o=-3!,f=-4.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc=-0.00611 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 2.29 (180deg=2.17) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 39 MET CE :methyl -170:sc= -1.59 (180deg=-1.79) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.601) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 33:sc= 1.25 USER MOD Single : A 52 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 57 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.24) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 66 ASN :FLIP amide:sc= -2.47! C(o=-3.9!,f=-2.5!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.564 USER MOD Single : A 74 SER OG : rot 24:sc= 0.788 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.183 1.702 -2.901 1.00 0.00 N ATOM 79 CA SER A 7 -13.379 0.675 -2.367 1.00 0.00 C ATOM 80 C SER A 7 -12.202 1.322 -1.659 1.00 0.00 C ATOM 81 O SER A 7 -11.355 1.955 -2.287 1.00 0.00 O ATOM 82 CB SER A 7 -12.919 -0.238 -3.477 1.00 0.00 C ATOM 83 OG SER A 7 -14.030 -0.725 -4.216 1.00 0.00 O ATOM 0 HA SER A 7 -13.939 0.070 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.242 0.300 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.359 -1.074 -3.059 1.00 0.00 H new ATOM 0 HG SER A 7 -14.727 -0.037 -4.251 1.00 0.00 H new ATOM 89 N CYS A 8 -12.181 1.210 -0.374 1.00 0.00 N ATOM 90 CA CYS A 8 -11.170 1.853 0.413 1.00 0.00 C ATOM 91 C CYS A 8 -10.426 0.856 1.282 1.00 0.00 C ATOM 92 O CYS A 8 -11.036 -0.024 1.882 1.00 0.00 O ATOM 93 CB CYS A 8 -11.816 2.958 1.260 1.00 0.00 C ATOM 94 SG CYS A 8 -13.202 2.393 2.285 1.00 0.00 S ATOM 0 H CYS A 8 -12.860 0.673 0.165 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.433 2.300 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.056 3.397 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.167 3.750 0.598 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.677 3.395 2.963 1.00 0.00 H new ATOM 100 N VAL A 9 -9.122 0.971 1.317 1.00 0.00 N ATOM 101 CA VAL A 9 -8.308 0.125 2.166 1.00 0.00 C ATOM 102 C VAL A 9 -7.769 0.929 3.319 1.00 0.00 C ATOM 103 O VAL A 9 -7.163 1.995 3.123 1.00 0.00 O ATOM 104 CB VAL A 9 -7.128 -0.578 1.405 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.168 -1.256 2.377 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.664 -1.629 0.481 1.00 0.00 C ATOM 0 H VAL A 9 -8.594 1.647 0.764 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.959 -0.671 2.528 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.598 0.194 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.362 -1.733 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.749 -0.511 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.706 -2.009 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.837 -2.110 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.212 -2.375 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.333 -1.168 -0.245 1.00 0.00 H new ATOM 116 N HIS A 10 -8.043 0.444 4.496 1.00 0.00 N ATOM 117 CA HIS A 10 -7.546 0.996 5.715 1.00 0.00 C ATOM 118 C HIS A 10 -6.126 0.563 5.888 1.00 0.00 C ATOM 119 O HIS A 10 -5.844 -0.628 6.105 1.00 0.00 O ATOM 120 CB HIS A 10 -8.382 0.532 6.909 1.00 0.00 C ATOM 121 CG HIS A 10 -9.732 1.174 7.006 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.982 2.325 7.719 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.923 0.805 6.464 1.00 0.00 C ATOM 124 CE1 HIS A 10 -11.280 2.617 7.599 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.903 1.722 6.843 1.00 0.00 N ATOM 0 H HIS A 10 -8.638 -0.373 4.634 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.607 2.083 5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.511 -0.549 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.829 0.737 7.826 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -11.085 -0.061 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.759 3.470 8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.891 1.708 6.592 1.00 0.00 H new ATOM 133 N TYR A 11 -5.242 1.484 5.769 1.00 0.00 N ATOM 134 CA TYR A 11 -3.860 1.182 5.853 1.00 0.00 C ATOM 135 C TYR A 11 -3.217 2.102 6.855 1.00 0.00 C ATOM 136 O TYR A 11 -3.593 3.264 6.946 1.00 0.00 O ATOM 137 CB TYR A 11 -3.186 1.340 4.462 1.00 0.00 C ATOM 138 CG TYR A 11 -2.960 2.785 3.966 1.00 0.00 C ATOM 139 CD1 TYR A 11 -1.773 3.466 4.272 1.00 0.00 C ATOM 140 CD2 TYR A 11 -3.906 3.451 3.198 1.00 0.00 C ATOM 141 CE1 TYR A 11 -1.538 4.752 3.842 1.00 0.00 C ATOM 142 CE2 TYR A 11 -3.671 4.757 2.756 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.475 5.397 3.088 1.00 0.00 C ATOM 144 OH TYR A 11 -2.232 6.698 2.666 1.00 0.00 O ATOM 0 H TYR A 11 -5.455 2.469 5.611 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.733 0.148 6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.221 0.834 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.797 0.818 3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.020 2.966 4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.831 2.956 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.615 5.249 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.412 5.269 2.160 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.269 6.875 2.691 1.00 0.00 H new ATOM 154 N LYS A 12 -2.301 1.616 7.632 1.00 0.00 N ATOM 155 CA LYS A 12 -1.576 2.519 8.477 1.00 0.00 C ATOM 156 C LYS A 12 -0.136 2.475 8.069 1.00 0.00 C ATOM 157 O LYS A 12 0.430 1.398 7.868 1.00 0.00 O ATOM 158 CB LYS A 12 -1.762 2.278 9.999 1.00 0.00 C ATOM 159 CG LYS A 12 -1.009 1.108 10.603 1.00 0.00 C ATOM 160 CD LYS A 12 -1.217 1.063 12.113 1.00 0.00 C ATOM 161 CE LYS A 12 -0.309 0.038 12.786 1.00 0.00 C ATOM 162 NZ LYS A 12 1.129 0.364 12.638 1.00 0.00 N ATOM 0 H LYS A 12 -2.041 0.632 7.702 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.988 3.518 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.461 3.184 10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.825 2.134 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.353 0.176 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.054 1.197 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.025 2.050 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.258 0.822 12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.557 -0.021 13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.500 -0.947 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.684 -0.202 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.436 0.148 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.277 1.375 12.831 1.00 0.00 H new ATOM 176 N PHE A 13 0.434 3.619 7.881 1.00 0.00 N ATOM 177 CA PHE A 13 1.795 3.706 7.444 1.00 0.00 C ATOM 178 C PHE A 13 2.686 3.616 8.666 1.00 0.00 C ATOM 179 O PHE A 13 2.214 3.802 9.782 1.00 0.00 O ATOM 180 CB PHE A 13 2.025 5.049 6.718 1.00 0.00 C ATOM 181 CG PHE A 13 3.038 4.970 5.614 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.394 4.872 5.881 1.00 0.00 C ATOM 183 CD2 PHE A 13 2.620 4.950 4.303 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.304 4.756 4.862 1.00 0.00 C ATOM 185 CE2 PHE A 13 3.522 4.826 3.282 1.00 0.00 C ATOM 186 CZ PHE A 13 4.864 4.728 3.560 1.00 0.00 C ATOM 0 H PHE A 13 -0.025 4.519 8.024 1.00 0.00 H new ATOM 0 HA PHE A 13 2.025 2.896 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.078 5.397 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.349 5.794 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.738 4.887 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.567 5.033 4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.359 4.687 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.179 4.805 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.575 4.629 2.753 1.00 0.00 H new ATOM 196 N SER A 14 3.946 3.344 8.463 1.00 0.00 N ATOM 197 CA SER A 14 4.935 3.313 9.520 1.00 0.00 C ATOM 198 C SER A 14 4.992 4.657 10.283 1.00 0.00 C ATOM 199 O SER A 14 5.369 4.699 11.457 1.00 0.00 O ATOM 200 CB SER A 14 6.286 2.988 8.897 1.00 0.00 C ATOM 201 OG SER A 14 6.165 1.858 8.043 1.00 0.00 O ATOM 0 H SER A 14 4.328 3.133 7.541 1.00 0.00 H new ATOM 0 HA SER A 14 4.663 2.549 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.651 3.845 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.018 2.787 9.679 1.00 0.00 H new ATOM 0 HG SER A 14 6.029 1.052 8.584 1.00 0.00 H new ATOM 207 N SER A 15 4.585 5.728 9.612 1.00 0.00 N ATOM 208 CA SER A 15 4.564 7.056 10.195 1.00 0.00 C ATOM 209 C SER A 15 3.169 7.400 10.777 1.00 0.00 C ATOM 210 O SER A 15 2.998 8.428 11.431 1.00 0.00 O ATOM 211 CB SER A 15 4.905 8.068 9.103 1.00 0.00 C ATOM 212 OG SER A 15 6.071 7.678 8.397 1.00 0.00 O ATOM 0 H SER A 15 4.260 5.695 8.646 1.00 0.00 H new ATOM 0 HA SER A 15 5.290 7.090 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.068 8.157 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.056 9.052 9.548 1.00 0.00 H new ATOM 0 HG SER A 15 6.269 8.340 7.702 1.00 0.00 H new ATOM 218 N LYS A 16 2.175 6.559 10.521 1.00 0.00 N ATOM 219 CA LYS A 16 0.816 6.843 10.955 1.00 0.00 C ATOM 220 C LYS A 16 0.393 5.869 12.023 1.00 0.00 C ATOM 221 O LYS A 16 0.435 4.661 11.817 1.00 0.00 O ATOM 222 CB LYS A 16 -0.148 6.745 9.779 1.00 0.00 C ATOM 223 CG LYS A 16 0.168 7.689 8.645 1.00 0.00 C ATOM 224 CD LYS A 16 -0.788 7.499 7.492 1.00 0.00 C ATOM 225 CE LYS A 16 -0.430 8.437 6.363 1.00 0.00 C ATOM 226 NZ LYS A 16 -1.344 8.353 5.206 1.00 0.00 N ATOM 0 H LYS A 16 2.285 5.679 10.017 1.00 0.00 H new ATOM 0 HA LYS A 16 0.793 7.855 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.140 5.723 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.159 6.945 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.114 8.718 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.190 7.523 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.750 6.467 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.810 7.687 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.429 9.460 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.584 8.219 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.288 9.233 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.070 7.550 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.319 8.217 5.543 1.00 0.00 H new ATOM 240 N LEU A 17 -0.021 6.378 13.152 1.00 0.00 N ATOM 241 CA LEU A 17 -0.464 5.523 14.241 1.00 0.00 C ATOM 242 C LEU A 17 -1.943 5.234 14.117 1.00 0.00 C ATOM 243 O LEU A 17 -2.513 4.467 14.886 1.00 0.00 O ATOM 244 CB LEU A 17 -0.144 6.110 15.626 1.00 0.00 C ATOM 245 CG LEU A 17 1.341 6.232 16.011 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.035 7.356 15.262 1.00 0.00 C ATOM 247 CD2 LEU A 17 1.488 6.414 17.500 1.00 0.00 C ATOM 0 H LEU A 17 -0.064 7.378 13.350 1.00 0.00 H new ATOM 0 HA LEU A 17 0.093 4.590 14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.591 7.103 15.684 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.638 5.494 16.377 1.00 0.00 H new ATOM 0 HG LEU A 17 1.829 5.302 15.720 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.081 7.404 15.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.977 7.169 14.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.546 8.303 15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.545 6.498 17.754 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.967 7.320 17.809 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.059 5.555 18.016 1.00 0.00 H new ATOM 259 N ASN A 18 -2.557 5.852 13.163 1.00 0.00 N ATOM 260 CA ASN A 18 -3.950 5.629 12.866 1.00 0.00 C ATOM 261 C ASN A 18 -4.057 5.181 11.433 1.00 0.00 C ATOM 262 O ASN A 18 -3.071 5.273 10.680 1.00 0.00 O ATOM 263 CB ASN A 18 -4.811 6.887 13.119 1.00 0.00 C ATOM 264 CG ASN A 18 -4.438 8.085 12.257 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.950 8.260 11.156 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.573 8.928 12.760 1.00 0.00 N ATOM 0 H ASN A 18 -2.108 6.537 12.555 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.338 4.859 13.534 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.857 6.638 12.942 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.723 7.168 14.169 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.306 9.760 12.234 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.165 8.753 13.679 1.00 0.00 H new ATOM 273 N TYR A 19 -5.199 4.691 11.050 1.00 0.00 N ATOM 274 CA TYR A 19 -5.366 4.195 9.716 1.00 0.00 C ATOM 275 C TYR A 19 -5.857 5.254 8.771 1.00 0.00 C ATOM 276 O TYR A 19 -6.659 6.125 9.133 1.00 0.00 O ATOM 277 CB TYR A 19 -6.273 2.976 9.670 1.00 0.00 C ATOM 278 CG TYR A 19 -5.679 1.723 10.294 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.632 1.549 11.671 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.186 0.706 9.499 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.116 0.403 12.230 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.663 -0.443 10.049 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.634 -0.592 11.413 1.00 0.00 C ATOM 284 OH TYR A 19 -4.116 -1.738 11.967 1.00 0.00 O ATOM 0 H TYR A 19 -6.027 4.624 11.641 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.375 3.889 9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.206 3.214 10.181 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.524 2.765 8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.008 2.329 12.316 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.211 0.814 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.090 0.286 13.303 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.277 -1.223 9.410 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.820 -2.341 11.254 1.00 0.00 H new ATOM 294 N ASP A 20 -5.364 5.172 7.581 1.00 0.00 N ATOM 295 CA ASP A 20 -5.707 6.049 6.499 1.00 0.00 C ATOM 296 C ASP A 20 -6.474 5.188 5.500 1.00 0.00 C ATOM 297 O ASP A 20 -6.591 3.977 5.704 1.00 0.00 O ATOM 298 CB ASP A 20 -4.424 6.590 5.864 1.00 0.00 C ATOM 299 CG ASP A 20 -4.618 7.854 5.025 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.373 7.839 4.030 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.973 8.877 5.330 1.00 0.00 O ATOM 0 H ASP A 20 -4.680 4.462 7.319 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.303 6.901 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.703 6.800 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.990 5.814 5.234 1.00 0.00 H new ATOM 306 N THR A 21 -6.940 5.755 4.436 1.00 0.00 N ATOM 307 CA THR A 21 -7.765 5.052 3.512 1.00 0.00 C ATOM 308 C THR A 21 -7.417 5.416 2.096 1.00 0.00 C ATOM 309 O THR A 21 -7.521 6.584 1.693 1.00 0.00 O ATOM 310 CB THR A 21 -9.253 5.325 3.779 1.00 0.00 C ATOM 311 OG1 THR A 21 -9.419 6.670 4.276 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.840 4.322 4.754 1.00 0.00 C ATOM 0 H THR A 21 -6.757 6.726 4.182 1.00 0.00 H new ATOM 0 HA THR A 21 -7.581 3.987 3.652 1.00 0.00 H new ATOM 0 HB THR A 21 -9.793 5.218 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.369 6.842 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.894 4.548 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.744 3.317 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.305 4.380 5.702 1.00 0.00 H new ATOM 320 N VAL A 22 -6.978 4.446 1.357 1.00 0.00 N ATOM 321 CA VAL A 22 -6.677 4.648 -0.025 1.00 0.00 C ATOM 322 C VAL A 22 -7.915 4.220 -0.813 1.00 0.00 C ATOM 323 O VAL A 22 -8.606 3.267 -0.406 1.00 0.00 O ATOM 324 CB VAL A 22 -5.400 3.863 -0.454 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.612 2.358 -0.532 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.804 4.437 -1.718 1.00 0.00 C ATOM 0 H VAL A 22 -6.819 3.496 1.693 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.449 5.695 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.668 4.000 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.683 1.875 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.914 1.982 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.391 2.138 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.915 3.869 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.535 4.378 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.531 5.479 -1.551 1.00 0.00 H new ATOM 336 N THR A 23 -8.235 4.924 -1.861 1.00 0.00 N ATOM 337 CA THR A 23 -9.451 4.659 -2.583 1.00 0.00 C ATOM 338 C THR A 23 -9.217 4.192 -4.016 1.00 0.00 C ATOM 339 O THR A 23 -8.407 4.758 -4.756 1.00 0.00 O ATOM 340 CB THR A 23 -10.421 5.872 -2.540 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.719 7.098 -2.819 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.115 5.977 -1.186 1.00 0.00 C ATOM 0 H THR A 23 -7.672 5.687 -2.236 1.00 0.00 H new ATOM 0 HA THR A 23 -9.925 3.826 -2.064 1.00 0.00 H new ATOM 0 HB THR A 23 -11.178 5.711 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.348 7.849 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.787 6.835 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.687 5.068 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.367 6.103 -0.403 1.00 0.00 H new ATOM 350 N PHE A 24 -9.918 3.149 -4.373 1.00 0.00 N ATOM 351 CA PHE A 24 -9.893 2.557 -5.686 1.00 0.00 C ATOM 352 C PHE A 24 -11.288 2.096 -6.013 1.00 0.00 C ATOM 353 O PHE A 24 -12.200 2.247 -5.188 1.00 0.00 O ATOM 354 CB PHE A 24 -8.878 1.385 -5.778 1.00 0.00 C ATOM 355 CG PHE A 24 -9.016 0.325 -4.710 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.411 0.509 -3.492 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.732 -0.856 -4.926 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.505 -0.432 -2.513 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.827 -1.806 -3.937 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.216 -1.596 -2.730 1.00 0.00 C ATOM 0 H PHE A 24 -10.548 2.668 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.561 3.300 -6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.984 0.910 -6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.869 1.795 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.852 1.414 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.214 -1.023 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.021 -0.268 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.382 -2.716 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.290 -2.339 -1.949 1.00 0.00 H new ATOM 370 N ASP A 25 -11.483 1.587 -7.182 1.00 0.00 N ATOM 371 CA ASP A 25 -12.785 1.108 -7.568 