USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 70 GLN :FLIP amide:sc= -1.1 F(o=-2.1,f=-1.2) USER MOD Set 1.2: A 90 SER OG : rot -33:sc= -0.0775 USER MOD Set 2.1: A 57 HIS : no HD1:sc= -6.08! C(o=-5.2!,f=-18!) USER MOD Set 2.2: A 74 SER OG : rot 155:sc= -0.268! USER MOD Set 2.3: A 78 THR OG1 : rot 42:sc= 1.17 USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 10 THR OG1 : rot 30:sc= 0.504 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 130:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -150:sc= -0.153 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 51:sc= 0.889 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.66) USER MOD Single : A 81 ASN : amide:sc= -1 K(o=-1,f=-2.5!) USER MOD Single : A 82 SER OG : rot 36:sc= 0.0258 USER MOD Single : A 83 ASN : amide:sc= -0.0336 K(o=-0.034,f=-0.66) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 92 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.3!) USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= -0.224 (180deg=-1.21!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 110 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.228 -10.516 -3.296 1.00 0.00 N ATOM 100 CA THR A 10 -10.025 -9.795 -2.914 1.00 0.00 C ATOM 101 C THR A 10 -10.388 -8.453 -2.276 1.00 0.00 C ATOM 102 O THR A 10 -11.033 -7.616 -2.906 1.00 0.00 O ATOM 103 CB THR A 10 -9.141 -9.659 -4.155 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.069 -10.983 -4.676 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.691 -9.316 -3.806 1.00 0.00 C ATOM 0 HA THR A 10 -9.462 -10.338 -2.155 1.00 0.00 H new ATOM 0 HB THR A 10 -9.549 -8.888 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.896 -11.464 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.107 -9.231 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.661 -8.369 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.271 -10.103 -3.180 1.00 0.00 H new ATOM 113 N PRO A 11 -9.947 -8.285 -1.001 1.00 0.00 N ATOM 114 CA PRO A 11 -10.218 -7.058 -0.270 1.00 0.00 C ATOM 115 C PRO A 11 -9.328 -5.916 -0.766 1.00 0.00 C ATOM 116 O PRO A 11 -8.168 -6.134 -1.112 1.00 0.00 O ATOM 117 CB PRO A 11 -9.978 -7.408 1.189 1.00 0.00 C ATOM 118 CG PRO A 11 -9.137 -8.674 1.181 1.00 0.00 C ATOM 119 CD PRO A 11 -9.180 -9.254 -0.223 1.00 0.00 C ATOM 0 HA PRO A 11 -11.236 -6.697 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.461 -6.599 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.921 -7.569 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.110 -8.452 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.523 -9.393 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.177 -9.383 -0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.656 -10.235 -0.232 1.00 0.00 H new ATOM 127 N SER A 12 -9.906 -4.724 -0.785 1.00 0.00 N ATOM 128 CA SER A 12 -9.179 -3.548 -1.233 1.00 0.00 C ATOM 129 C SER A 12 -8.038 -3.237 -0.263 1.00 0.00 C ATOM 130 O SER A 12 -8.152 -3.487 0.936 1.00 0.00 O ATOM 131 CB SER A 12 -10.111 -2.341 -1.360 1.00 0.00 C ATOM 132 OG SER A 12 -10.911 -2.406 -2.538 1.00 0.00 O ATOM 0 H SER A 12 -10.869 -4.547 -0.498 1.00 0.00 H new ATOM 0 HA SER A 12 -8.763 -3.758 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.758 -2.289 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.519 -1.426 -1.374 1.00 0.00 H new ATOM 0 HG SER A 12 -11.493 -1.619 -2.582 1.00 0.00 H new ATOM 138 N LEU A 13 -6.963 -2.697 -0.818 1.00 0.00 N ATOM 139 CA LEU A 13 -5.801 -2.350 -0.017 1.00 0.00 C ATOM 140 C LEU A 13 -5.923 -0.897 0.447 1.00 0.00 C ATOM 141 O LEU A 13 -5.906 0.023 -0.370 1.00 0.00 O ATOM 142 CB LEU A 13 -4.512 -2.644 -0.787 1.00 0.00 C ATOM 143 CG LEU A 13 -3.207 -2.425 -0.018 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.133 -3.338 1.207 1.00 0.00 C ATOM 145 CD2 LEU A 13 -1.995 -2.596 -0.936 1.00 0.00 C ATOM 0 H LEU A 13 -6.872 -2.491 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.757 -2.969 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.542 -3.680 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.494 -2.018 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.192 -1.398 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.196 -3.162 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.970 -3.124 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.180 -4.379 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.081 -2.435 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.992 -3.604 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.048 -1.871 -1.748 1.00 0.00 H new ATOM 157 N ARG A 14 -6.044 -0.735 1.756 1.00 0.00 N ATOM 158 CA ARG A 14 -6.168 0.590 2.338 1.00 0.00 C ATOM 159 C ARG A 14 -4.940 0.913 3.191 1.00 0.00 C ATOM 160 O ARG A 14 -4.841 0.472 4.335 1.00 0.00 O ATOM 161 CB ARG A 14 -7.424 0.695 3.206 1.00 0.00 C ATOM 162 CG ARG A 14 -7.552 2.090 3.820 1.00 0.00 C ATOM 163 CD ARG A 14 -8.258 2.030 5.176 1.00 0.00 C ATOM 164 NE ARG A 14 -9.146 3.203 5.337 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.680 3.586 6.505 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.420 2.891 7.621 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.475 4.664 6.557 1.00 0.00 N ATOM 0 H ARG A 14 -6.059 -1.500 2.430 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.244 1.305 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.306 0.477 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.386 -0.053 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.562 2.530 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.109 2.739 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.839 1.111 5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.521 2.009 5.978 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.365 3.754 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.816 2.070 7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.827 3.183 8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.674 5.193 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.881 4.956 7.446 1.00 0.00 H new ATOM 181 N LEU A 15 -4.034 1.680 2.602 1.00 0.00 N ATOM 182 CA LEU A 15 -2.816 2.067 3.293 1.00 0.00 C ATOM 183 C LEU A 15 -3.103 3.277 4.184 1.00 0.00 C ATOM 184 O LEU A 15 -3.356 4.373 3.686 1.00 0.00 O ATOM 185 CB LEU A 15 -1.682 2.295 2.292 1.00 0.00 C ATOM 186 CG LEU A 15 -1.184 1.054 1.549 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.300 1.444 0.362 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.472 0.092 2.502 1.00 0.00 C ATOM 0 H LEU A 15 -4.119 2.044 1.653 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.476 1.263 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.016 3.026 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.840 2.739 2.822 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.049 0.527 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.041 0.544 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.873 2.060 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.562 2.007 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.128 -0.781 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.383 0.594 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.163 -0.223 3.284 1.00 0.00 H new ATOM 200 N VAL A 16 -3.055 3.038 5.486 1.00 0.00 N ATOM 201 CA VAL A 16 -3.306 4.095 6.451 1.00 0.00 C ATOM 202 C VAL A 16 -1.972 4.627 6.977 1.00 0.00 C ATOM 203 O VAL A 16 -1.148 3.862 7.477 1.00 0.00 O ATOM 204 CB VAL A 16 -4.225 3.582 7.562 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.313 4.589 8.710 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.615 3.251 7.014 1.00 0.00 C ATOM 0 H VAL A 16 -2.846 2.128 5.896 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.824 4.929 5.978 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.793 2.662 7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.972 4.200 9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.319 4.753 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.710 5.533 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.248 2.889 7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.058 