USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 13 TYR OH : rot -26:sc= 0.315 USER MOD Set 1.2: A 34 THR OG1 : rot 66:sc= 1.6 USER MOD Single : A 1 LYS N :NH3+ 146:sc= 0.0426 (180deg=-0.0163) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 169:sc= 0.93 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 0.959 (180deg=0.576) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0508) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0.298 (180deg=0.219) USER MOD Single : A 21 ASN : amide:sc= 1.48 K(o=1.5,f=-0.0012) USER MOD Single : A 22 GLN : amide:sc= 0.663 K(o=0.66,f=-0.29) USER MOD Single : A 24 SER OG : rot 59:sc= 1.11 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.377 (180deg=0.347) USER MOD Single : A 33 GLN : amide:sc= 0.217 X(o=0.22,f=-0.0065) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 170:sc=-0.00833 (180deg=-0.15) USER MOD Single : A 44 SER OG : rot 101:sc= 0.102 USER MOD Single : A 45 THR OG1 : rot 87:sc= 1.02 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.075) USER MOD Single : A 62 SER OG : rot 180:sc= 0.451 USER MOD Single : A 67 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.12) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.058) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0.52 (180deg=0.366) USER MOD Single : A 74 SER OG : rot 58:sc= 0.908 USER MOD Single : A 75 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.301 3.054 -1.818 1.00 0.00 N ATOM 2 CA LYS A 1 2.521 1.915 -1.294 1.00 0.00 C ATOM 3 C LYS A 1 2.697 0.671 -2.166 1.00 0.00 C ATOM 4 O LYS A 1 3.266 0.759 -3.256 1.00 0.00 O ATOM 5 CB LYS A 1 1.049 2.298 -1.069 1.00 0.00 C ATOM 6 CG LYS A 1 0.383 2.894 -2.315 1.00 0.00 C ATOM 7 CD LYS A 1 -1.111 3.136 -2.068 1.00 0.00 C ATOM 8 CE LYS A 1 -1.756 3.773 -3.304 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.197 4.001 -3.099 1.00 0.00 N ATOM 0 H1 LYS A 1 2.787 3.940 -1.636 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.227 3.087 -1.345 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.439 2.938 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 1 2.917 1.654 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.494 1.414 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.988 3.018 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.870 3.833 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.512 2.219 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.606 2.193 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.243 3.787 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.264 4.720 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.607 3.126 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.605 4.433 -3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.669 3.093 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.336 4.638 -2.289 1.00 0.00 H new ATOM 25 N SER A 2 2.211 -0.483 -1.694 1.00 0.00 N ATOM 26 CA SER A 2 2.307 -1.746 -2.406 1.00 0.00 C ATOM 27 C SER A 2 1.912 -1.594 -3.877 1.00 0.00 C ATOM 28 O SER A 2 2.738 -1.914 -4.724 1.00 0.00 O ATOM 29 CB SER A 2 1.530 -2.843 -1.667 1.00 0.00 C ATOM 30 OG SER A 2 0.636 -2.287 -0.719 1.00 0.00 O ATOM 0 H SER A 2 1.735 -0.558 -0.795 1.00 0.00 H new ATOM 0 HA SER A 2 3.349 -2.064 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.974 -3.445 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.229 -3.511 -1.164 1.00 0.00 H new ATOM 0 HG SER A 2 0.028 -2.984 -0.395 1.00 0.00 H new ATOM 36 N PRO A 3 0.723 -1.066 -4.216 1.00 0.00 N ATOM 37 CA PRO A 3 0.374 -0.709 -5.584 1.00 0.00 C ATOM 38 C PRO A 3 1.504 -0.047 -6.379 1.00 0.00 C ATOM 39 O PRO A 3 1.737 -0.430 -7.522 1.00 0.00 O ATOM 40 CB PRO A 3 -0.850 0.198 -5.466 1.00 0.00 C ATOM 41 CG PRO A 3 -1.559 -0.377 -4.241 1.00 0.00 C ATOM 42 CD PRO A 3 -0.403 -0.799 -3.331 1.00 0.00 C ATOM 0 HA PRO A 3 0.170 -1.612 -6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.571 1.242 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.476 0.155 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.198 0.364 -3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.194 -1.223 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.161 -0.012 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.664 -1.685 -2.753 1.00 0.00 H new ATOM 50 N GLU A 4 2.218 0.926 -5.800 1.00 0.00 N ATOM 51 CA GLU A 4 3.258 1.633 -6.535 1.00 0.00 C ATOM 52 C GLU A 4 4.472 0.728 -6.738 1.00 0.00 C ATOM 53 O GLU A 4 5.049 0.688 -7.824 1.00 0.00 O ATOM 54 CB GLU A 4 3.645 2.937 -5.822 1.00 0.00 C ATOM 55 CG GLU A 4 2.430 3.803 -5.460 1.00 0.00 C ATOM 56 CD GLU A 4 1.470 4.008 -6.628 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.941 4.509 -7.673 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.283 3.655 -6.452 1.00 0.00 O ATOM 0 H GLU A 4 2.092 1.235 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 4 2.867 1.901 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.198 2.698 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.316 3.510 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.893 3.337 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.776 4.775 -5.108 1.00 0.00 H new ATOM 65 N GLU A 5 4.855 -0.015 -5.696 1.00 0.00 N ATOM 66 CA GLU A 5 5.937 -0.983 -5.806 1.00 0.00 C ATOM 67 C GLU A 5 5.609 -1.986 -6.919 1.00 0.00 C ATOM 68 O GLU A 5 6.403 -2.209 -7.828 1.00 0.00 O ATOM 69 CB GLU A 5 6.156 -1.667 -4.447 1.00 0.00 C ATOM 70 CG GLU A 5 7.324 -2.665 -4.460 1.00 0.00 C ATOM 71 CD GLU A 5 8.653 -2.000 -4.810 1.00 0.00 C ATOM 72 OE1 GLU A 5 9.096 -1.162 -3.996 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.193 -2.334 -5.886 1.00 0.00 O ATOM 0 H GLU A 5 4.430 0.039 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 5 6.869 -0.486 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.344 -0.906 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.243 -2.188 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.404 -3.139 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.115 -3.455 -5.181 1.00 0.00 H new ATOM 80 N LEU A 6 4.414 -2.571 -6.850 1.00 0.00 N ATOM 81 CA LEU A 6 3.931 -3.552 -7.807 1.00 0.00 C ATOM 82 C LEU A 6 3.891 -2.949 -9.207 1.00 0.00 C ATOM 83 O LEU A 6 4.270 -3.621 -10.160 1.00 0.00 O ATOM 84 CB LEU A 6 2.552 -4.077 -7.394 1.00 0.00 C ATOM 85 CG LEU A 6 2.564 -4.769 -6.020 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.146 -4.798 -5.452 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.094 -6.197 -6.136 1.00 0.00 C ATOM 0 H LEU A 6 3.743 -2.368 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 6 4.620 -4.397 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.844 -3.248 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.196 -4.780 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 6 3.220 -4.208 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.154 -5.288 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.777 -3.778 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.494 -5.348 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.093 -6.666 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.456 -6.768 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.111 -6.177 -6.528 1.00 0.00 H new ATOM 99 N LYS A 7 3.451 -1.695 -9.345 1.00 0.00 N ATOM 100 CA LYS A 7 3.509 -0.977 -10.610 1.00 0.00 C ATOM 101 C LYS A 7 4.947 -0.934 -11.122 1.00 0.00 C ATOM 102 O LYS A 7 5.201 -1.310 -12.263 1.00 0.00 O ATOM 103 CB LYS A 7 2.914 0.426 -10.440 1.00 0.00 C ATOM 104 CG LYS A 7 2.674 1.151 -11.771 1.00 0.00 C ATOM 105 CD LYS A 7 1.938 2.468 -11.488 1.00 0.00 C ATOM 106 CE LYS A 7 1.548 3.208 -12.772 1.00 0.00 C ATOM 107 NZ LYS A 7 2.725 3.705 -13.504 1.00 0.00 N ATOM 0 H LYS A 7 3.046 -1.154 -8.581 1.00 0.00 H new ATOM 0 HA LYS A 7 2.913 -1.499 -11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.970 0.349 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.585 1.025 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.623 1.348 -12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.085 0.525 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.041 2.261 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.573 3.112 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.977 2.539 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.896 4.045 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.459 4.540 -14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.470 3.965 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.078 2.961 -14.139 1.00 0.00 H new ATOM 121 N GLY A 8 5.894 -0.506 -10.285 1.00 0.00 N ATOM 122 CA GLY A 8 7.304 -0.475 -10.644 1.00 0.00 C ATOM 123 C GLY A 8 7.779 -1.840 -11.143 1.00 0.00 C ATOM 124 O GLY A 8 8.274 -1.956 -12.264 1.00 0.00 O ATOM 0 H GLY A 8 5.700 -0.172 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.468 0.275 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.896 -0.175 -9.779 1.00 0.00 H new ATOM 128 N ILE A 9 7.608 -2.876 -10.316 1.00 0.00 N ATOM 129 CA ILE A 9 7.958 -4.256 -10.652 1.00 0.00 C ATOM 130 C ILE A 9 7.357 -4.613 -12.016 1.00 0.00 C ATOM 131 O ILE A 9 8.070 -4.986 -12.948 1.00 0.00 O ATOM 132 CB ILE A 9 7.453 -5.199 -9.538 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.241 -5.010 -8.229 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.513 -6.672 -9.939 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.686 -5.884 -7.098 1.00 0.00 C ATOM 0 H ILE A 9 7.216 -2.776 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 9 9.040 -4.369 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 9 6.410 -4.925 -9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.289 -5.256 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.204 -3.962 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.146 -7.288 -9.118 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.892 -6.835 -10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.543 -6.946 -10.165 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.270 -5.721 -6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.645 -5.620 -6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.748 -6.934 -7.385 1.00 0.00 H new ATOM 147 N PHE A 10 6.032 -4.503 -12.111 1.00 0.00 N ATOM 148 CA PHE A 10 5.245 -4.794 -13.296 1.00 0.00 C ATOM 149 C PHE A 10 5.870 -4.132 -14.528 1.00 0.00 C ATOM 150 O PHE A 10 6.184 -4.816 -15.500 1.00 0.00 O ATOM 151 CB PHE A 10 3.797 -4.349 -13.041 1.00 0.00 C ATOM 152 CG PHE A 10 2.922 -4.327 -14.269 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.891 -3.177 -15.072 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.215 -5.474 -14.663 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.265 -3.213 -16.322 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.554 -5.497 -15.900 1.00 0.00 C ATOM 157 CZ PHE A 10 1.639 -4.392 -16.755 1.00 0.00 C ATOM 0 H PHE A 10 5.458 -4.195 -11.326 1.00 0.00 H new ATOM 0 HA PHE A 10 5.236 -5.864 -13.502 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.350 -5.016 -12.304 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.809 -3.352 -12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.351 -2.264 -14.725 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.180 -6.337 -14.015 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.263 -2.336 -16.952 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.981 -6.365 -16.192 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.222 -4.447 -17.750 1.00 0.00 H new ATOM 167 N GLU A 11 6.075 -2.814 -14.482 1.00 0.00 N ATOM 168 CA GLU A 11 6.664 -2.063 -15.578 1.00 0.00 C ATOM 169 C GLU A 11 8.061 -2.584 -15.933 1.00 0.00 C ATOM 170 O GLU A 11 8.370 -2.757 -17.111 1.00 0.00 O ATOM 171 CB GLU A 11 6.691 -0.566 -15.245 1.00 0.00 C ATOM 172 CG GLU A 11 5.264 -0.001 -15.247 1.00 0.00 C ATOM 173 CD GLU A 11 5.203 1.502 -15.009 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.184 2.048 -14.459 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.151 2.078 -15.367 1.00 0.00 O ATOM 0 H GLU A 11 5.833 -2.239 -13.675 1.00 0.00 H new ATOM 0 HA GLU A 11 6.039 -2.205 -16.460 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.151 -0.411 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.302 -0.034 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.794 -0.228 -16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.681 -0.506 -14.477 1.00 0.00 H new ATOM 182 N LYS A 12 8.913 -2.827 -14.931 1.00 0.00 N ATOM 183 CA LYS A 12 10.257 -3.342 -15.172 1.00 0.00 C ATOM 184 C LYS A 12 10.202 -4.685 -15.906 1.00 0.00 C ATOM 185 O LYS A 12 10.891 -4.865 -16.909 1.00 0.00 O ATOM 186 CB LYS A 12 11.043 -3.449 -13.856 1.00 0.00 C ATOM 187 CG LYS A 12 11.368 -2.079 -13.243 1.00 0.00 C ATOM 188 CD LYS A 12 12.497 -1.355 -13.993 1.00 0.00 C ATOM 189 CE LYS A 12 12.907 -0.063 -13.275 1.00 0.00 C ATOM 190 NZ LYS A 12 11.800 0.909 -13.214 1.00 0.00 N ATOM 0 H LYS A 12 8.692 -2.674 -13.947 1.00 0.00 H new ATOM 0 HA LYS A 12 10.785 -2.638 -15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.466 -4.034 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.972 -3.991 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.472 -1.458 -13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.654 -2.210 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.360 -2.015 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.171 -1.122 -15.007 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.238 -0.299 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.756 0.386 -13.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.150 1.810 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.422 1.065 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.047 0.539 -12.600 1.00 0.00 H new ATOM 204 N TYR A 13 9.387 -5.628 -15.429 1.00 0.00 N ATOM 205 CA TYR A 13 9.186 -6.894 -16.124 1.00 0.00 C ATOM 206 C TYR A 13 8.661 -6.669 -17.541 1.00 0.00 C ATOM 207 O TYR A 13 9.267 -7.121 -18.507 1.00 0.00 O ATOM 208 CB TYR A 13 8.262 -7.796 -15.309 1.00 0.00 C ATOM 209 CG TYR A 13 9.009 -8.573 -14.249 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.743 -9.713 -14.620 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.928 -8.207 -12.897 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.393 -10.479 -13.640 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.624 -8.942 -11.925 1.00 0.00 C ATOM 214 CZ TYR A 13 10.342 -10.092 -12.292 1.00 0.00 C ATOM 215 OH TYR A 13 10.886 -10.878 -11.324 1.00 0.00 O ATOM 0 H TYR A 13 8.856 -5.535 -14.563 1.00 0.00 H new ATOM 0 HA TYR A 13 10.148 -7.398 -16.222 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.490 -7.189 -14.836 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.755 -8.492 -15.977 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.807 -9.999 -15.659 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.329 -7.358 -12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.934 -11.369 -13.924 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.608 -8.623 -10.893 1.00 0.00 H new ATOM 0 HH TYR A 13 10.894 -11.810 -11.626 1.00 0.00 H new ATOM 225 N ALA A 14 7.536 -5.971 -17.665 1.00 0.00 N ATOM 226 CA ALA A 14 6.920 -5.611 -18.933 1.00 0.00 C ATOM 227 C ALA A 14 7.940 -5.107 -19.957 1.00 0.00 C ATOM 228 O ALA A 14 8.012 -5.615 -21.074 1.00 0.00 O ATOM 229 CB ALA A 14 5.851 -4.558 -18.666 1.00 0.00 C ATOM 0 H ALA A 14 7.013 -5.631 -16.858 1.00 0.00 H new ATOM 0 HA ALA A 14 6.471 -6.504 -19.369 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.377 -4.275 -19.606 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.100 -4.965 -17.989 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.311 -3.680 -18.212 1.00 0.00 H new ATOM 235 N ALA A 15 8.764 -4.133 -19.569 1.00 0.00 N ATOM 236 CA ALA A 15 9.819 -3.592 -20.418 1.00 0.00 C ATOM 237 C ALA A 15 10.693 -4.678 -21.065 1.00 0.00 C ATOM 238 O ALA A 15 11.180 -4.483 -22.178 1.00 0.00 O ATOM 239 CB ALA A 15 10.673 -2.607 -19.618 1.00 0.00 C ATOM 0 H ALA A 15 8.715 -3.696 -18.649 1.00 0.00 H new ATOM 0 HA ALA A 15 9.333 -3.070 -21.242 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.460 -2.206 -20.257 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.046 -1.791 -19.258 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.122 -3.121 -18.769 1.00 0.00 H new ATOM 245 N LYS A 16 10.890 -5.830 -20.411 1.00 0.00 N ATOM 246 CA LYS A 16 11.671 -6.921 -20.985 1.00 0.00 C ATOM 247 C LYS A 16 11.049 -7.423 -22.293 1.00 0.00 C ATOM 248 O LYS A 16 11.784 -7.798 -23.203 1.00 0.00 O ATOM 249 CB LYS A 16 11.848 -8.068 -19.980 1.00 0.00 C ATOM 250 CG LYS A 16 12.511 -7.602 -18.677 1.00 0.00 C ATOM 251 CD LYS A 16 12.589 -8.764 -17.682 1.00 0.00 C ATOM 252 CE LYS A 16 13.207 -8.296 -16.361 1.00 0.00 C ATOM 253 NZ LYS A 16 13.242 -9.386 -15.371 1.00 0.00 N ATOM 0 H LYS A 16 10.516 -6.026 -19.482 1.00 0.00 H new ATOM 0 HA LYS A 16 12.661 -6.529 -21.218 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.875 -8.504 -19.754 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.453 -8.854 -20.432 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.512 -7.223 -18.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.942 -6.780 -18.244 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.591 -9.165 -17.502 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.186 -9.573 -18.104 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.219 -7.931 -16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.632 -7.460 -15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.855 -9.113 -14.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.280 -9.567 -15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.616 -10.248 -15.817 1.00 0.00 H new ATOM 267 N GLU A 17 9.714 -7.392 -22.420 1.00 0.00 N ATOM 268 CA GLU A 17 9.032 -7.676 -23.679 1.00 0.00 C ATOM 269 C GLU A 17 8.745 -6.382 -24.454 1.00 0.00 C ATOM 270 O GLU A 17 7.763 -6.296 -25.191 1.00 0.00 O ATOM 271 CB GLU A 17 7.775 -8.534 -23.447 1.00 0.00 C ATOM 272 CG GLU A 17 6.727 -7.897 -22.524 1.00 0.00 C ATOM 273 CD GLU A 17 5.421 -8.683 -22.551 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.455 -9.847 -22.094 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.410 -8.127 -23.031 1.00 0.00 O ATOM 0 H GLU A 17 9.083 -7.169 -21.650 1.00 0.00 H new ATOM 0 HA GLU A 17 9.695 -8.270 -24.308 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.311 -8.744 -24.411 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.078 -9.492 -23.