1.00 0.00 C ATOM 372 C ASP A 25 -12.704 -0.359 -7.916 1.00 0.00 C ATOM 373 O ASP A 25 -11.820 -0.770 -8.684 1.00 0.00 O ATOM 374 CB ASP A 25 -13.318 1.904 -8.757 1.00 0.00 C ATOM 375 CG ASP A 25 -14.728 1.524 -9.116 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.930 0.571 -9.907 1.00 0.00 O ATOM 377 OD2 ASP A 25 -15.669 2.175 -8.614 1.00 0.00 O ATOM 0 H ASP A 25 -10.761 1.488 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.472 1.241 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.279 2.968 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.670 1.742 -9.619 1.00 0.00 H new ATOM 382 N GLY A 26 -13.562 -1.150 -7.325 1.00 0.00 N ATOM 383 CA GLY A 26 -13.593 -2.548 -7.624 1.00 0.00 C ATOM 384 C GLY A 26 -13.766 -3.372 -6.383 1.00 0.00 C ATOM 385 O GLY A 26 -14.803 -3.310 -5.726 1.00 0.00 O ATOM 0 H GLY A 26 -14.247 -0.844 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.409 -2.755 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.669 -2.834 -8.126 1.00 0.00 H new ATOM 389 N LEU A 27 -12.764 -4.131 -6.055 1.00 0.00 N ATOM 390 CA LEU A 27 -12.794 -4.973 -4.882 1.00 0.00 C ATOM 391 C LEU A 27 -11.395 -5.019 -4.292 1.00 0.00 C ATOM 392 O LEU A 27 -11.210 -4.909 -3.067 1.00 0.00 O ATOM 393 CB LEU A 27 -13.308 -6.402 -5.266 1.00 0.00 C ATOM 394 CG LEU A 27 -13.710 -7.396 -4.126 1.00 0.00 C ATOM 395 CD1 LEU A 27 -12.521 -7.905 -3.327 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.732 -6.766 -3.196 1.00 0.00 C ATOM 0 H LEU A 27 -11.898 -4.189 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.479 -4.572 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.175 -6.276 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.532 -6.882 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.152 -8.260 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.869 -8.589 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.833 -8.428 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.007 -7.063 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.996 -7.475 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.309 -5.868 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.625 -6.502 -3.762 1.00 0.00 H new ATOM 408 N HIS A 28 -10.413 -5.145 -5.158 1.00 0.00 N ATOM 409 CA HIS A 28 -9.030 -5.247 -4.745 1.00 0.00 C ATOM 410 C HIS A 28 -8.083 -4.563 -5.679 1.00 0.00 C ATOM 411 O HIS A 28 -8.347 -4.416 -6.875 1.00 0.00 O ATOM 412 CB HIS A 28 -8.592 -6.693 -4.485 1.00 0.00 C ATOM 413 CG HIS A 28 -9.142 -7.732 -5.409 1.00 0.00 C ATOM 414 ND1 HIS A 28 -9.634 -8.923 -4.953 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.263 -7.765 -6.756 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.039 -9.636 -5.994 1.00 0.00 C ATOM 417 NE2 HIS A 28 -9.838 -8.979 -7.125 1.00 0.00 N ATOM 0 H HIS A 28 -10.551 -5.180 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.983 -4.714 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.504 -6.734 -4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.875 -6.958 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.963 -6.979 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.475 -10.622 -5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.058 -9.295 -8.069 1.00 0.00 H new ATOM 425 N ILE A 29 -6.981 -4.156 -5.131 1.00 0.00 N ATOM 426 CA ILE A 29 -5.989 -3.455 -5.862 1.00 0.00 C ATOM 427 C ILE A 29 -4.653 -4.197 -5.816 1.00 0.00 C ATOM 428 O ILE A 29 -4.229 -4.667 -4.762 1.00 0.00 O ATOM 429 CB ILE A 29 -5.842 -1.996 -5.337 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.739 -1.270 -6.076 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.581 -1.966 -3.829 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.758 0.222 -5.885 1.00 0.00 C ATOM 0 H ILE A 29 -6.748 -4.307 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.306 -3.404 -6.904 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.786 -1.483 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.776 -1.657 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.821 -1.491 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.484 -0.932 -3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.413 -2.438 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.660 -2.506 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.938 0.671 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.706 0.623 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.644 0.455 -4.826 1.00 0.00 H new ATOM 444 N SER A 30 -4.039 -4.348 -6.962 1.00 0.00 N ATOM 445 CA SER A 30 -2.736 -4.960 -7.064 1.00 0.00 C ATOM 446 C SER A 30 -1.691 -4.095 -6.345 1.00 0.00 C ATOM 447 O SER A 30 -1.792 -2.872 -6.317 1.00 0.00 O ATOM 448 CB SER A 30 -2.364 -5.156 -8.526 1.00 0.00 C ATOM 449 OG SER A 30 -3.356 -5.933 -9.195 1.00 0.00 O ATOM 0 H SER A 30 -4.430 -4.049 -7.855 1.00 0.00 H new ATOM 0 HA SER A 30 -2.761 -5.938 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.262 -4.187 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.396 -5.652 -8.598 1.00 0.00 H new ATOM 0 HG SER A 30 -3.102 -6.048 -10.135 1.00 0.00 H new ATOM 455 N LEU A 31 -0.717 -4.743 -5.771 1.00 0.00 N ATOM 456 CA LEU A 31 0.299 -4.134 -4.961 1.00 0.00 C ATOM 457 C LEU A 31 1.078 -3.052 -5.689 1.00 0.00 C ATOM 458 O LEU A 31 1.343 -2.007 -5.111 1.00 0.00 O ATOM 459 CB LEU A 31 1.234 -5.198 -4.400 1.00 0.00 C ATOM 460 CG LEU A 31 2.312 -4.701 -3.461 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.703 -4.023 -2.264 1.00 0.00 C ATOM 462 CD2 LEU A 31 3.186 -5.833 -3.025 1.00 0.00 C ATOM 0 H LEU A 31 -0.605 -5.753 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.211 -3.634 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.634 -5.940 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.713 -5.710 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 31 2.922 -3.973 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.495 -3.673 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.103 -3.174 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.069 -4.730 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.956 -5.459 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.583 -6.580 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.657 -6.286 -3.897 1.00 0.00 H new ATOM 474 N CYS A 32 1.455 -3.298 -6.936 1.00 0.00 N ATOM 475 CA CYS A 32 2.162 -2.292 -7.718 1.00 0.00 C ATOM 476 C CYS A 32 1.320 -1.015 -7.783 1.00 0.00 C ATOM 477 O CYS A 32 1.810 0.072 -7.482 1.00 0.00 O ATOM 478 CB CYS A 32 2.454 -2.806 -9.134 1.00 0.00 C ATOM 479 SG CYS A 32 3.525 -1.727 -10.110 1.00 0.00 S ATOM 0 H CYS A 32 1.285 -4.177 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 32 3.115 -2.076 -7.235 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.917 -3.790 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.510 -2.936 -9.663 1.00 0.00 H new ATOM 0 HG CYS A 32 3.712 -2.249 -11.286 1.00 0.00 H new ATOM 485 N ASP A 33 0.038 -1.185 -8.058 1.00 0.00 N ATOM 486 CA ASP A 33 -0.914 -0.083 -8.143 1.00 0.00 C ATOM 487 C ASP A 33 -1.030 0.596 -6.793 1.00 0.00 C ATOM 488 O ASP A 33 -0.906 1.815 -6.683 1.00 0.00 O ATOM 489 CB ASP A 33 -2.298 -0.613 -8.561 1.00 0.00 C ATOM 490 CG ASP A 33 -2.358 -1.177 -9.955 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.106 -2.387 -10.130 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.708 -0.440 -10.895 1.00 0.00 O ATOM 0 H ASP A 33 -0.379 -2.100 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.560 0.632 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.604 -1.387 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.023 0.197 -8.479 1.00 0.00 H new ATOM 497 N LEU A 34 -1.188 -0.224 -5.775 1.00 0.00 N ATOM 498 CA LEU A 34 -1.394 0.203 -4.390 1.00 0.00 C ATOM 499 C LEU A 34 -0.226 1.068 -3.911 1.00 0.00 C ATOM 500 O LEU A 34 -0.419 2.165 -3.378 1.00 0.00 O ATOM 501 CB LEU A 34 -1.590 -1.093 -3.520 1.00 0.00 C ATOM 502 CG LEU A 34 -1.775 -1.017 -1.974 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.496 -0.649 -1.247 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.903 -0.083 -1.584 1.00 0.00 C ATOM 0 H LEU A 34 -1.178 -1.238 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.281 0.829 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.462 -1.613 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.726 -1.732 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.046 -2.024 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.685 -0.611 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.269 -1.398 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.151 0.327 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.997 -0.060 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.688 0.921 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.836 -0.437 -2.022 1.00 0.00 H new ATOM 516 N LYS A 35 0.972 0.598 -4.165 1.00 0.00 N ATOM 517 CA LYS A 35 2.165 1.290 -3.747 1.00 0.00 C ATOM 518 C LYS A 35 2.350 2.567 -4.529 1.00 0.00 C ATOM 519 O LYS A 35 2.661 3.598 -3.956 1.00 0.00 O ATOM 520 CB LYS A 35 3.394 0.402 -3.887 1.00 0.00 C ATOM 521 CG LYS A 35 3.324 -0.849 -3.043 1.00 0.00 C ATOM 522 CD LYS A 35 4.588 -1.694 -3.128 1.00 0.00 