4.147 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.530 2.481 6.247 1.00 0.00 H new ATOM 216 N PHE A 17 -1.800 5.934 6.847 1.00 0.00 N ATOM 217 CA PHE A 17 -0.580 6.578 7.303 1.00 0.00 C ATOM 218 C PHE A 17 -0.649 6.886 8.800 1.00 0.00 C ATOM 219 O PHE A 17 -1.073 7.971 9.195 1.00 0.00 O ATOM 220 CB PHE A 17 -0.451 7.891 6.529 1.00 0.00 C ATOM 221 CG PHE A 17 0.268 7.754 5.185 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.618 7.600 5.148 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.445 7.785 4.027 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.285 7.472 3.901 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.221 7.657 2.780 1.00 0.00 C ATOM 226 CZ PHE A 17 1.572 7.504 2.743 1.00 0.00 C ATOM 0 H PHE A 17 -2.486 6.565 6.432 1.00 0.00 H new ATOM 0 HA PHE A 17 0.273 5.921 7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.447 8.298 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.086 8.612 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.184 7.575 6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.518 7.907 4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.358 7.349 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.345 7.681 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.079 7.408 1.794 1.00 0.00 H new ATOM 236 N VAL A 18 -0.227 5.912 9.592 1.00 0.00 N ATOM 237 CA VAL A 18 -0.236 6.066 11.037 1.00 0.00 C ATOM 238 C VAL A 18 0.896 7.008 11.453 1.00 0.00 C ATOM 239 O VAL A 18 0.762 7.755 12.421 1.00 0.00 O ATOM 240 CB VAL A 18 -0.149 4.694 11.710 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.481 3.948 11.606 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.992 3.865 11.119 1.00 0.00 C ATOM 0 H VAL A 18 0.123 5.013 9.261 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.172 6.517 11.367 1.00 0.00 H new ATOM 0 HB VAL A 18 0.065 4.852 12.767 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.393 2.976 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.263 4.529 12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.738 3.807 10.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.032 2.895 11.615 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.822 3.720 10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.937 4.388 11.268 1.00 0.00 H new ATOM 252 N LYS A 19 1.984 6.942 10.700 1.00 0.00 N ATOM 253 CA LYS A 19 3.138 7.780 10.978 1.00 0.00 C ATOM 254 C LYS A 19 3.630 8.411 9.674 1.00 0.00 C ATOM 255 O LYS A 19 2.961 8.323 8.646 1.00 0.00 O ATOM 256 CB LYS A 19 4.213 6.982 11.719 1.00 0.00 C ATOM 257 CG LYS A 19 3.694 6.485 13.069 1.00 0.00 C ATOM 258 CD LYS A 19 4.686 6.803 14.189 1.00 0.00 C ATOM 259 CE LYS A 19 5.002 5.554 15.013 1.00 0.00 C ATOM 260 NZ LYS A 19 4.966 5.864 16.460 1.00 0.00 N ATOM 0 H LYS A 19 2.091 6.321 9.898 1.00 0.00 H new ATOM 0 HA LYS A 19 2.864 8.598 11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.525 6.133 11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.094 7.606 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.733 6.951 13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.524 5.409 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.606 7.204 13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.272 7.576 14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.281 4.769 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.986 5.171 14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.183 5.005 17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.671 6.598 16.