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.111 -7.859 -21.505 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.542 -6.868 -22.834 1.00 0.00 H new ATOM 282 N GLY A 18 9.605 -5.369 -24.315 1.00 0.00 N ATOM 283 CA GLY A 18 9.514 -4.131 -25.068 1.00 0.00 C ATOM 284 C GLY A 18 8.423 -3.225 -24.506 1.00 0.00 C ATOM 285 O GLY A 18 8.726 -2.165 -23.968 1.00 0.00 O ATOM 0 H GLY A 18 10.391 -5.394 -23.666 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.472 -3.613 -25.039 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.304 -4.353 -26.114 1.00 0.00 H new ATOM 289 N ASP A 19 7.159 -3.635 -24.654 1.00 0.00 N ATOM 290 CA ASP A 19 5.982 -2.877 -24.239 1.00 0.00 C ATOM 291 C ASP A 19 6.100 -2.502 -22.754 1.00 0.00 C ATOM 292 O ASP A 19 5.876 -3.362 -21.903 1.00 0.00 O ATOM 293 CB ASP A 19 4.729 -3.730 -24.503 1.00 0.00 C ATOM 294 CG ASP A 19 3.410 -3.020 -24.191 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.431 -2.039 -23.415 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.382 -3.493 -24.727 1.00 0.00 O ATOM 0 H ASP A 19 6.923 -4.532 -25.079 1.00 0.00 H new ATOM 0 HA ASP A 19 5.906 -1.951 -24.809 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.725 -4.036 -25.549 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.790 -4.639 -23.905 1.00 0.00 H new ATOM 301 N PRO A 20 6.385 -1.238 -22.396 1.00 0.00 N ATOM 302 CA PRO A 20 6.730 -0.866 -21.031 1.00 0.00 C ATOM 303 C PRO A 20 5.491 -0.717 -20.136 1.00 0.00 C ATOM 304 O PRO A 20 5.480 0.110 -19.222 1.00 0.00 O ATOM 305 CB PRO A 20 7.495 0.452 -21.190 1.00 0.00 C ATOM 306 CG PRO A 20 6.767 1.109 -22.362 1.00 0.00 C ATOM 307 CD PRO A 20 6.463 -0.079 -23.275 1.00 0.00 C ATOM 0 HA PRO A 20 7.324 -1.631 -20.531 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.447 1.062 -20.288 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.550 0.287 -21.407 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.857 1.616 -22.041 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.389 1.854 -22.859 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.526 0.069 -23.812 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.244 -0.207 -24.025 1.00 0.00 H new ATOM 315 N ASN A 21 4.437 -1.504 -20.376 1.00 0.00 N ATOM 316 CA ASN A 21 3.253 -1.488 -19.527 1.00 0.00 C ATOM 317 C ASN A 21 2.359 -2.713 -19.729 1.00 0.00 C ATOM 318 O ASN A 21 1.159 -2.645 -19.461 1.00 0.00 O ATOM 319 CB ASN A 21 2.467 -0.175 -19.715 1.00 0.00 C ATOM 320 CG ASN A 21 2.215 0.485 -18.367 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.116 0.440 -17.822 1.00 0.00 O ATOM 322 ND2 ASN A 21 3.264 1.086 -17.815 1.00 0.00 N ATOM 0 H ASN A 21 4.385 -2.160 -21.155 1.00 0.00 H new ATOM 0 HA ASN A 21 3.600 -1.537 -18.495 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.026 0.502 -20.361 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.518 -0.379 -20.211 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.174 1.534 -16.903 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.159 1.100 -18.303 1.00 0.00 H new ATOM 329 N GLN A 22 2.923 -3.839 -20.183 1.00 0.00 N ATOM 330 CA GLN A 22 2.160 -5.035 -20.495 1.00 0.00 C ATOM 331 C GLN A 22 3.011 -6.292 -20.290 1.00 0.00 C ATOM 332 O GLN A 22 4.202 -6.274 -20.587 1.00 0.00 O ATOM 333 CB GLN A 22 1.663 -4.899 -21.932 1.00 0.00 C ATOM 334 CG GLN A 22 0.635 -5.968 -22.290 1.00 0.00 C ATOM 335 CD GLN A 22 -0.483 -5.407 -23.164 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.657 -5.619 -22.875 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.146 -4.671 -24.220 1.00 0.00 N ATOM 0 H GLN A 22 3.926 -3.938 -20.342 1.00 0.00 H new ATOM 0 HA GLN A 22 1.306 -5.139 -19.825 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.221 -3.912 -22.070 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.509 -4.968 -22.615 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.129 -6.787 -22.813 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.209 -6.383 -21.377 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.838 -4.511 -24.437 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.871 -4.267 -24.812 1.00 0.00 H new ATOM 346 N LEU A 23 2.404 -7.368 -19.776 1.00 0.00 N ATOM 347 CA LEU A 23 3.045 -8.659 -19.553 1.00 0.00 C ATOM 348 C LEU A 23 2.288 -9.707 -20.369 1.00 0.00 C ATOM 349 O LEU A 23 1.068 -9.775 -20.260 1.00 0.00 O ATOM 350 CB LEU A 23 2.922 -9.066 -18.073 1.00 0.00 C ATOM 351 CG LEU A 23 3.450 -8.076 -17.028 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.991 -8.554 -15.654 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.965 -7.993 -16.942 1.00 0.00 C ATOM 0 H LEU A 23 1.423 -7.359 -19.497 1.00 0.00 H new ATOM 0 HA LEU A 23 4.095 -8.592 -19.837 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.869 -9.252 -17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.447 -10.012 -17.938 1.00 0.00 H new ATOM 0 HG LEU A 23 3.070 -7.099 -17.326 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.354 -7.867 -14.890 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.902 -8.587 -15.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.389 -9.551 -15.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.247 -7.269 -16.178 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.369 -8.971 -16.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.367 -7.679 -17.905 1.00 0.00 H new ATOM 365 N SER A 24 2.970 -10.535 -21.163 1.00 0.00 N ATOM 366 CA SER A 24 2.356 -11.722 -21.755 1.00 0.00 C ATOM 367 C SER A 24 2.628 -12.910 -20.837 1.00 0.00 C ATOM 368 O SER A 24 3.426 -12.784 -19.916 1.00 0.00 O ATOM 369 CB SER A 24 2.825 -11.944 -23.194 1.00 0.00 C ATOM 370 OG SER A 24 2.043 -12.966 -23.787 1.00 0.00 O ATOM 0 H SER A 24 3.951 -10.403 -21.411 1.00 0.00 H new ATOM 0 HA SER A 24 1.277 -11.589 -21.834 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.732 -11.021 -23.766 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.879 -12.222 -23.207 1.00 0.00 H new ATOM 0 HG SER A 24 1.098 -12.707 -23.768 1.00 0.00 H new ATOM 376 N LYS A 25 1.961 -14.046 -21.051 1.00 0.00 N ATOM 377 CA LYS A 25 1.969 -15.188 -20.139 1.00 0.00 C ATOM 378 C LYS A 25 3.356 -15.612 -19.664 1.00 0.00 C ATOM 379 O LYS A 25 3.512 -16.015 -18.516 1.00 0.00 O ATOM 380 CB LYS A 25 1.146 -16.349 -20.712 1.00 0.00 C ATOM 381 CG LYS A 25 1.738 -16.961 -21.989 1.00 0.00 C ATOM 382 CD LYS A 25 0.746 -17.922 -22.660 1.00 0.00 C ATOM 383 CE LYS A 25 0.359 -19.098 -21.753 1.00 0.00 C ATOM 384 NZ LYS A 25 -0.503 -20.061 -22.461 1.00 0.00 N ATOM 0 H LYS A 25 1.389 -14.199 -21.881 1.00 0.00 H new ATOM 0 HA LYS A 25 1.480 -14.851 -19.225 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.059 -17.128 -19.954 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.137 -15.996 -20.924 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.005 -16.166 -22.685 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.657 -17.495 -21.747 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.153 -17.373 -22.940 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.185 -18.307 -23.581 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.260 -19.602 -21.404 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.159 -18.724 -20.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.747 -20.844 -21.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.373 -19.584 -22.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.002 -20.435 -23.289 1.00 0.00 H new ATOM 398 N GLU A 26 4.373 -15.494 -20.513 1.00 0.00 N ATOM 399 CA GLU A 26 5.738 -15.804 -20.122 1.00 0.00 C ATOM 400 C GLU A 26 6.274 -14.754 -19.146 1.00 0.00 C ATOM 401 O GLU A 26 6.936 -15.090 -18.164 1.00 0.00 O ATOM 402 CB GLU A 26 6.610 -15.924 -21.374 1.00 0.00 C ATOM 403 CG GLU A 26 6.092 -17.063 -22.261 1.00 0.00 C ATOM 404 CD GLU A 26 6.379 -18.438 -21.668 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.560 -18.844 -21.719 1.00 0.00 O ATOM 406 OE2 GLU A 26 5.417 -19.054 -21.159 1.00 0.00 O ATOM 0 H GLU A 26 4.273 -15.184 -21.480 1.00 0.00 H new ATOM 0 HA GLU A 26 5.760 -16.760 -19.599 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.598 -14.985 -21.928 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.645 -16.114 -21.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.017 -16.949 -22.404 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.554 -16.992 -23.246 1.00 0.00 H new ATOM 413 N GLU A 27 5.970 -13.479 -19.389 1.00 0.00 N ATOM 414 CA GLU A 27 6.398 -12.431 -18.479 1.00 0.00 C ATOM 415 C GLU A 27 5.604 -12.581 -17.174 1.00 0.00 C ATOM 416 O GLU A 27 6.175 -12.508 -16.085 1.00 0.00 O ATOM 417 CB GLU A 27 6.233 -11.064 -19.160 1.00 0.00 C ATOM 418 CG GLU A 27 7.202 -10.007 -18.607 1.00 0.00 C ATOM 419 CD GLU A 27 8.633 -10.245 -19.081 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.851 -10.130 -20.306 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.475 -10.555 -18.210 1.00 0.00 O ATOM 0 H GLU A 27 5.437 -13.156 -20.197 1.00 0.00 H new ATOM 0 HA GLU A 27 7.455 -12.512 -18.226 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.395 -11.175 -20.232 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.208 -10.717 -19.027 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.876 -9.015 -18.921 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.173 -10.022 -17.517 1.00 0.00 H new ATOM 428 N LEU A 28 4.294 -12.851 -17.286 1.00 0.00 N ATOM 429 CA LEU A 28 3.447 -13.085 -16.133 1.00 0.00 C ATOM 430 C LEU A 28 3.963 -14.263 -15.304 1.00 0.00 C ATOM 431 O LEU A 28 4.083 -14.144 -14.085 1.00 0.00 O ATOM 432 CB LEU A 28 1.977 -13.271 -16.526 1.00 0.00 C ATOM 433 CG LEU A 28 1.087 -13.091 -15.281 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.735 -11.619 -15.041 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.197 -13.916 -15.371 1.00 0.00 C ATOM 0 H LEU A 28 3.805 -12.910 -18.179 1.00 0.00 H new ATOM 0 HA LEU A 28 3.493 -12.192 -15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.700 -12.547 -17.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.826 -14.262 -16.954 1.00 0.00 H new ATOM 0 HG LEU A 28 1.672 -13.453 -14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.107 -11.535 -14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.650 -11.046 -14.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.198 -11.228 -15.