C ATOM 523 CE LYS A 35 4.909 -2.206 -4.502 1.00 0.00 C ATOM 524 NZ LYS A 35 6.057 -3.130 -4.447 1.00 0.00 N ATOM 0 H LYS A 35 1.146 -0.273 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 35 2.046 1.544 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.513 0.120 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.280 0.972 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.149 -0.571 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.471 -1.448 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.430 -1.101 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.487 -2.544 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.041 -2.717 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.136 -1.371 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.377 -3.345 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.834 -2.687 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.771 -4.011 -3.973 1.00 0.00 H new ATOM 538 N LYS A 36 2.133 2.503 -5.836 1.00 0.00 N ATOM 539 CA LYS A 36 2.289 3.673 -6.696 1.00 0.00 C ATOM 540 C LYS A 36 1.325 4.789 -6.316 1.00 0.00 C ATOM 541 O LYS A 36 1.712 5.970 -6.316 1.00 0.00 O ATOM 542 CB LYS A 36 2.161 3.315 -8.184 1.00 0.00 C ATOM 543 CG LYS A 36 3.467 2.878 -8.900 1.00 0.00 C ATOM 544 CD LYS A 36 4.203 1.745 -8.183 1.00 0.00 C ATOM 545 CE LYS A 36 5.378 1.195 -9.002 1.00 0.00 C ATOM 546 NZ LYS A 36 6.439 2.198 -9.262 1.00 0.00 N ATOM 0 H LYS A 36 1.848 1.655 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 36 3.301 4.044 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.432 2.511 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.755 4.179 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.227 2.561 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.132 3.738 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.571 2.106 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.502 0.937 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.813 0.346 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.003 0.820 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.201 1.761 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.038 2.998 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.823 2.539 -8.358 1.00 0.00 H new ATOM 560 N GLN A 37 0.088 4.432 -5.965 1.00 0.00 N ATOM 561 CA GLN A 37 -0.885 5.428 -5.538 1.00 0.00 C ATOM 562 C GLN A 37 -0.430 6.072 -4.240 1.00 0.00 C ATOM 563 O GLN A 37 -0.326 7.282 -4.151 1.00 0.00 O ATOM 564 CB GLN A 37 -2.277 4.828 -5.328 1.00 0.00 C ATOM 565 CG GLN A 37 -2.922 4.228 -6.563 1.00 0.00 C ATOM 566 CD GLN A 37 -4.340 3.766 -6.293 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.685 3.402 -5.176 1.00 0.00 O ATOM 568 NE2 GLN A 37 -5.162 3.746 -7.310 1.00 0.00 N ATOM 0 H GLN A 37 -0.257 3.472 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.951 6.170 -6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.209 4.055 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.934 5.605 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.927 4.966 -7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.325 3.385 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.845 4.056 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.121 3.421 -7.185 1.00 0.00 H new ATOM 577 N ILE A 38 -0.086 5.243 -3.266 1.00 0.00 N ATOM 578 CA ILE A 38 0.307 5.722 -1.936 1.00 0.00 C ATOM 579 C ILE A 38 1.591 6.557 -1.986 1.00 0.00 C ATOM 580 O ILE A 38 1.641 7.674 -1.445 1.00 0.00 O ATOM 581 CB ILE A 38 0.457 4.551 -0.917 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.902 3.866 -0.694 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.040 5.040 0.413 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.844 2.664 0.226 1.00 0.00 C ATOM 0 H ILE A 38 -0.069 4.228 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.500 6.367 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 38 1.154 3.825 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.600 4.594 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.302 3.553 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.132 4.200 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.024 5.477 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.380 5.792 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.842 2.238 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.173 1.916 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.476 2.972 1.205 1.00 0.00 H new ATOM 596 N MET A 39 2.600 6.049 -2.677 1.00 0.00 N ATOM 597 CA MET A 39 3.879 6.736 -2.764 1.00 0.00 C ATOM 598 C MET A 39 3.745 8.061 -3.501 1.00 0.00 C ATOM 599 O MET A 39 4.421 9.019 -3.174 1.00 0.00 O ATOM 600 CB MET A 39 4.979 5.852 -3.385 1.00 0.00 C ATOM 601 CG MET A 39 5.290 4.593 -2.570 1.00 0.00 C ATOM 602 SD MET A 39 6.623 3.587 -3.254 1.00 0.00 S ATOM 603 CE MET A 39 5.912 3.087 -4.812 1.00 0.00 C ATOM 0 H MET A 39 2.558 5.165 -3.185 1.00 0.00 H new ATOM 0 HA MET A 39 4.193 6.952 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.673 5.558 -4.389 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.890 6.441 -3.489 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.555 4.886 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.388 3.985 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.539 2.321 -5.269 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.913 2.685 -4.644 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.850 3.949 -5.477 1.00 0.00 H new ATOM 613 N GLY A 40 2.864 8.119 -4.471 1.00 0.00 N ATOM 614 CA GLY A 40 2.624 9.371 -5.156 1.00 0.00 C ATOM 615 C GLY A 40 1.834 10.331 -4.287 1.00 0.00 C ATOM 616 O GLY A 40 2.176 11.509 -4.157 1.00 0.00 O ATOM 0 H GLY A 40 2.309 7.330 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.576 9.825 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.080 9.183 -6.082 1.00 0.00 H new ATOM 620 N ARG A 41 0.826 9.788 -3.637 1.00 0.00 N ATOM 621 CA ARG A 41 -0.128 10.518 -2.805 1.00 0.00 C ATOM 622 C ARG A 41 0.561 11.245 -1.658 1.00 0.00 C ATOM 623 O ARG A 41 0.254 12.404 -1.347 1.00 0.00 O ATOM 624 CB ARG A 41 -1.128 9.511 -2.239 1.00 0.00 C ATOM 625 CG ARG A 41 -2.252 10.086 -1.421 1.00 0.00 C ATOM 626 CD ARG A 41 -3.133 8.967 -0.897 1.00 0.00 C ATOM 627 NE ARG A 41 -4.401 9.460 -0.370 1.00 0.00 N ATOM 628 CZ ARG A 41 -5.001 9.033 0.742 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.370 8.240 1.596 1.00 0.00 N ATOM 630 NH2 ARG A 41 -6.235 9.425 1.011 1.00 0.00 N ATOM 0 H ARG A 41 0.635 8.787 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.626 11.270 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.559 8.951 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.584 8.797 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.849 10.664 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.842 10.771 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.328 8.255 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.602 8.427 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.870 10.196 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.411 7.947 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.843 7.922 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.723 10.050 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.699 9.102 1.860 1.00 0.00 H new ATOM 644 N GLU A 42 1.493 10.583 -1.039 1.00 0.00 N ATOM 645 CA GLU A 42 2.145 11.147 0.120 1.00 0.00 C ATOM 646 C GLU A 42 3.513 11.651 -0.197 1.00 0.00 C ATOM 647 O GLU A 42 4.255 12.080 0.705 1.00 0.00 O ATOM 648 CB GLU A 42 2.161 10.161 1.250 1.00 0.00 C ATOM 649 CG GLU A 42 0.763 9.651 1.602 1.00 0.00 C ATOM 650 CD GLU A 42 0.708 8.862 2.880 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.044 9.434 3.946 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.235 7.703 2.875 1.00 0.00 O ATOM 0 H GLU A 42 1.822 9.656 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 42 1.564 12.013 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.796 9.316 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.606 10.628 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.086 10.501 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.398 9.028 0.786 1.00 0.00 H new ATOM 659 N LYS A 43 3.814 11.669 -1.476 1.00 0.00 N ATOM 660 CA LYS A 43 5.050 12.198 -1.989 1.00 0.00 C ATOM 661 C LYS A 43 6.258 11.451 -1.410 1.00 0.00 C ATOM 662 O LYS A 43 7.043 11.992 -0.613 1.00 0.00 O ATOM 663 CB LYS A 43 5.151 13.739 -1.774 1.00 0.00 C ATOM 664 CG LYS A 43 4.088 14.598 -2.512 1.00 0.00 C ATOM 665 CD LYS A 43 2.645 14.466 -1.996 1.00 0.00 C ATOM 666 CE LYS A 43 2.476 14.942 -0.562 1.00 0.00 C ATOM 667 NZ LYS A 43 1.073 14.783 -0.099 1.00 0.00 N ATOM 0 H LYS A 43 3.192 11.309 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 43 5.058 12.033 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.077 13.943 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.140 14.067 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.384 15.645 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.102 14.330 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.981 15.039 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.335 