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.019 6.208 16.718 1.00 0.00 H new ATOM 274 N GLY A 20 4.796 9.035 9.759 1.00 0.00 N ATOM 275 CA GLY A 20 5.386 9.681 8.598 1.00 0.00 C ATOM 276 C GLY A 20 4.826 11.093 8.414 1.00 0.00 C ATOM 277 O GLY A 20 4.126 11.606 9.285 1.00 0.00 O ATOM 0 H GLY A 20 5.348 9.107 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.469 9.727 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.186 9.087 7.706 1.00 0.00 H new ATOM 281 N PRO A 21 5.166 11.698 7.244 1.00 0.00 N ATOM 282 CA PRO A 21 4.706 13.040 6.934 1.00 0.00 C ATOM 283 C PRO A 21 3.227 13.036 6.543 1.00 0.00 C ATOM 284 O PRO A 21 2.552 14.061 6.640 1.00 0.00 O ATOM 285 CB PRO A 21 5.615 13.519 5.814 1.00 0.00 C ATOM 286 CG PRO A 21 6.243 12.268 5.223 1.00 0.00 C ATOM 287 CD PRO A 21 5.994 11.121 6.189 1.00 0.00 C ATOM 0 HA PRO A 21 4.763 13.712 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.050 14.066 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.379 14.197 6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.809 12.047 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.312 12.413 5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.487 10.292 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.930 10.730 6.589 1.00 0.00 H new ATOM 295 N ARG A 22 2.765 11.873 6.109 1.00 0.00 N ATOM 296 CA ARG A 22 1.379 11.722 5.702 1.00 0.00 C ATOM 297 C ARG A 22 0.531 11.230 6.878 1.00 0.00 C ATOM 298 O ARG A 22 -0.663 10.978 6.724 1.00 0.00 O ATOM 299 CB ARG A 22 1.249 10.734 4.541 1.00 0.00 C ATOM 300 CG ARG A 22 1.268 11.464 3.196 1.00 0.00 C ATOM 301 CD ARG A 22 2.057 10.670 2.153 1.00 0.00 C ATOM 302 NE ARG A 22 1.222 10.443 0.952 1.00 0.00 N ATOM 303 CZ ARG A 22 1.015 11.359 -0.004 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.581 12.569 0.095 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.242 11.064 -1.058 1.00 0.00 N ATOM 0 H ARG A 22 3.327 11.025 6.030 1.00 0.00 H new ATOM 0 HA ARG A 22 1.022 12.698 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.065 10.013 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.321 10.171 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.247 11.616 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.713 12.451 3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.962 11.212 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.372 9.715 2.573 1.00 0.00 H new ATOM 0 HE ARG A 22 0.776 9.532 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.169 12.793 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.424 13.267 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.189 10.142 -1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.084 11.761 -1.786 1.00 0.00 H new ATOM 319 N GLU A 23 1.183 11.109 8.025 1.00 0.00 N ATOM 320 CA GLU A 23 0.504 10.652 9.226 1.00 0.00 C ATOM 321 C GLU A 23 -0.894 11.267 9.313 1.00 0.00 C ATOM 322 O GLU A 23 -1.034 12.480 9.458 1.00 0.00 O ATOM 323 CB GLU A 23 1.324 10.976 10.476 1.00 0.00 C ATOM 324 CG GLU A 23 0.566 10.584 11.746 1.00 0.00 C ATOM 325 CD GLU A 23 0.175 11.823 12.555 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.350 12.768 11.927 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.409 11.796 13.783 1.00 0.00 O ATOM 0 H GLU A 23 2.173 11.319 8.148 1.00 0.00 H new ATOM 0 HA GLU A 23 0.400 9.568 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.276 10.446 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.553 12.041 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.329 10.021 11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.186 9.928 12.356 1.00 0.00 H new ATOM 334 N GLY A 24 -1.893 10.402 9.220 1.00 0.00 N ATOM 335 CA GLY A 24 -3.275 10.845 9.285 1.00 0.00 C ATOM 336 C GLY A 24 -3.965 10.693 7.928 1.00 0.00 C ATOM 337 O GLY A 24 -5.135 11.043 7.780 1.00 0.00 O ATOM 0 H GLY A 24 -1.773 9.396 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.811 10.265 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.312 11.888 9.601 1.00 0.00 H new ATOM 341 N ASP A 25 -3.211 10.171 6.972 1.00 0.00 N ATOM 342 CA ASP A 25 -3.736 9.968 5.633 1.00 0.00 C ATOM 343 C ASP A 25 -4.065 8.487 5.437 1.00 0.00 C ATOM 344 O ASP A 25 -3.552 7.633 6.159 1.00 0.00 O ATOM 345 CB ASP A 25 -2.707 10.368 4.572 1.00 0.00 C ATOM 346 CG ASP A 25 -2.580 11.873 4.330 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.783 12.624 5.308 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.283 12.238 3.172 1.00 0.00 O ATOM 0 H ASP A 25 -2.241 9.883 7.098 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.627 10.586 