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.794 -13.759 -14.473 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.769 -13.605 -16.246 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.055 -14.973 -15.459 1.00 0.00 H new ATOM 447 N LYS A 29 4.274 -15.408 -15.925 1.00 0.00 N ATOM 448 CA LYS A 29 4.762 -16.515 -15.115 1.00 0.00 C ATOM 449 C LYS A 29 6.076 -16.111 -14.452 1.00 0.00 C ATOM 450 O LYS A 29 6.281 -16.388 -13.272 1.00 0.00 O ATOM 451 CB LYS A 29 4.820 -17.838 -15.893 1.00 0.00 C ATOM 452 CG LYS A 29 6.055 -18.034 -16.775 1.00 0.00 C ATOM 453 CD LYS A 29 5.924 -19.314 -17.605 1.00 0.00 C ATOM 454 CE LYS A 29 7.230 -19.589 -18.357 1.00 0.00 C ATOM 455 NZ LYS A 29 7.080 -20.718 -19.290 1.00 0.00 N ATOM 0 H LYS A 29 4.201 -15.583 -16.927 1.00 0.00 H new ATOM 0 HA LYS A 29 4.048 -16.722 -14.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.771 -18.661 -15.179 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.932 -17.908 -16.521 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.177 -17.176 -17.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.949 -18.087 -16.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.685 -20.156 -16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.101 -19.215 -18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.531 -18.697 -18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.025 -19.807 -17.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.993 -20.914 -19.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.767 -21.561 -18.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.374 -20.478 -20.015 1.00 0.00 H new ATOM 469 N LEU A 30 6.972 -15.443 -15.190 1.00 0.00 N ATOM 470 CA LEU A 30 8.257 -15.029 -14.647 1.00 0.00 C ATOM 471 C LEU A 30 8.078 -14.204 -13.367 1.00 0.00 C ATOM 472 O LEU A 30 8.586 -14.592 -12.311 1.00 0.00 O ATOM 473 CB LEU A 30 9.077 -14.290 -15.715 1.00 0.00 C ATOM 474 CG LEU A 30 10.518 -13.989 -15.269 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.356 -15.265 -15.116 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.188 -13.079 -16.304 1.00 0.00 C ATOM 0 H LEU A 30 6.824 -15.181 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 30 8.821 -15.918 -14.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.103 -14.890 -16.624 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.577 -13.354 -15.965 1.00 0.00 H new ATOM 0 HG LEU A 30 10.466 -13.501 -14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.365 -15.002 -14.800 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.899 -15.913 -14.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.400 -15.788 -16.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.210 -12.863 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.203 -13.579 -17.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.629 -12.147 -16.385 1.00 0.00 H new ATOM 488 N LEU A 31 7.366 -13.072 -13.427 1.00 0.00 N ATOM 489 CA LEU A 31 7.284 -12.222 -12.241 1.00 0.00 C ATOM 490 C LEU A 31 6.445 -12.852 -11.137 1.00 0.00 C ATOM 491 O LEU A 31 6.788 -12.694 -9.971 1.00 0.00 O ATOM 492 CB LEU A 31 6.931 -10.755 -12.529 1.00 0.00 C ATOM 493 CG LEU A 31 5.459 -10.350 -12.557 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.329 -8.832 -12.715 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.791 -11.009 -13.743 1.00 0.00 C ATOM 0 H LEU A 31 6.860 -12.737 -14.247 1.00 0.00 H new ATOM 0 HA LEU A 31 8.302 -12.165 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.429 -10.141 -11.779 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.365 -10.493 -13.494 1.00 0.00 H new ATOM 0 HG LEU A 31 4.989 -10.661 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.274 -8.557 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.819 -8.336 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.801 -8.521 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.739 -10.726 -13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.279 -10.685 -14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.873 -12.092 -13.651 1.00 0.00 H new ATOM 507 N LEU A 32 5.374 -13.587 -11.463 1.00 0.00 N ATOM 508 CA LEU A 32 4.614 -14.254 -10.412 1.00 0.00 C ATOM 509 C LEU A 32 5.485 -15.289 -9.712 1.00 0.00 C ATOM 510 O LEU A 32 5.482 -15.338 -8.490 1.00 0.00 O ATOM 511 CB LEU A 32 3.289 -14.829 -10.930 1.00 0.00 C ATOM 512 CG LEU A 32 2.142 -13.811 -10.818 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.497 -12.418 -11.346 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.937 -14.329 -11.594 1.00 0.00 C ATOM 0 H LEU A 32 5.028 -13.729 -12.412 1.00 0.00 H new ATOM 0 HA LEU A 32 4.328 -13.511 -9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.406 -15.131 -11.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.036 -15.726 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 32 1.927 -13.705 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.638 -11.756 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.339 -12.019 -10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.766 -12.486 -12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.120 -13.612 -11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.208 -14.461 -12.641 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.620 -15.285 -11.178 1.00 0.00 H new ATOM 526 N GLN A 33 6.279 -16.073 -10.441 1.00 0.00 N ATOM 527 CA GLN A 33 7.220 -16.971 -9.785 1.00 0.00 C ATOM 528 C GLN A 33 8.215 -16.192 -8.922 1.00 0.00 C ATOM 529 O GLN A 33 8.442 -16.568 -7.775 1.00 0.00 O ATOM 530 CB GLN A 33 7.966 -17.815 -10.820 1.00 0.00 C ATOM 531 CG GLN A 33 7.050 -18.863 -11.466 1.00 0.00 C ATOM 532 CD GLN A 33 7.696 -19.437 -12.719 1.00 0.00 C ATOM 533 OE1 GLN A 33 7.982 -20.626 -12.804 1.00 0.00 O ATOM 534 NE2 GLN A 33 7.937 -18.577 -13.701 1.00 0.00 N ATOM 0 H GLN A 33 6.289 -16.104 -11.460 1.00 0.00 H new ATOM 0 HA GLN A 33 6.651 -17.635 -9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.376 -17.164 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.810 -18.314 -10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.846 -19.664 -10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.091 -18.410 -11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.684 -17.595 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.375 -18.898 -14.564 1.00 0.00 H new ATOM 543 N THR A 34 8.824 -15.133 -9.469 1.00 0.00 N ATOM 544 CA THR A 34 9.851 -14.397 -8.736 1.00 0.00 C ATOM 545 C THR A 34 9.269 -13.798 -7.447 1.00 0.00 C ATOM 546 O THR A 34 9.792 -14.012 -6.357 1.00 0.00 O ATOM 547 CB THR A 34 10.491 -13.282 -9.590 1.00 0.00 C ATOM 548 OG1 THR A 34 10.786 -13.674 -10.921 1.00 0.00 O ATOM 549 CG2 THR A 34 11.807 -12.836 -8.941 1.00 0.00 C ATOM 0 H THR A 34 8.625 -14.774 -10.403 1.00 0.00 H new ATOM 0 HA THR A 34 10.634 -15.111 -8.483 1.00 0.00 H new ATOM 0 HB THR A 34 9.754 -12.481 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.951 -13.853 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.261 -12.048 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.608 -12.458 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.489 -13.684 -8.880 1.00 0.00 H new ATOM 557 N GLU A 35 8.206 -13.004 -7.594 1.00 0.00 N ATOM 558 CA GLU A 35 7.653 -12.169 -6.543 1.00 0.00 C ATOM 559 C GLU A 35 6.636 -12.924 -5.684 1.00 0.00 C ATOM 560 O GLU A 35 6.587 -12.713 -4.474 1.00 0.00 O ATOM 561 CB GLU A 35 7.027 -10.921 -7.187 1.00 0.00 C ATOM 562 CG GLU A 35 8.002 -10.159 -8.097 1.00 0.00 C ATOM 563 CD GLU A 35 9.292 -9.759 -7.389 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.179 -9.109 -6.328 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.365 -10.111 -7.924 1.00 0.00 O ATOM 0 H GLU A 35 7.697 -12.927 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 35 8.455 -11.871 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.154 -11.218 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.674 -10.252 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.245 -10.780 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.510 -9.264 -8.477 1.00 0.00 H new ATOM 572 N PHE A 36 5.809 -13.777 -6.299 1.00 0.00 N ATOM 573 CA PHE A 36 4.668 -14.422 -5.653 1.00 0.00 C ATOM 574 C PHE A 36 4.707 -15.947 -5.820 1.00 0.00 C ATOM 575 O PHE A 36 3.757 -16.525 -6.357 1.00 0.00 O ATOM 576 CB PHE A 36 3.384 -13.847 -6.266 1.00 0.00 C ATOM 577 CG PHE A 36 3.316 -12.330 -6.294 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.685 -11.584 -5.158 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.061 -11.665 -7.507 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.934 -10.206 -5.273 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.288 -10.285 -7.617 1.00 0.00 C ATOM 582 CZ PHE A 36 3.780 -9.569 -6.515 1.00 0.00 C ATOM 0 H PHE A 36 5.919 -14.041 -7.278 1.00 0.00 H new ATOM 0 HA PHE A 36 4.702 -14.222 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.286 -14.220 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.529 -14.225 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.777 -12.071 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.689 -12.219 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.243 -9.638 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.085 -9.775 -8.547 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.041 -8.526 -6.622 1.00 0.00 H new ATOM 592 N PRO A 37 5.769 -16.624 -5.353 1.00 0.00 N ATOM 593 CA PRO A 37 5.866 -18.067 -5.440 1.00 0.00 C ATOM 594 C PRO A 37 4.691 -18.717 -4.709 1.00 0.00 C ATOM 595 O PRO A 37 4.031 -18.100 -3.874 1.00 0.00 O ATOM 596 CB PRO A 37 7.220 -18.437 -4.827 1.00 0.00 C ATOM 597 CG PRO A 37 7.494 -17.281 -3.867 1.00 0.00 C ATOM 598 CD PRO A 37 6.893 -16.088 -4.607 1.00 0.00 C ATOM 0 HA PRO A 37 5.813 -18.427 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.178 -19.393 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.997 -18.522 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.021 -17.438 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.560 -17.150 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.569 -15.316 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.624 -15.630 -5.273 1.00 0.00 H new ATOM 606 N SER A 38 4.399 -19.969 -5.059 1.00 0.00 N ATOM 607 CA SER A 38 3.269 -20.743 -4.550 1.00 0.00 C ATOM 608 C SER A 38 1.911 -20.248 -5.060 1.00 0.00 C ATOM 609 O SER A 38 1.071 -21.074 -5.401 1.00 0.00 O ATOM 610 CB SER A 38 3.291 -20.851 -3.018 1.00 0.00 C ATOM 611 OG SER A 38 4.584 -21.219 -2.579 1.00 0.00 O ATOM 0 H SER A 38 4.964 -20.491 -5.729 1.00 0.00 H new ATOM 0 HA SER A 38 3.395 -21.747 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.004 -19.898 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.561 -21.590 -2.686 1.00 0.00 H new ATOM 0 HG SER A 38 4.591 -21.284 -1.601 1.00 0.00 H new ATOM 617 N LEU A 39 1.668 -18.934 -5.140 1.00 0.00 N ATOM 618 CA LEU A 39 0.364 -18.419 -5.559 1.00 0.00 C ATOM 619 C LEU A 39 0.010 -18.898 -6.970 1.00 0.00 C ATOM 620 O LEU A 39 -1.132 -19.260 -7.237 1.00 0.00 O ATOM 621 CB LEU A 39 0.292 -16.887 -5.460 1.00 0.00 C ATOM 622 CG LEU A 39 0.616 -16.306 -4.071 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.118 -14.855 -4.005 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.034 -17.086 -2.922 1.00 0.00 C ATOM 0 H LEU A 39 2.355 -18.213 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.378 -18.821 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.983 -16.459 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.710 -16.567 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 39 1.697 -16.373 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.344 -14.437 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.615 -14.264 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.959 -14.832 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.234 -16.625 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.118 -17.071 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.319 -18.117 -2.937 1.00 0.00 H new ATOM 636 N LEU A 40 1.000 -18.943 -7.868 1.00 0.00 N ATOM 637 CA LEU A 40 0.828 -19.499 -9.208 1.00 0.00 C ATOM 638 C LEU A 40 0.565 -21.014 -9.227 1.00 0.00 C ATOM 639 O LEU A 40 0.245 -21.559 -10.283 1.00 0.00 O ATOM 640 CB LEU A 40 1.976 -19.075 -10.145 1.00 0.00 C ATOM 641 CG LEU A 40 3.410 -19.583 -9.882 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.043 -19.041 -8.598 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.560 -21.107 -9.907 1.00 0.00 C ATOM 0 H LEU A 40 1.941 -18.595 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.089 -19.062 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.702 -19.383 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.012 -17.986 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 40 3.955 -19.176 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.049 -19.447 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.094 -17.953 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.438 -19.336 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.599 -21.374 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.923 -21.548 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.265 -21.486 -10.886 1.00 0.00 H new ATOM 655 N LYS A 41 0.714 -21.698 -8.085 1.00 0.00 N ATOM 656 CA LYS A 41 0.512 -23.128 -7.887 1.00 0.00 C ATOM 657 C LYS A 41 1.521 -23.972 -8.670 1.00 0.00 C ATOM 658 O LYS A 41 2.376 -24.619 -8.070 1.00 0.00 O ATOM 659 CB LYS A 41 -0.948 -23.512 -8.157 1.00 0.00 C ATOM 660 CG LYS A 41 -1.270 -24.939 -7.696 1.00 0.00 C ATOM 661 CD LYS A 41 -2.735 -25.266 -8.006 1.00 0.00 C ATOM 662 CE LYS A 41 -3.080 -26.682 -7.534 1.00 0.00 C ATOM 663 NZ LYS A 41 -4.483 -27.018 -7.836 1.00 0.00 N ATOM 0 H LYS A 41 0.997 -21.232 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 41 0.708 -23.356 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.606 -22.810 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.154 -23.422 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.615 -25.650 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.085 -25.036 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.387 -24.544 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.914 -25.180 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.419 -27.401 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.907 -26.763 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.688 -27.982 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.113 -26.345 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.640 -26.964 -8.863 1.00 0.00 H new ATOM 677 N GLY A 42 1.423 -23.989 -10.000 1.00 0.00 N ATOM 678 CA GLY A 42 2.311 -24.780 -10.831 1.00 0.00 C ATOM 679 C GLY A 42 1.849 -24.803 -12.286 1.00 0.00 C ATOM 680 O GLY A 42 0.656 -24.963 -12.553 1.00 0.00 O ATOM 0 H GLY A 42 0.728 -23.456 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.321 -24.373 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.357 -25.799 -10.447 1.00 0.00 H new ATOM 684 N MET A 43 2.824 -24.663 -13.194 1.00 0.00 N ATOM 685 CA MET A 43 2.759 -24.820 -14.643 1.00 0.00 C ATOM 686 C MET A 43 1.352 -24.614 -15.214 1.00 0.00 C ATOM 687 O MET A 43 0.942 -23.477 -15.437 1.00 0.00 O ATOM 688 CB MET A 43 3.374 -26.173 -15.058 1.00 0.00 C ATOM 689 CG MET A 43 4.896 -26.264 -14.857 1.00 0.00 C ATOM 690 SD MET A 43 5.561 -26.277 -13.166 1.00 0.00 S ATOM 691 CE MET A 43 4.755 -27.742 -12.480 1.00 0.00 C ATOM 0 H MET A 43 3.767 -24.413 -12.898 1.00 0.00 H new ATOM 0 HA MET A 43 3.356 -24.022 -15.085 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.895 -26.967 -14.485 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.146 -26.356 -16.108 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.240 -27.172 -15.353 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.348 -25.423 -15.382 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.197 -27.981 -11.513 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.690 -27.546 -12.354 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.891 -28.584 -13.159 1.00 0.00 H new ATOM 701 N SER A 44 0.616 -25.704 -15.449 1.00 0.00 N ATOM 702 CA SER A 44 -0.697 -25.730 -16.070 1.00 0.00 C ATOM 703 C SER A 44 -1.638 -24.658 -15.521 1.00 0.00 C ATOM 704 O SER A 44 -2.364 -24.021 -16.284 1.00 0.00 O ATOM 705 CB SER A 44 -1.274 -27.133 -15.863 1.00 0.00 C ATOM 706 OG SER A 44 -0.231 -28.083 -16.016 1.00 0.00 O ATOM 0 H SER A 44 0.943 -26.636 -15.196 1.00 0.00 H new ATOM 0 HA SER A 44 -0.595 -25.503 -17.131 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.718 -27.216 -14.871 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.068 -27.325 -16.585 1.00 0.00 H new ATOM 0 HG SER A 44 0.078 -28.375 -15.133 1.00 0.00 H new ATOM 712 N THR A 45 -1.613 -24.440 -14.203 1.00 0.00 N ATOM 713 CA THR A 45 -2.477 -23.477 -13.534 1.00 0.00 C ATOM 714 C THR A 45 -2.347 -22.082 -14.154 1.00 0.00 C ATOM 715 O THR A 45 -3.318 -21.323 -14.168 1.00 0.00 O ATOM 716 CB THR A 45 -2.167 -23.443 -12.029 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.904 -24.749 -11.550 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.352 -22.861 -11.251 1.00 0.00 C ATOM 0 H THR A 45 -0.985 -24.934 -13.569 1.00 0.00 H new ATOM 0 HA THR A 45 -3.510 -23.796 -13.669 1.00 0.00 H new ATOM 0 HB THR A 45 -1.289 -22.815 -11.881 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.955 -24.959 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.116 -22.844 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.550 -21.846 -11.595 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.235 -23.479 -11.417 1.00 0.00 H new ATOM 726 N LEU A 46 -1.168 -21.752 -14.697 1.00 0.00 N ATOM 727 CA LEU A 46 -0.930 -20.489 -15.376 1.00 0.00 C ATOM 728 C LEU A 46 -1.983 -20.265 -16.448 1.00 0.00 C ATOM 729 O LEU A 46 -2.442 -19.145 -16.614 1.00 0.00 O ATOM 730 CB LEU A 46 0.464 -20.472 -16.018 1.00 0.00 C ATOM 731 CG LEU A 46 0.797 -19.134 -16.710 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.172 -18.059 -15.683 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.949 -19.368 -17.692 1.00 0.00 C ATOM 0 H LEU A 46 -0.352 -22.364 -14.673 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.988 -19.690 -14.637 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.213 -20.674 -15.252 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.531 -21.278 -16.749 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.081 -18.775 -17.247 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.402 -17.127 -16.199 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.337 -17.900 -15.001 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.045 -18.385 -15.117 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.198 -18.431 -18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.821 -19.733 -17.149 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.649 -20.106 -18.436 1.00 0.00 H new ATOM 745 N ASP A 47 -2.362 -21.308 -17.190 1.00 0.00 N ATOM 746 CA ASP A 47 -3.330 -21.160 -18.262 1.00 0.00 C ATOM 747 C ASP A 47 -4.629 -20.563 -17.716 1.00 0.00 C ATOM 748 O ASP A 47 -5.121 -19.554 -18.217 1.00 0.00 O ATOM 749 CB ASP A 47 -3.567 -22.524 -18.911 1.00 0.00 C ATOM 750 CG ASP A 47 -4.541 -22.404 -20.078 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.065 -22.037 -21.174 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.739 -22.675 -19.847 1.00 0.00 O ATOM 0 H ASP A 47 -2.011 -22.257 -17.064 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.949 -20.477 -19.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.620 -22.935 -19.