13.423 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.142 14.378 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.769 15.989 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.063 14.616 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.536 15.647 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.637 13.974 -0.585 1.00 0.00 H new ATOM 681 N LEU A 44 6.332 10.185 -1.743 1.00 0.00 N ATOM 682 CA LEU A 44 7.418 9.333 -1.334 1.00 0.00 C ATOM 683 C LEU A 44 8.415 9.190 -2.465 1.00 0.00 C ATOM 684 O LEU A 44 8.254 9.821 -3.522 1.00 0.00 O ATOM 685 CB LEU A 44 6.944 7.927 -0.916 1.00 0.00 C ATOM 686 CG LEU A 44 6.372 7.767 0.493 1.00 0.00 C ATOM 687 CD1 LEU A 44 5.061 8.483 0.662 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.227 6.312 0.837 1.00 0.00 C ATOM 0 H LEU A 44 5.630 9.713 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 44 7.879 9.806 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.184 7.603 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.787 7.244 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 44 7.079 8.228 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.696 8.339 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.201 9.548 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.334 8.082 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.819 6.215 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.554 5.835 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.203 5.829 0.793 1.00 0.00 H new ATOM 700 N LYS A 45 9.434 8.376 -2.267 1.00 0.00 N ATOM 701 CA LYS A 45 10.376 8.092 -3.323 1.00 0.00 C ATOM 702 C LYS A 45 10.174 6.658 -3.853 1.00 0.00 C ATOM 703 O LYS A 45 10.641 5.669 -3.264 1.00 0.00 O ATOM 704 CB LYS A 45 11.832 8.350 -2.878 1.00 0.00 C ATOM 705 CG LYS A 45 12.246 7.623 -1.607 1.00 0.00 C ATOM 706 CD LYS A 45 13.712 7.851 -1.263 1.00 0.00 C ATOM 707 CE LYS A 45 14.040 9.298 -0.957 1.00 0.00 C ATOM 708 NZ LYS A 45 15.480 9.469 -0.687 1.00 0.00 N ATOM 0 H LYS A 45 9.627 7.902 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 45 10.182 8.781 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.502 8.053 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.968 9.421 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.624 7.961 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.065 6.555 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.975 7.237 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.330 7.514 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.747 9.926 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.463 9.631 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.678 10.469 -0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.752 8.886 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.027 9.173 -1.520 1.00 0.00 H new ATOM 722 N ALA A 46 9.500 6.568 -4.977 1.00 0.00 N ATOM 723 CA ALA A 46 9.148 5.297 -5.593 1.00 0.00 C ATOM 724 C ALA A 46 10.297 4.769 -6.426 1.00 0.00 C ATOM 725 O ALA A 46 10.368 3.581 -6.750 1.00 0.00 O ATOM 726 CB ALA A 46 7.920 5.482 -6.467 1.00 0.00 C ATOM 0 H ALA A 46 9.174 7.381 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 46 8.933 4.573 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.655 4.531 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.088 5.833 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.134 6.216 -7.244 1.00 0.00 H new ATOM 732 N ALA A 47 11.202 5.653 -6.757 1.00 0.00 N ATOM 733 CA ALA A 47 12.351 5.321 -7.571 1.00 0.00 C ATOM 734 C ALA A 47 13.535 4.943 -6.706 1.00 0.00 C ATOM 735 O ALA A 47 14.653 4.795 -7.199 1.00 0.00 O ATOM 736 CB ALA A 47 12.717 6.484 -8.480 1.00 0.00 C ATOM 0 H ALA A 47 11.166 6.631 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 47 12.088 4.463 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.583 6.215 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.876 6.713 -9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.955 7.358 -7.874 1.00 0.00 H new ATOM 742 N ASP A 48 13.308 4.789 -5.422 1.00 0.00 N ATOM 743 CA ASP A 48 14.393 4.418 -4.537 1.00 0.00 C ATOM 744 C ASP A 48 14.000 3.312 -3.612 1.00 0.00 C ATOM 745 O ASP A 48 14.727 2.365 -3.442 1.00 0.00 O ATOM 746 CB ASP A 48 14.867 5.587 -3.698 1.00 0.00 C ATOM 747 CG ASP A 48 16.064 5.213 -2.834 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.210 5.259 -3.328 1.00 0.00 O ATOM 749 OD2 ASP A 48 15.885 4.852 -1.650 1.00 0.00 O ATOM 0 H ASP A 48 12.401 4.911 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 48 15.202 4.085 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.135 6.418 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.052 5.932 -3.061 1.00 0.00 H new ATOM 754 N CYS A 49 12.869 3.429 -3.006 1.00 0.00 N ATOM 755 CA CYS A 49 12.483 2.469 -2.015 1.00 0.00 C ATOM 756 C CYS A 49 11.295 1.647 -2.490 1.00 0.00 C ATOM 757 O CYS A 49 10.766 1.860 -3.593 1.00 0.00 O ATOM 758 CB CYS A 49 12.156 3.193 -0.707 1.00 0.00 C ATOM 759 SG CYS A 49 13.528 4.132 0.013 1.00 0.00 S ATOM 0 H CYS A 49 12.193 4.175 -3.174 1.00 0.00 H new ATOM 0 HA CYS A 49 13.311 1.781 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.323 3.874 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.817 2.458 0.023 1.00 0.00 H new ATOM 0 HG CYS A 49 14.280 4.600 -0.939 1.00 0.00 H new ATOM 765 N ASP A 50 10.904 0.703 -1.687 1.00 0.00 N ATOM 766 CA ASP A 50 9.783 -0.133 -1.979 1.00 0.00 C ATOM 767 C ASP A 50 8.822 -0.029 -0.834 1.00 0.00 C ATOM 768 O ASP A 50 9.183 0.430 0.259 1.00 0.00 O ATOM 769 CB ASP A 50 10.208 -1.590 -2.217 1.00 0.00 C ATOM 770 CG ASP A 50 9.062 -2.479 -2.670 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.406 -2.147 -3.701 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.766 -3.476 -2.003 1.00 0.00 O ATOM 0 H ASP A 50 11.362 0.491 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 50 9.307 0.200 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.997 -1.614 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.631 -1.994 -1.297 1.00 0.00 H new ATOM 777 N LEU A 51 7.639 -0.427 -1.049 1.00 0.00 N ATOM 778 CA LEU A 51 6.652 -0.283 -0.071 1.00 0.00 C ATOM 779 C LEU A 51 6.150 -1.666 0.315 1.00 0.00 C ATOM 780 O LEU A 51 5.509 -2.351 -0.456 1.00 0.00 O ATOM 781 CB LEU A 51 5.564 0.651 -0.621 1.00 0.00 C ATOM 782 CG LEU A 51 4.581 1.212 0.362 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.322 1.944 1.459 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.633 2.165 -0.334 1.00 0.00 C ATOM 0 H LEU A 51 7.325 -0.865 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 51 7.029 0.176 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.056 1.486 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.006 0.108 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 51 4.006 0.393 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.606 2.351 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.991 1.252 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.904 2.757 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.924 2.566 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.200 2.983 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.091 1.633 -1.116 1.00 0.00 H new ATOM 796 N GLN A 52 6.494 -2.074 1.483 1.00 0.00 N ATOM 797 CA GLN A 52 6.168 -3.374 1.965 1.00 0.00 C ATOM 798 C GLN A 52 4.867 -3.307 2.687 1.00 0.00 C ATOM 799 O GLN A 52 4.706 -2.573 3.654 1.00 0.00 O ATOM 800 CB GLN A 52 7.285 -3.893 2.849 1.00 0.00 C ATOM 801 CG GLN A 52 7.076 -5.280 3.441 1.00 0.00 C ATOM 802 CD GLN A 52 6.677 -6.325 2.417 1.00 0.00 C ATOM 803 OE1 GLN A 52 5.507 -6.549 2.182 1.00 0.00 O ATOM 804 NE2 GLN A 52 7.635 -6.950 1.794 1.00 0.00 N ATOM 0 H GLN A 52 7.020 -1.505 2.146 1.00 0.00 H new ATOM 0 HA GLN A 52 6.063 -4.074 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.207 -3.903 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.431 -3.188 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.995 -5.598 3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.306 -5.225 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.609 -6.740 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.412 -7.650 1.086 1.00 0.00 H new ATOM 813 N ILE A 53 3.952 -4.049 2.223 1.00 0.00 N ATOM 814 CA ILE A 53 2.644 -4.006 2.741 1.00 0.00 C ATOM 815 C ILE A 53 2.412 -5.303 3.460 1.00 0.00 C ATOM 816 O ILE A 53 2.691 -6.364 2.937 1.00 0.00 O ATOM 817 CB ILE A 53 1.618 -3.819 1.595 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.011 -2.638 0.689 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.209 -3.626 2.125 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.105 -1.296 1.354 1.00 0.00 C ATOM 0 H ILE A 53 4.086 -4.715 1.462 1.00 0.00 H new ATOM 0 HA ILE A 53 2.522 -3.165 3.424 1.00 0.00 H new ATOM 0 HB ILE A 53 1.631 -4.734 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.975 -2.862 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.283 -2.570 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.480 -3.498 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.084 -4.500 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.177 -2.741 