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.733 9.979 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.971 9.885 3.631 1.00 0.00 H new ATOM 353 N ALA A 26 -4.918 8.227 4.458 1.00 0.00 N ATOM 354 CA ALA A 26 -5.322 6.864 4.158 1.00 0.00 C ATOM 355 C ALA A 26 -5.809 6.787 2.710 1.00 0.00 C ATOM 356 O ALA A 26 -6.599 7.621 2.272 1.00 0.00 O ATOM 357 CB ALA A 26 -6.391 6.416 5.157 1.00 0.00 C ATOM 0 H ALA A 26 -5.341 8.938 3.861 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.477 6.183 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.694 5.393 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.986 6.460 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.256 7.075 5.084 1.00 0.00 H new ATOM 363 N LEU A 27 -5.317 5.778 2.006 1.00 0.00 N ATOM 364 CA LEU A 27 -5.692 5.581 0.617 1.00 0.00 C ATOM 365 C LEU A 27 -6.426 4.246 0.475 1.00 0.00 C ATOM 366 O LEU A 27 -6.460 3.450 1.412 1.00 0.00 O ATOM 367 CB LEU A 27 -4.468 5.709 -0.292 1.00 0.00 C ATOM 368 CG LEU A 27 -3.620 6.968 -0.102 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.127 6.635 -0.139 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.994 8.041 -1.127 1.00 0.00 C ATOM 0 H LEU A 27 -4.661 5.088 2.372 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.383 6.361 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.831 4.839 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.805 5.675 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.834 7.378 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.547 7.548 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.891 5.932 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.878 6.188 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.376 8.925 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.828 7.657 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.045 8.306 -1.009 1.00 0.00 H new ATOM 382 N ASP A 28 -6.997 4.043 -0.704 1.00 0.00 N ATOM 383 CA ASP A 28 -7.728 2.818 -0.980 1.00 0.00 C ATOM 384 C ASP A 28 -7.594 2.473 -2.464 1.00 0.00 C ATOM 385 O ASP A 28 -7.755 3.339 -3.323 1.00 0.00 O ATOM 386 CB ASP A 28 -9.216 2.982 -0.665 1.00 0.00 C ATOM 387 CG ASP A 28 -10.066 1.729 -0.885 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.761 0.714 -0.222 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.000 1.815 -1.710 1.00 0.00 O ATOM 0 H ASP A 28 -6.968 4.706 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.312 2.028 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.320 3.295 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.616 3.787 -1.282 1.00 0.00 H new ATOM 394 N TYR A 29 -7.302 1.207 -2.721 1.00 0.00 N ATOM 395 CA TYR A 29 -7.145 0.737 -4.087 1.00 0.00 C ATOM 396 C TYR A 29 -7.877 -0.590 -4.298 1.00 0.00 C ATOM 397 O TYR A 29 -8.167 -1.303 -3.338 1.00 0.00 O ATOM 398 CB TYR A 29 -5.644 0.514 -4.286 1.00 0.00 C ATOM 399 CG TYR A 29 -4.804 1.787 -4.162 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.678 2.638 -5.242 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.173 2.085 -2.971 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.887 3.836 -5.125 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.383 3.283 -2.855 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.279 4.099 -3.938 1.00 0.00 C ATOM 405 OH TYR A 29 -2.532 5.231 -3.828 1.00 0.00 O ATOM 0 H TYR A 29 -7.170 0.492 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.558 1.459 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.295 -0.212 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.479 0.077 -5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.172 2.406 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.272 1.419 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.779 4.510 -5.962 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.884 3.528 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.800 5.723 -3.024 1.00 0.00 H new ATOM 415 N LYS A 30 -8.156 -0.881 -5.560 1.00 0.00 N ATOM 416 CA LYS A 30 -8.849 -2.109 -5.909 1.00 0.00 C ATOM 417 C