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.962 -23.220 -18.171 1.00 0.00 H new ATOM 757 N GLU A 48 -5.155 -21.178 -16.656 1.00 0.00 N ATOM 758 CA GLU A 48 -6.405 -20.759 -16.047 1.00 0.00 C ATOM 759 C GLU A 48 -6.233 -19.382 -15.409 1.00 0.00 C ATOM 760 O GLU A 48 -7.040 -18.483 -15.634 1.00 0.00 O ATOM 761 CB GLU A 48 -6.844 -21.810 -15.021 1.00 0.00 C ATOM 762 CG GLU A 48 -8.211 -21.501 -14.392 1.00 0.00 C ATOM 763 CD GLU A 48 -9.330 -21.474 -15.429 1.00 0.00 C ATOM 764 OE1 GLU A 48 -9.728 -22.579 -15.859 1.00 0.00 O ATOM 765 OE2 GLU A 48 -9.759 -20.354 -15.779 1.00 0.00 O ATOM 0 H GLU A 48 -4.721 -21.981 -16.200 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.184 -20.677 -16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.885 -22.786 -15.504 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.094 -21.876 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.438 -22.251 -13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.166 -20.538 -13.884 1.00 0.00 H new ATOM 772 N LEU A 49 -5.178 -19.217 -14.608 1.00 0.00 N ATOM 773 CA LEU A 49 -4.906 -17.960 -13.930 1.00 0.00 C ATOM 774 C LEU A 49 -4.854 -16.830 -14.956 1.00 0.00 C ATOM 775 O LEU A 49 -5.582 -15.848 -14.834 1.00 0.00 O ATOM 776 CB LEU A 49 -3.608 -18.082 -13.120 1.00 0.00 C ATOM 777 CG LEU A 49 -3.248 -16.813 -12.329 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.358 -16.405 -11.351 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.957 -17.074 -11.544 1.00 0.00 C ATOM 0 H LEU A 49 -4.495 -19.950 -14.416 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.704 -17.725 -13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.701 -18.917 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.789 -18.321 -13.798 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.119 -15.997 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.058 -15.504 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.277 -16.210 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.529 -17.211 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.689 -16.182 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.110 -17.907 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.153 -17.319 -12.238 1.00 0.00 H new ATOM 791 N PHE A 50 -4.030 -16.989 -15.995 1.00 0.00 N ATOM 792 CA PHE A 50 -3.934 -16.045 -17.092 1.00 0.00 C ATOM 793 C PHE A 50 -5.307 -15.806 -17.718 1.00 0.00 C ATOM 794 O PHE A 50 -5.685 -14.658 -17.922 1.00 0.00 O ATOM 795 CB PHE A 50 -2.923 -16.527 -18.140 1.00 0.00 C ATOM 796 CG PHE A 50 -2.370 -15.408 -18.994 1.00 0.00 C ATOM 797 CD1 PHE A 50 -3.095 -14.903 -20.090 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.183 -14.770 -18.595 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.596 -13.804 -20.813 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.734 -13.626 -19.270 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.383 -13.203 -20.435 1.00 0.00 C ATOM 0 H PHE A 50 -3.406 -17.790 -16.091 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.575 -15.095 -16.696 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.099 -17.031 -17.635 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.401 -17.265 -18.784 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.032 -15.358 -20.375 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.614 -15.163 -17.765 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.146 -13.421 -21.660 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.112 -13.072 -18.891 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.954 -12.419 -21.041 1.00 0.00 H new ATOM 811 N GLU A 51 -6.059 -16.871 -18.016 1.00 0.00 N ATOM 812 CA GLU A 51 -7.376 -16.738 -18.628 1.00 0.00 C ATOM 813 C GLU A 51 -8.312 -15.893 -17.757 1.00 0.00 C ATOM 814 O GLU A 51 -9.076 -15.080 -18.268 1.00 0.00 O ATOM 815 CB GLU A 51 -7.958 -18.131 -18.915 1.00 0.00 C ATOM 816 CG GLU A 51 -9.255 -18.091 -19.740 1.00 0.00 C ATOM 817 CD GLU A 51 -9.069 -17.474 -21.125 1.00 0.00 C ATOM 818 OE1 GLU A 51 -8.009 -17.737 -21.734 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.999 -16.760 -21.559 1.00 0.00 O ATOM 0 H GLU A 51 -5.773 -17.834 -17.841 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.274 -16.210 -19.576 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.215 -18.725 -19.448 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.153 -18.638 -17.970 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.639 -19.105 -19.850 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.008 -17.522 -19.194 1.00 0.00 H new ATOM 826 N GLU A 52 -8.256 -16.089 -16.438 1.00 0.00 N ATOM 827 CA GLU A 52 -9.094 -15.366 -15.493 1.00 0.00 C ATOM 828 C GLU A 52 -8.659 -13.900 -15.449 1.00 0.00 C ATOM 829 O GLU A 52 -9.476 -12.984 -15.480 1.00 0.00 O ATOM 830 CB GLU A 52 -8.974 -16.033 -14.114 1.00 0.00 C ATOM 831 CG GLU A 52 -9.929 -15.419 -13.081 1.00 0.00 C ATOM 832 CD GLU A 52 -9.696 -16.010 -11.696 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.044 -17.197 -11.516 1.00 0.00 O ATOM 834 OE2 GLU A 52 -9.164 -15.266 -10.842 1.00 0.00 O ATOM 0 H GLU A 52 -7.624 -16.758 -15.998 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.139 -15.397 -15.801 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.183 -17.098 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.948 -15.940 -13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.787 -14.339 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.961 -15.595 -13.386 1.00 0.00 H new ATOM 841 N LEU A 53 -7.349 -13.702 -15.326 1.00 0.00 N ATOM 842 CA LEU A 53 -6.703 -12.417 -15.142 1.00 0.00 C ATOM 843 C LEU A 53 -6.912 -11.531 -16.370 1.00 0.00 C ATOM 844 O LEU A 53 -7.416 -10.414 -16.268 1.00 0.00 O ATOM 845 CB LEU A 53 -5.220 -12.714 -14.899 1.00 0.00 C ATOM 846 CG LEU A 53 -4.384 -11.580 -14.312 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.948 -12.114 -14.259 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.427 -10.269 -15.089 1.00 0.00 C ATOM 0 H LEU A 53 -6.682 -14.474 -15.354 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.125 -11.870 -14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.149 -13.571 -14.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.772 -13.012 -15.847 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.793 -11.317 -13.337 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.290 -11.349 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.913 -13.002 -13.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.618 -12.371 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.801 -9.529 -14.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.057 -10.434 -16.101 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.454 -9.905 -15.133 1.00 0.00 H new ATOM 860 N ASP A 54 -6.488 -12.020 -17.536 1.00 0.00 N ATOM 861 CA ASP A 54 -6.561 -11.304 -18.795 1.00 0.00 C ATOM 862 C ASP A 54 -8.017 -11.305 -19.259 1.00 0.00 C ATOM 863 O ASP A 54 -8.390 -12.023 -20.185 1.00 0.00 O ATOM 864 CB ASP A 54 -5.654 -11.972 -19.835 1.00 0.00 C ATOM 865 CG ASP A 54 -5.784 -11.381 -21.241 1.00 0.00 C ATOM 866 OD1 ASP A 54 -6.365 -10.280 -21.368 1.00 0.00 O ATOM 867 OD2 ASP A 54 -5.323 -12.060 -22.185 1.00 0.00 O ATOM 0 H ASP A 54 -6.075 -12.948 -17.625 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.218 -10.277 -18.669 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.618 -11.884 -19.509 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.886 -13.036 -19.876 1.00 0.00 H new ATOM 872 N LYS A 55 -8.831 -10.479 -18.616 1.00 0.00 N ATOM 873 CA LYS A 55 -10.244 -10.304 -18.922 1.00 0.00 C ATOM 874 C LYS A 55 -10.467 -10.033 -20.418 1.00 0.00 C ATOM 875 O LYS A 55 -11.449 -10.497 -20.994 1.00 0.00 O ATOM 876 CB LYS A 55 -10.807 -9.178 -18.045 1.00 0.00 C ATOM 877 CG LYS A 55 -12.340 -9.133 -18.085 1.00 0.00 C ATOM 878 CD LYS A 55 -12.854 -8.037 -17.142 1.00 0.00 C ATOM 879 CE LYS A 55 -14.380 -7.906 -17.199 1.00 0.00 C ATOM 880 NZ LYS A 55 -15.057 -9.134 -16.747 1.00 0.00 N ATOM 0 H LYS A 55 -8.516 -9.894 -17.842 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.779 -11.227 -18.698 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.475 -9.319 -17.016 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.407 -8.221 -18.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.681 -8.939 -19.102 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.749 -10.100 -17.791 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.547 -8.263 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.397 -7.084 -17.409 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.695 -7.068 -16.577 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.686 -7.678 -18.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.081 -8.964 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.872 -9.902 -17.