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.388 -0.544 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.139 -1.035 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.856 -1.333 2.143 1.00 0.00 H new ATOM 832 N THR A 54 1.992 -5.223 4.654 1.00 0.00 N ATOM 833 CA THR A 54 1.762 -6.391 5.434 1.00 0.00 C ATOM 834 C THR A 54 0.319 -6.394 5.890 1.00 0.00 C ATOM 835 O THR A 54 -0.216 -5.361 6.184 1.00 0.00 O ATOM 836 CB THR A 54 2.701 -6.364 6.642 1.00 0.00 C ATOM 837 OG1 THR A 54 4.038 -6.122 6.183 1.00 0.00 O ATOM 838 CG2 THR A 54 2.662 -7.670 7.409 1.00 0.00 C ATOM 0 H THR A 54 1.792 -4.345 5.134 1.00 0.00 H new ATOM 0 HA THR A 54 1.954 -7.291 4.850 1.00 0.00 H new ATOM 0 HB THR A 54 2.374 -5.571 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.648 -6.101 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.341 -7.613 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.648 -7.852 7.766 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.968 -8.486 6.754 1.00 0.00 H new ATOM 846 N ASN A 55 -0.312 -7.527 5.881 1.00 0.00 N ATOM 847 CA ASN A 55 -1.679 -7.635 6.349 1.00 0.00 C ATOM 848 C ASN A 55 -1.716 -7.339 7.826 1.00 0.00 C ATOM 849 O ASN A 55 -0.914 -7.882 8.576 1.00 0.00 O ATOM 850 CB ASN A 55 -2.193 -9.026 6.122 1.00 0.00 C ATOM 851 CG ASN A 55 -3.669 -9.101 6.214 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.231 -9.276 7.283 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.296 -8.995 5.121 1.00 0.00 N ATOM 0 H ASN A 55 0.093 -8.404 5.553 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.301 -6.926 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.874 -9.373 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.751 -9.699 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.314 -9.055 5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.784 -8.849 4.251 1.00 0.00 H new ATOM 860 N ALA A 56 -2.627 -6.490 8.252 1.00 0.00 N ATOM 861 CA ALA A 56 -2.704 -6.116 9.659 1.00 0.00 C ATOM 862 C ALA A 56 -3.143 -7.291 10.502 1.00 0.00 C ATOM 863 O ALA A 56 -2.715 -7.453 11.647 1.00 0.00 O ATOM 864 CB ALA A 56 -3.649 -4.939 9.858 1.00 0.00 C ATOM 0 H ALA A 56 -3.323 -6.045 7.653 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.707 -5.813 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.689 -4.679 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.289 -4.083 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.647 -5.211 9.513 1.00 0.00 H new ATOM 870 N GLN A 57 -3.932 -8.136 9.911 1.00 0.00 N ATOM 871 CA GLN A 57 -4.510 -9.238 10.611 1.00 0.00 C ATOM 872 C GLN A 57 -3.652 -10.486 10.522 1.00 0.00 C ATOM 873 O GLN A 57 -3.196 -11.009 11.539 1.00 0.00 O ATOM 874 CB GLN A 57 -5.881 -9.530 10.048 1.00 0.00 C ATOM 875 CG GLN A 57 -6.875 -8.384 10.169 1.00 0.00 C ATOM 876 CD GLN A 57 -6.985 -7.856 11.586 1.00 0.00 C ATOM 877 OE1 GLN A 57 -6.290 -6.922 11.969 1.00 0.00 O ATOM 878 NE2 GLN A 57 -7.822 -8.462 12.373 1.00 0.00 N ATOM 0 H GLN A 57 -4.193 -8.079 8.927 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.582 -8.960 11.662 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.778 -9.794 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.290 -10.403 10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.573 -7.574 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.856 -8.721 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.385 -9.236 12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.917 -8.164 13.344 1.00 0.00 H new ATOM 887 N THR A 58 -3.393 -10.933 9.313 1.00 0.00 N ATOM 888 CA THR A 58 -2.723 -12.193 9.113 1.00 0.00 C ATOM 889 C THR A 58 -1.214 -12.023 9.167 1.00 0.00 C ATOM 890 O THR A 58 -0.478 -12.994 9.293 1.00 0.00 O ATOM 891 CB THR A 58 -3.137 -12.815 7.754 1.00 0.00 C ATOM 892 OG1 THR A 58 -2.647 -12.003 6.695 1.00 0.00 O ATOM 893 CG2 THR A 58 -4.646 -12.844 7.633 1.00 0.00 C ATOM 0 H THR A 58 -3.638 -10.440 8.454 1.00 0.00 H new ATOM 0 HA THR A 58 -3.023 -12.864 9.918 1.00 0.00 H new ATOM 0 HB THR A 58 -2.729 -13.824 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.906 -12.395 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.926 -13.283 6.675 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.064 -13.442 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.036 -11.828 7.694 1.00 0.00 H new ATOM 901 N LYS A 59 -0.769 -10.763 9.070 1.00 0.00 N ATOM 902 CA LYS A 59 0.644 -10.394 9.052 1.00 0.00 C ATOM 903 C LYS A 59 1.348 -10.925 7.812 1.00 0.00 C ATOM 904 O LYS A 59 2.572 -11.004 7.758 1.00 0.00 O ATOM 905 CB LYS A 59 1.369 -10.783 10.345 1.00 0.00 C ATOM 906 CG LYS A 59 0.822 -10.101 11.596 1.00 0.00 C ATOM 907 CD LYS A 59 0.747 -8.589 11.427 1.00 0.00 C ATOM 908 CE LYS A 59 0.506 -7.880 12.752 1.00 0.00 C ATOM 909 NZ LYS A 59 -0.773 -8.271 13.387 1.00 0.00 N ATOM 0 H LYS A 59 -1.396 -9.961 9.001 1.00 0.00 H new ATOM 0 HA LYS A 59 0.684 -9.306 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.303 -11.863 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.426 -10.538 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.171 -10.492 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.458 -10.341 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.675 -8.227 10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.055 -8.341 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.328 -8.103 13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.511 -6.802 12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.862 -7.798 14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.565 -7.989 12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.792 -9.302 13.524 1.00 0.00 H new ATOM 923 N GLU A 60 0.551 -11.224 6.810 1.00 0.00 N ATOM 924 CA GLU A 60 1.006 -11.670 5.513 1.00 0.00 C ATOM 925 C GLU A 60 1.682 -10.511 4.802 1.00 0.00 C ATOM 926 O GLU A 60 1.068 -9.466 4.601 1.00 0.00 O ATOM 927 CB GLU A 60 -0.225 -12.087 4.749 1.00 0.00 C ATOM 928 CG GLU A 60 -0.059 -12.486 3.306 1.00 0.00 C ATOM 929 CD GLU A 60 -1.404 -12.811 2.703 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.315 -11.959 2.744 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.591 -13.940 2.184 1.00 0.00 O ATOM 0 H GLU A 60 -0.465 -11.161 6.879 1.00 0.00 H new ATOM 0 HA GLU A 60 1.716 -12.493 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.678 -12.926 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.938 -11.263 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.413 -11.677 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.600 -13.351 3.233 1.00 0.00 H new ATOM 938 N GLU A 61 2.923 -10.668 4.477 1.00 0.00 N ATOM 939 CA GLU A 61 3.641 -9.671 3.767 1.00 0.00 C ATOM 940 C GLU A 61 3.415 -9.830 2.296 1.00 0.00 C ATOM 941 O GLU A 61 3.382 -10.952 1.766 1.00 0.00 O ATOM 942 CB GLU A 61 5.114 -9.748 4.073 1.00 0.00 C ATOM 943 CG GLU A 61 5.489 -9.159 5.401 1.00 0.00 C ATOM 944 CD GLU A 61 6.955 -9.300 5.709 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.756 -8.422 5.313 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.347 -10.290 6.357 1.00 0.00 O ATOM 0 H GLU A 61 3.468 -11.500 4.700 1.00 0.00 H new ATOM 0 HA GLU A 61 3.276 -8.694 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.427 -10.792 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.666 -9.231 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.220 -8.103 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.909 -9.645 6.186 1.00 0.00 H new ATOM 953 N TYR A 62 3.235 -8.741 1.651 1.00 0.00 N ATOM 954 CA TYR A 62 3.032 -8.725 0.237 1.00 0.00 C ATOM 955 C TYR A 62 4.338 -8.343 -0.430 1.00 0.00 C ATOM 956 O TYR A 62 4.665 -7.173 -0.569 1.00 0.00 O ATOM 957 CB TYR A 62 1.870 -7.779 -0.141 1.00 0.00 C ATOM 958 CG TYR A 62 0.575 -8.148 0.576 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.181 -9.234 0.171 1.00 0.00 C ATOM 960 CD2 TYR A 62 0.142 -7.438 1.693 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.326 -9.595 0.847 1.00 0.00 C ATOM 962 CE2 TYR A 62 -0.996 -7.805 2.380 1.00 0.00 C ATOM 963 CZ TYR A 62 -1.725 -8.881 1.951 1.00 0.00 C ATOM 964 OH TYR A 62 -2.847 -9.273 2.645 1.00 0.00 O ATOM 0 H TYR A 62 3.223 -7.819 2.087 1.00 0.00 H new ATOM 0 HA TYR A 62 2.740 -9.714 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.142 -6.753 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.710 -7.814 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.132 -9.808 -0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.709 -6.582 2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.910 -10.439 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.310 -7.247 3.250 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.868 -10.251 2.708 1.00 0.00 H new ATOM 974 N THR A 63 5.118 -9.347 -0.739 1.00 0.00 N ATOM 975 CA THR A 63 6.430 -9.168 -1.298 1.00 0.00 C ATOM 976 C THR A 63 6.411 -8.937 -2.815 1.00 0.00 C ATOM 977 O THR A 63 7.167 -8.114 -3.331 1.00 0.00 O ATOM 978 CB THR A 63 7.297 -10.382 -0.935 1.00 0.00 C ATOM 979 OG1 THR A 63 6.526 -11.584 -1.151 1.00 0.00 O ATOM 980 CG2 THR A 63 7.732 -10.319 0.528 1.00 0.00 C ATOM 0 H THR A 63 4.855 -10.324 -0.607 1.00 0.00 H new ATOM 0 HA THR A 63 6.857 -8.262 -0.868 1.00 0.00 H new ATOM 0 HB THR A 63 8.189 -10.382 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.070 -12.367 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.345 -11.189 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.311 -9.411 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.851 -10.312 1.170 1.00 0.00 H new ATOM 988 N ASP A 64 5.545 -9.658 -3.518 1.00 0.00 N ATOM 989 CA ASP A 64 5.447 -9.519 -4.971 1.00 0.00 C ATOM 990 C ASP A 64 4.538 -8.406 -5.335 1.00 0.00 C ATOM 991 O ASP A 64 3.456 -8.294 -4.781 1.00 0.00 O ATOM 992 CB ASP A 64 4.952 -10.793 -5.656 1.00 0.00 C ATOM 993 CG ASP A 64 5.998 -11.874 -5.749 1.00 0.00 C ATOM 994 OD1 ASP A 64 6.803 -11.869 -6.717 1.00 0.00 O ATOM 995 OD2 ASP A 64 6.029 -12.773 -4.879 1.00 0.00 O ATOM 0 H ASP A 64 4.904 -10.340 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 64 6.459 -9.313 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.091 -11.178 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.607 -10.545 -6.660 1.00 0.00 H new ATOM 1000 N ASP A 65 4.922 -7.629 -6.337 1.00 0.00 N ATOM 1001 CA ASP A 65 4.146 -6.452 -6.775 1.00 0.00 C ATOM 1002 C ASP A 65 2.811 -6.864 -7.372 1.00 0.00 C ATOM 1003 O ASP A 65 1.915 -6.037 -7.571 1.00 0.00 O ATOM 1004 CB ASP A 65 4.894 -5.573 -7.807 1.00 0.00 C ATOM 1005 CG ASP A 65 6.251 -5.035 -7.369 1.00 0.00 C ATOM 1006 OD1 ASP A 65 7.260 -5.733 -7.511 1.00 0.00 O ATOM 1007 OD2 ASP A 65 6.329 -3.879 -6.898 1.00 0.00 O ATOM 0 H ASP A 65 5.775 -7.786 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 65 3.992 -5.860 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.033 -6.156 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.256 -4.727 -8.064 1.00 0.00 H new ATOM 1012 N ASN A 66 2.681 -8.130 -7.629 1.00 0.00 N ATOM 1013 CA ASN A 66 1.500 -8.675 -8.239 1.00 0.00 C ATOM 1014 C ASN A 66 0.500 -9.154 -7.189 1.00 0.00 C ATOM 1015 O ASN A 66 -0.567 -9.667 -7.530 1.00 0.00 O ATOM 1016 CB ASN A 66 1.882 -9.800 -9.192 1.00 0.00 C ATOM 1017 CG ASN A 66 2.322 -11.067 -8.530 1.00 0.00 C ATOM 1018 OD1 ASN A 66 3.585 -11.156 -8.298 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 1.526 -11.962 -8.235 1.00 0.00 N flip ATOM 0 H ASN A 66 3.399 -8.824 -7.420 1.00 0.00 H new ATOM 0 HA ASN A 66 1.010 -7.886 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.027 -10.020 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.684 -9.449 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.533 -11.848 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.861 -12.816 -7.788 1.00 0.00 H new ATOM 1026 N ALA A 67 0.845 -8.984 -5.915 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.060 -9.321 -4.826 1.00 0.00 C ATOM 1028 C ALA A 67 -1.220 -8.344 -4.834 1.00 0.00 C ATOM 1029 O ALA A 67 -1.073 -7.251 -5.314 1.00 0.00 O ATOM 1030 CB ALA A 67 0.662 -9.281 -3.492 1.00 0.00 C ATOM 0 H ALA A 67 1.747 -8.614 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.434 -10.335 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.035 -9.536 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.483 -9.998 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.057 -8.280 -3.322 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.356 -8.745 -4.374 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.520 -7.884 -4.404 1.00 0.00 C ATOM 1038 C LEU A 68 -4.039 -7.602 -2.999 1.00 0.00 C ATOM 1039 O LEU A 68 -4.045 -8.499 -2.147 1.00 0.00 O ATOM 1040 CB LEU A 68 -4.595 -8.501 -5.298 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.255 -9.770 -4.775 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -6.518 -9.425 -4.046 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.500 -10.775 -5.883 1.00 0.00 C ATOM 0 H LEU A 68 -2.518 -9.666 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.236 -6.921 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.372 -7.755 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.150 -8.721 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.573 -10.248 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.985 -10.337 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.286 -8.769 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.203 -8.918 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.972 -11.666 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.154 -10.335 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.550 -11.048 -6.343 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.415 -6.378 -2.726 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.014 -6.069 -1.446 1.00 0.00 C ATOM 1057 C ILE A 69 -6.472 -5.629 -1.643 1.00 0.00 C ATOM 1058 O ILE A 69 -6.748 -4.643 -2.332 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.247 -4.985 -0.600 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -2.800 -5.406 -0.275 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -4.999 -4.676 0.696 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -1.804 -5.217 -1.400 1.00 0.00 C ATOM 0 H ILE A 69 -4.320 -5.586 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.956 -6.992 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.200 -4.087 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.459 -4.837 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.801 -6.457 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.451 -3.925 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.993 -4.297 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.090 -5.586 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.817 -5.542 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.112 -5.809 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.765 -4.164 -1.678 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.420 -6.403 -1.114 1.00 0.00 N ATOM 1075 CA PRO A 70 -8.835 -6.055 -1.147 1.00 0.00 C ATOM 1076 C PRO A 70 -9.216 -4.973 -0.149 1.00 0.00 C ATOM 1077 O PRO A 70 -8.607 -4.836 0.911 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.536 -7.356 -0.796 1.00 0.00 C ATOM 1079 CG PRO A 70 -8.534 -8.139 -0.013 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.182 -7.710 -0.484 1.00 0.00 C ATOM 0 HA PRO A 70 -9.111 -5.645 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.437 -7.173 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.842 -7.893 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.648 -7.953 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.675 -9.209 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.478 -7.631 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.762 -8.424 -1.193 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.280 -4.246 -0.476 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.800 -3.154 0.364 1.00 0.00 C ATOM 1090 C LYS A 71 -11.292 -3.669 1.710 1.00 0.00 C ATOM 1091 O LYS A 71 -11.412 -2.927 2.674 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.949 -2.414 -0.345 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.152 -3.293 -0.682 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.347 -2.470 -1.141 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.641 -3.286 -1.186 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.112 -3.672 0.171 1.00 0.00 N ATOM 0 H LYS A 71 -10.813 -4.392 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.974 -2.463 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.281 -1.592 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.567 -1.973 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.877 -4.000 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.430 -3.879 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.480 -1.622 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.144 -2.063 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.417 -2.706 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.481 -4.185 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.094 -4.009 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.507 -4.430 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.065 -2.847 0.803 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.527 -4.943 1.772 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.088 -5.570 2.952 1.00 0.00 C ATOM 1112 C ASN A 72 -10.995 -5.919 3.943 1.00 0.00 C ATOM 1113 O ASN A 72 -11.272 -6.372 5.047 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.851 -6.839 2.558 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.938 -6.584 1.529 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.534 -5.507 1.474 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.190 -7.549 0.690 1.00 0.00 N ATOM 0 H ASN A 72 -11.338 -5.590 1.007 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.775 -4.866 3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.147 -7.571 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.299 -7.278 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.896 -7.423 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.681 -8.430 0.759 1.00 0.00 H new ATOM 1124 N SER A 73 -9.761 -5.706 3.555 1.00 0.00 N ATOM 1125 CA SER A 73 -8.650 -6.038 4.392 1.00 0.00 C ATOM 1126 C SER A 73 -7.858 -4.795 4.774 1.00 0.00 C ATOM 1127 O SER A 73 -7.695 -3.876 3.969 1.00 0.00 O ATOM 1128 CB SER A 73 -7.778 -7.068 3.683 1.00 0.00 C ATOM 1129 OG SER A 73 -8.558 -8.225 3.360 1.00 0.00 O ATOM 0 H SER A 73 -9.507 -5.300 2.655 1.00 0.00 H new ATOM 0 HA SER A 73 -9.017 -6.472 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.356 -6.637 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.940 -7.350 4.321 1.00 0.00 H new ATOM 0 HG SER A 73 -7.993 -8.883 2.903 1.00 0.00 H new ATOM 1135 N SER A 74 -7.439 -4.741 6.008 1.00 0.00 N ATOM 1136 CA SER A 74 -6.641 -3.661 6.488 1.00 0.00 C ATOM 1137 C SER A 74 -5.184 -4.099 6.418 1.00 0.00 C ATOM 1138 O SER A 74 -4.848 -5.248 6.775 1.00 0.00 O ATOM 1139 CB SER A 74 -7.030 -3.333 7.928 1.00 0.00 C ATOM 1140 OG SER A 74 -6.425 -2.143 8.364 1.00 0.00 O ATOM 0 H SER A 74 -7.646 -5.453 6.709 1.00 0.00 H new ATOM 0 HA SER A 74 -6.794 -2.767 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.114 -3.240 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.735 -4.154 8.582 1.00 0.00 H new ATOM 0 HG SER A 74 -6.206 -1.585 7.589 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.332 -3.235 5.942 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.941 -3.561 5.789 1.00 0.00 C ATOM 1148 C VAL A 75 -2.037 -2.503 6.432 1.00 0.00 C ATOM 1149 O VAL A 75 -2.445 -1.360 6.650 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.545 -3.792 4.293 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.153 -5.081 3.766 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.990 -2.637 3.410 1.00 0.00 C ATOM 0 H VAL A 75 -4.580 -2.290 5.650 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.788 -4.503 6.316 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.458 -3.860 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.864 -5.220 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.793 -5.922 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.239 -5.027 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.697 -2.834 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.074 -2.533 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.519 -1.715 3.751 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.849 -2.909 6.757 1.00 0.00 N ATOM 1163 CA ILE A 76 0.158 -2.068 7.344 1.00 0.00 C ATOM 1164 C ILE A 76 1.111 -1.717 6.234 1.00 0.00 C ATOM 1165 O ILE A 76 1.520 -2.594 5.462 1.00 0.00 O ATOM 1166 CB ILE A 76 0.943 -2.816 8.467 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.023 -3.496 9.450 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.865 -1.856 9.222 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.990 -2.548 10.121 1.00 0.00 C ATOM 0 H ILE A 76 -0.538 -3.870 6.617 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.303 -1.189 7.795 1.00 0.00 H new ATOM 0 HB ILE A 76 1.554 -3.582 7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.590 -4.259 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.558 -4.009 10.217 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.401 -2.401 9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.581 -1.417 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.271 -1.064 9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.636 -3.106 10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.433 -1.799 10.685 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.599 -2.053 9.364 1.00 0.00 H new ATOM 1181 N VAL A 77 1.437 -0.477 6.126 1.00 0.00 N ATOM 1182 CA VAL A 77 2.259 -0.008 5.054 1.00 0.00 C ATOM 1183 C VAL A 77 3.627 0.403 5.583 1.00 0.00 C ATOM 1184 O VAL A 77 3.776 1.429 6.262 1.00 0.00 O ATOM 1185 CB VAL A 77 1.567 1.164 4.343 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.372 1.652 3.182 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.195 0.746 3.887 1.00 0.00 C ATOM 0 H VAL A 77 1.142 0.248 6.780 1.00 0.00 H new ATOM 0 HA VAL A 77 2.404 -0.811 4.332 1.00 0.00 H new ATOM 0 HB VAL A 77 1.478 1.986 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.853 2.482 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.348 1.989 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.503 0.842 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.291 1.581 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.281 -0.093 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.400 0.447 4.750 1.00 0.00 H new ATOM 1197 N ARG A 78 4.592 -0.405 5.284 1.00 0.00 N ATOM 1198 CA ARG A 78 5.944 -0.241 5.740 1.00 0.00 C ATOM 1199 C ARG A 78 6.852 0.142 4.572 1.00 0.00 C ATOM 1200 O ARG A 78 6.916 -0.552 3.586 1.00 0.00 O ATOM 1201 CB ARG A 78 6.417 -1.573 6.356 1.00 0.00 C ATOM 1202 CG ARG A 78 7.879 -1.602 6.788 1.00 0.00 C ATOM 1203 CD ARG A 78 8.145 -0.656 7.937 1.00 0.00 C ATOM 1204 NE ARG A 78 9.564 -0.620 8.306 1.00 0.00 N ATOM 1205 CZ ARG A 78 10.026 -0.433 9.547 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.184 -0.403 10.577 1.00 0.00 N ATOM 1207 NH2 ARG A 78 11.336 -0.318 9.750 1.00 0.00 N ATOM 0 H ARG A 78 4.461 -1.228 4.695 1.00 0.00 H new ATOM 0 HA ARG A 78 5.988 0.553 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.794 -1.797 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.253 -2.370 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.151 -2.616 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.513 -1.334 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.817 0.347 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.554 -0.961 8.801 1.00 0.00 H new ATOM 0 HE ARG A 78 10.249 -0.747 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.183 -0.523 10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.539 -0.260 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.981 -0.373 8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.695 -0.175 10.694 1.00 0.00 H new ATOM 1221 N ARG A 79 7.541 1.239 4.679 1.00 0.00 N ATOM 1222 CA ARG A 79 8.478 1.621 3.629 1.00 0.00 C ATOM 1223 C ARG A 79 9.784 0.859 3.834 1.00 0.00 C ATOM 1224 O ARG A 79 10.380 0.943 4.909 1.00 0.00 O ATOM 1225 CB ARG A 79 8.741 3.128 3.655 1.00 0.00 C ATOM 1226 CG ARG A 79 9.694 3.608 2.566 1.00 0.00 C ATOM 1227 CD ARG A 79 10.041 5.076 2.741 1.00 0.00 C ATOM 1228 NE ARG A 79 10.740 5.326 4.013 1.00 0.00 N ATOM 1229 CZ ARG A 79 11.026 6.536 4.515 1.00 0.00 C ATOM 1230 NH1 ARG A 79 10.671 7.642 3.864 1.00 0.00 N ATOM 1231 NH2 ARG A 79 11.682 6.631 5.659 1.00 0.00 N ATOM 0 H ARG A 79 7.484 1.886 5.465 1.00 0.00 H new ATOM 0 HA ARG A 79 8.049 1.372 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.792 3.654 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.151 3.399 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.606 3.012 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.238 3.454 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.668 5.402 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.129 5.672 2.704 1.00 0.00 H new ATOM 0 HE ARG A 79 11.030 4.513 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.177 7.574 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.894 8.557 4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.968 5.787 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.902 7.549 6.046 1.00 0.00 H new ATOM 1245 N ILE A 80 10.211 0.105 2.838 1.00 0.00 N ATOM 1246 CA ILE A 80 11.439 -0.670 2.944 1.00 0.00 C ATOM 1247 C ILE A 80 12.389 -0.348 1.780 1.00 0.00 C ATOM 1248 O ILE A 80 11.960 0.152 0.749 1.00 0.00 O ATOM 1249 CB ILE A 80 11.161 -2.232 3.054 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.416 -2.818 1.851 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.418 -2.590 4.319 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.299 -3.200 0.696 1.00 0.00 C ATOM 0 H ILE A 80 9.727 0.011 1.945 1.00 0.00 H new ATOM 0 HA ILE A 80 11.927 -0.377 3.873 1.00 0.00 H new ATOM 0 HB ILE A 80 12.154 -2.680 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.863 -3.699 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.681 -2.091 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.251 -3.667 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.008 -2.289 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.459 -2.073 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.688 -3.605 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.833 -2.319 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.017 -3.953 1.021 1.00 0.00 H new ATOM 1264 N PRO A 81 13.686 -0.571 1.943 1.00 0.00 N ATOM 1265 CA PRO A 81 14.658 -0.380 0.861 1.00 0.00 C ATOM 1266 C PRO A 81 14.537 -1.498 -0.200 1.00 0.00 C ATOM 1267 O PRO A 81 14.424 -2.675 0.144 1.00 0.00 O ATOM 1268 CB PRO A 81 16.000 -0.487 1.591 1.00 0.00 C ATOM 1269 CG PRO A 81 15.707 -1.358 2.759 1.00 0.00 C ATOM 1270 CD PRO A 81 14.335 -0.989 3.202 1.00 0.00 C ATOM 0 HA PRO A 81 14.520 0.559 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.768 -0.922 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.363 0.492 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.760 -2.412 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.432 -1.200 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.819 -1.831 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.350 -0.184 3.936 1.00 0.00 H new