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.697 -9.404 -15.810 1.00 0.00 H new ATOM 894 N ALA A 56 -9.562 -9.278 -21.048 1.00 0.00 N ATOM 895 CA ALA A 56 -9.617 -8.972 -22.472 1.00 0.00 C ATOM 896 C ALA A 56 -9.406 -10.212 -23.352 1.00 0.00 C ATOM 897 O ALA A 56 -9.810 -10.212 -24.512 1.00 0.00 O ATOM 898 CB ALA A 56 -8.575 -7.898 -22.800 1.00 0.00 C ATOM 0 H ALA A 56 -8.762 -8.859 -20.573 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.618 -8.602 -22.694 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.613 -7.667 -23.864 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.788 -6.997 -22.225 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.581 -8.265 -22.544 1.00 0.00 H new ATOM 904 N GLY A 57 -8.747 -11.249 -22.828 1.00 0.00 N ATOM 905 CA GLY A 57 -8.446 -12.476 -23.550 1.00 0.00 C ATOM 906 C GLY A 57 -7.606 -12.214 -24.800 1.00 0.00 C ATOM 907 O GLY A 57 -7.790 -12.873 -25.820 1.00 0.00 O ATOM 0 H GLY A 57 -8.403 -11.253 -21.868 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.913 -13.162 -22.892 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.377 -12.966 -23.835 1.00 0.00 H new ATOM 911 N ASP A 58 -6.668 -11.265 -24.713 1.00 0.00 N ATOM 912 CA ASP A 58 -5.795 -10.874 -25.818 1.00 0.00 C ATOM 913 C ASP A 58 -4.413 -11.533 -25.732 1.00 0.00 C ATOM 914 O ASP A 58 -3.563 -11.278 -26.581 1.00 0.00 O ATOM 915 CB ASP A 58 -5.685 -9.343 -25.882 1.00 0.00 C ATOM 916 CG ASP A 58 -4.911 -8.729 -24.718 1.00 0.00 C ATOM 917 OD1 ASP A 58 -4.707 -9.446 -23.716 1.00 0.00 O ATOM 918 OD2 ASP A 58 -4.548 -7.540 -24.849 1.00 0.00 O ATOM 0 H ASP A 58 -6.493 -10.740 -23.856 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.246 -11.233 -26.743 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.199 -9.062 -26.817 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.688 -8.917 -25.903 1.00 0.00 H new ATOM 923 N GLY A 59 -4.165 -12.355 -24.707 1.00 0.00 N ATOM 924 CA GLY A 59 -2.874 -12.995 -24.496 1.00 0.00 C ATOM 925 C GLY A 59 -1.885 -12.063 -23.788 1.00 0.00 C ATOM 926 O GLY A 59 -0.680 -12.327 -23.791 1.00 0.00 O ATOM 0 H GLY A 59 -4.861 -12.592 -24.000 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.009 -13.899 -23.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.460 -13.303 -25.456 1.00 0.00 H new ATOM 930 N GLU A 60 -2.383 -10.986 -23.168 1.00 0.00 N ATOM 931 CA GLU A 60 -1.573 -9.975 -22.512 1.00 0.00 C ATOM 932 C GLU A 60 -2.263 -9.496 -21.236 1.00 0.00 C ATOM 933 O GLU A 60 -3.462 -9.683 -21.057 1.00 0.00 O ATOM 934 CB GLU A 60 -1.338 -8.798 -23.460 1.00 0.00 C ATOM 935 CG GLU A 60 -0.733 -9.205 -24.808 1.00 0.00 C ATOM 936 CD GLU A 60 -0.303 -7.976 -25.603 1.00 0.00 C ATOM 937 OE1 GLU A 60 0.856 -7.552 -25.400 1.00 0.00 O ATOM 938 OE2 GLU A 60 -1.140 -7.477 -26.385 1.00 0.00 O ATOM 0 H GLU A 60 -3.384 -10.797 -23.112 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.610 -10.410 -22.246 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.286 -8.289 -23.636 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.676 -8.080 -22.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.126 -9.856 -24.644 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.463 -9.777 -25.381 1.00 0.00 H new ATOM 945 N VAL A 61 -1.489 -8.886 -20.342 1.00 0.00 N ATOM 946 CA VAL A 61 -1.927 -8.350 -19.068 1.00 0.00 C ATOM 947 C VAL A 61 -1.360 -6.936 -18.979 1.00 0.00 C ATOM 948 O VAL A 61 -0.162 -6.765 -18.750 1.00 0.00 O ATOM 949 CB VAL A 61 -1.403 -9.253 -17.936 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.707 -8.675 -16.554 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.034 -10.642 -18.056 1.00 0.00 C ATOM 0 H VAL A 61 -0.491 -8.748 -20.500 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.013 -8.318 -18.977 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.320 -9.318 -18.039 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.319 -9.345 -15.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.234 -7.698 -16.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.785 -8.569 -16.433 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.663 -11.281 -17.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.118 -10.557 -17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.771 -11.079 -19.019 1.00 0.00 H new ATOM 961 N SER A 62 -2.205 -5.925 -19.187 1.00 0.00 N ATOM 962 CA SER A 62 -1.859 -4.532 -18.951 1.00 0.00 C ATOM 963 C SER A 62 -1.683 -4.298 -17.449 1.00 0.00 C ATOM 964 O SER A 62 -2.003 -5.175 -16.650 1.00 0.00 O ATOM 965 CB SER A 62 -2.992 -3.670 -19.511 1.00 0.00 C ATOM 966 OG SER A 62 -4.208 -4.026 -18.873 1.00 0.00 O ATOM 0 H SER A 62 -3.157 -6.057 -19.528 1.00 0.00 H new ATOM 0 HA SER A 62 -0.922 -4.270 -19.443 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.777 -2.614 -19.347 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.077 -3.814 -20.588 1.00 0.00 H new ATOM 0 HG SER A 62 -4.937 -3.475 -19.227 1.00 0.00 H new ATOM 972 N PHE A 63 -1.236 -3.109 -17.037 1.00 0.00 N ATOM 973 CA PHE A 63 -1.227 -2.769 -15.617 1.00 0.00 C ATOM 974 C PHE A 63 -2.646 -2.861 -15.037 1.00 0.00 C ATOM 975 O PHE A 63 -2.853 -3.264 -13.891 1.00 0.00 O ATOM 976 CB PHE A 63 -0.626 -1.373 -15.405 1.00 0.00 C ATOM 977 CG PHE A 63 -0.486 -0.991 -13.944 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.190 -1.849 -13.054 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.118 0.165 -13.452 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.146 -1.606 -11.670 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.116 0.436 -12.072 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.507 -0.463 -11.179 1.00 0.00 C ATOM 0 H PHE A 63 -0.882 -2.379 -17.656 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.601 -3.486 -15.086 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.355 -1.332 -15.879 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.253 -0.636 -15.907 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.743 -2.695 -13.436 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.605 0.845 -14.135 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.614 -2.297 -10.985 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.583 1.335 -11.698 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.541 -0.275 -10.116 1.00 0.00 H new ATOM 992 N GLU A 64 -3.643 -2.486 -15.841 1.00 0.00 N ATOM 993 CA GLU A 64 -5.047 -2.537 -15.468 1.00 0.00 C ATOM 994 C GLU A 64 -5.456 -3.982 -15.198 1.00 0.00 C ATOM 995 O GLU A 64 -5.988 -4.280 -14.132 1.00 0.00 O ATOM 996 CB GLU A 64 -5.913 -1.874 -16.551 1.00 0.00 C ATOM 997 CG GLU A 64 -5.702 -0.351 -16.637 1.00 0.00 C ATOM 998 CD GLU A 64 -4.279 0.059 -17.017 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.713 -0.606 -17.914 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.764 0.999 -16.373 1.00 0.00 O ATOM 0 H GLU A 64 -3.488 -2.133 -16.785 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.205 -1.973 -14.548 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.684 -2.323 -17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.964 -2.079 -16.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.396 0.061 -17.370 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.953 0.095 -15.675 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.172 -4.889 -16.137 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.430 -6.302 -15.904 1.00 0.00 C ATOM 1009 C GLU A 65 -4.645 -6.774 -14.671 1.00 0.00 C ATOM 1010 O GLU A 65 -5.192 -7.434 -13.792 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.069 -7.112 -17.157 1.00 0.00 C ATOM 1012 CG GLU A 65 -5.925 -6.782 -18.391 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.273 -7.498 -18.422 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -7.922 -7.579 -17.358 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -7.639 -7.948 -19.529 1.00 0.00 O ATOM 0 H GLU A 65 -4.770 -4.670 -17.049 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.490 -6.458 -15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.021 -6.937 -17.399 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.171 -8.173 -16.931 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.096 -5.706 -18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.365 -7.044 -19.289 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.362 -6.415 -14.578 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.494 -6.835 -13.486 1.00 0.00 C ATOM 1024 C PHE A 66 -3.084 -6.469 -12.129 1.00 0.00 C ATOM 1025 O PHE A 66 -3.045 -7.271 -11.204 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.096 -6.238 -13.630 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.081 -6.864 -12.694 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.466 -8.127 -12.992 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.345 -6.174 -11.545 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.482 -8.663 -12.184 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.369 -6.706 -10.745 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.953 -7.940 -11.075 1.00 0.00 C ATOM 0 H PHE A 66 -2.898 -5.821 -15.265 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.414 -7.921 -13.541 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.758 -6.364 -14.659 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.144 -5.166 -13.439 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.104 -8.684 -13.843 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.116 -5.234 -11.278 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.901 -9.631 -12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.708 -6.165 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.763 -8.332 -10.477 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.661 -5.276 -11.991 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.312 -4.903 -10.742 1.00 0.00 C ATOM 1044 C GLN A 67 -5.412 -5.897 -10.329 1.00 0.00 C ATOM 1045 O GLN A 67 -5.636 -6.084 -9.135 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.809 -3.457 -10.822 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.619 -2.498 -10.684 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.962 -1.114 -11.212 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.234 -0.191 -10.453 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.947 -0.971 -12.530 1.00 0.00 N ATOM 0 H GLN A 67 -3.690 -4.562 -12.719 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.573 -4.956 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.318 -3.288 -11.771 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.536 -3.267 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.325 -2.428 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.763 -2.896 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.715 -1.765 -13.127 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.167 -0.067 -12.947 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.056 -6.594 -11.272 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.968 -7.690 -10.931 1.00 0.00 C ATOM 1061 C VAL A 68 -6.199 -8.841 -10.258 1.00 0.00 C ATOM 1062 O VAL A 68 -6.704 -9.488 -9.343 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.753 -8.173 -12.168 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.842 -9.176 -11.765 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.423 -7.003 -12.902 1.00 0.00 C ATOM 0 H VAL A 68 -5.963 -6.419 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.701 -7.315 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.032 -8.650 -12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.382 -9.503 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.382 -10.038 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.536 -8.700 -11.072 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.967 -7.380 -13.768 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.117 -6.500 -12.228 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.661 -6.296 -13.232 1.00 0.00 H new ATOM 1075 N LEU A 69 -4.961 -9.097 -10.690 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.063 -10.034 -10.024 1.00 0.00 C ATOM 1077 C LEU A 69 -3.734 -9.488 -8.631 1.00 0.00 C ATOM 1078 O LEU A 69 -3.868 -10.201 -7.638 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.813 -10.262 -10.898 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.046 -11.581 -10.701 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.253 -11.609 -9.396 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.940 -12.822 -10.775 1.00 0.00 C ATOM 0 H LEU A 69 -4.555 -8.656 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.532 -11.009 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.116 -10.201 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.121 -9.439 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.350 -11.616 -11.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.731 -12.562 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.527 -10.796 -9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.934 -11.489 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.334 -13.716 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.702 -12.768 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.421 -12.866 -11.752 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.350 -8.210 -8.542 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.042 -7.569 -7.264 1.00 0.00 C ATOM 1096 C VAL A 70 -4.206 -7.719 -6.279 1.00 0.00 C ATOM 1097 O VAL A 70 -3.990 -8.031 -5.109 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.623 -6.098 -7.435 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.311 -5.460 -6.074 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.383 -5.981 -8.332 1.00 0.00 C ATOM 0 H VAL A 70 -3.245 -7.596 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.181 -8.087 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.457 -5.574 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.017 -4.420 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.197 -5.502 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.497 -6.004 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.108 -4.932 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.556 -6.530 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.604 -6.398 -9.315 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.442 -7.533 -6.746 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.630 -7.739 -5.928 1.00 0.00 C ATOM 1112 C LYS A 71 -6.610 -9.115 -5.248 1.00 0.00 C ATOM 1113 O LYS A 71 -7.086 -9.245 -4.122 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.887 -7.538 -6.788 1.00 0.00 C ATOM 1115 CG LYS A 71 -9.161 -7.466 -5.937 1.00 0.00 C ATOM 1116 CD LYS A 71 -10.376 -7.213 -6.840 1.00 0.00 C ATOM 1117 CE LYS A 71 -11.689 -7.242 -6.048 1.00 0.00 C ATOM 1118 NZ LYS A 71 -11.742 -6.181 -5.026 1.00 0.00 N ATOM 0 H LYS A 71 -5.643 -7.236 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.642 -7.001 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.786 -6.621 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.973 -8.358 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.294 -8.397 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.072 -6.668 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.269 -6.246 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.409 -7.968 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.528 -7.127 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.801 -8.214 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.678 -6.183 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.009 -6.353 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.577 -5.258 -5.475 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.057 -10.134 -5.914 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.906 -11.466 -5.349 1.00 0.00 C ATOM 1134 C LYS A 72 -4.651 -11.556 -4.470 1.00 0.00 C ATOM 1135 O LYS A 72 -4.742 -12.075 -3.358 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.944 -12.523 -6.462 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.308 -12.487 -7.175 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.489 -13.638 -8.176 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.611 -13.499 -9.425 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.977 -12.318 -10.229 1.00 0.00 N ATOM 0 H LYS A 72 -5.701 -10.050 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.748 -11.672 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.144 -12.337 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.770 -13.513 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.103 -12.531 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.414 -11.537 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.257 -14.581 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.535 -13.686 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.565 -13.424 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.705 -14.397 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.481 -12.352 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.004 -12.314 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.705 -11.453 -9.720 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.487 -11.051 -4.912 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.285 -11.099 -4.064 1.00 0.00 C ATOM 1156 C ILE A 73 -2.541 -10.427 -2.711 1.00 0.00 C ATOM 1157 O ILE A 73 -1.996 -10.845 -1.693 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.000 -10.554 -4.727 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.767 -9.048 -4.511 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.873 -10.963 -6.197 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.377 -8.485 -5.355 1.00 0.00 C ATOM 0 H ILE A 73 -3.354 -10.617 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.089 -12.160 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.185 -11.043 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.684 -8.508 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.554 -8.868 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.048 -10.552 -6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.851 -12.050 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.726 -10.578 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.487 -7.419 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.304 -9.000 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.157 -8.634 -6.412 1.00 0.00 H new ATOM 1173 N SER A 74 -3.368 -9.380 -2.715 1.00 0.00 N ATOM 1174 CA SER A 74 -3.923 -8.695 -1.554 1.00 0.00 C ATOM 1175 C SER A 74 -2.954 -7.669 -0.961 1.00 0.00 C ATOM 1176 O SER A 74 -3.345 -6.529 -0.725 1.00 0.00 O ATOM 1177 CB SER A 74 -4.455 -9.679 -0.501 1.00 0.00 C ATOM 1178 OG SER A 74 -5.393 -10.570 -1.078 1.00 0.00 O ATOM 0 H SER A 74 -3.687 -8.963 -3.590 1.00 0.00 H new ATOM 0 HA SER A 74 -4.783 -8.128 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.627 -10.243 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.923 -9.128 0.315 1.00 0.00 H new ATOM 0 HG SER A 74 -4.973 -11.050 -1.822 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.700 -8.052 -0.705 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.735 -7.138 -0.089 1.00 0.00 C ATOM 1186 C GLN A 75 -0.469 -5.935 -1.004 1.00 0.00 C ATOM 1187 O GLN A 75 -0.429 -4.804 -0.467 1.00 0.00 O ATOM 1188 CB GLN A 75 0.583 -7.849 0.270 1.00 0.00 C ATOM 1189 CG GLN A 75 0.448 -8.825 1.450 1.00 0.00 C ATOM 1190 CD GLN A 75 -0.454 -9.999 1.100 1.00 0.00 C ATOM 1191 OE1 GLN A 75 -1.548 -10.139 1.634 1.00 0.00 O ATOM 1192 NE2 GLN A 75 -0.032 -10.799 0.130 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.276 -6.166 -2.218 1.00 0.00 O ATOM 0 H GLN A 75 -1.332 -8.980 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.175 -6.780 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.943 -8.393 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.337 -7.100 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.434 -9.194 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.044 -8.299 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.885 -10.651 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.625 -11.562 -0.196 1.00 0.00 H new TER 1202 GLN A 75