LYS A 30 -7.858 -3.274 -5.884 1.00 0.00 C ATOM 418 O LYS A 30 -6.646 -3.063 -5.884 1.00 0.00 O ATOM 419 CB LYS A 30 -9.579 -1.951 -7.245 1.00 0.00 C ATOM 420 CG LYS A 30 -8.664 -2.317 -8.416 1.00 0.00 C ATOM 421 CD LYS A 30 -8.838 -1.335 -9.576 1.00 0.00 C ATOM 422 CE LYS A 30 -9.678 -1.953 -10.696 1.00 0.00 C ATOM 423 NZ LYS A 30 -11.110 -1.628 -10.509 1.00 0.00 N ATOM 0 H LYS A 30 -7.915 -0.287 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.622 -2.332 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.464 -2.587 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.924 -0.923 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.625 -2.314 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.888 -3.329 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.317 -0.424 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.861 -1.049 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.337 -1.580 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.543 -3.035 -10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.666 -2.055 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.435 -2.005 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.236 -0.596 -10.522 1.00 0.00 H new ATOM 437 N PRO A 31 -8.425 -4.510 -5.861 1.00 0.00 N ATOM 438 CA PRO A 31 -7.604 -5.709 -5.835 1.00 0.00 C ATOM 439 C PRO A 31 -6.986 -5.980 -7.208 1.00 0.00 C ATOM 440 O PRO A 31 -7.685 -5.977 -8.220 1.00 0.00 O ATOM 441 CB PRO A 31 -8.539 -6.816 -5.376 1.00 0.00 C ATOM 442 CG PRO A 31 -9.948 -6.295 -5.609 1.00 0.00 C ATOM 443 CD PRO A 31 -9.856 -4.798 -5.859 1.00 0.00 C ATOM 0 HA PRO A 31 -6.752 -5.621 -5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.364 -7.733 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.379 -7.051 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.404 -6.797 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.579 -6.500 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.316 -4.526 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.372 -4.234 -5.082 1.00 0.00 H new ATOM 451 N GLY A 32 -5.680 -6.208 -7.199 1.00 0.00 N ATOM 452 CA GLY A 32 -4.960 -6.480 -8.431 1.00 0.00 C ATOM 453 C GLY A 32 -4.365 -5.196 -9.013 1.00 0.00 C ATOM 454 O GLY A 32 -3.993 -5.156 -10.185 1.00 0.00 O ATOM 0 H GLY A 32 -5.103 -6.210 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.164 -7.200 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.634 -6.935 -9.157 1.00 0.00 H new ATOM 458 N SER A 33 -4.294 -4.178 -8.168 1.00 0.00 N ATOM 459 CA SER A 33 -3.751 -2.896 -8.584 1.00 0.00 C ATOM 460 C SER A 33 -2.441 -2.618 -7.844 1.00 0.00 C ATOM 461 O SER A 33 -2.444 -2.384 -6.637 1.00 0.00 O ATOM 462 CB SER A 33 -4.753 -1.767 -8.334 1.00 0.00 C ATOM 463 OG SER A 33 -5.500 -1.448 -9.504 1.00 0.00 O ATOM 0 H SER A 33 -4.604 -4.215 -7.197 1.00 0.00 H new ATOM 0 HA SER A 33 -3.553 -2.939 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.436 -2.058 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.221 -0.880 -7.990 1.00 0.00 H new ATOM 0 HG SER A 33 -5.748 -0.500 -9.485 1.00 0.00 H new ATOM 469 N THR A 34 -1.353 -2.653 -8.600 1.00 0.00 N ATOM 470 CA THR A 34 -0.039 -2.407 -8.031 1.00 0.00 C ATOM 471 C THR A 34 0.053 -0.975 -7.500 1.00 0.00 C ATOM 472 O THR A 34 -0.213 -0.021 -8.229 1.00 0.00 O ATOM 473 CB THR A 34 1.007 -2.727 -9.101 1.00 0.00 C ATOM 474 OG1 THR A 34 0.865 -4.128 -9.316 1.00 0.00 O ATOM 475 CG2 THR A 34 2.439 -2.573 -8.584 1.00 0.00 C ATOM 0 H THR A 34 -1.355 -2.848 -9.601 1.00 0.00 H new ATOM 0 HA THR A 34 0.147 -3.051 -7.172 1.00 0.00 H new ATOM 0 HB THR A 34 0.859 -2.073 -9.961 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.505 -4.421 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.142 -2.812 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.599 -1.546 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.598 -3.251 -7.746 1.00 0.00 H new ATOM 483 N ILE A 35 0.431 -0.870 -6.235 1.00 0.00 N ATOM 484 CA ILE A 35 0.561 0.430 -5.598 1.00 0.00 C ATOM 485 C ILE A 35 2.037 0.699 -5.296 1.00 0.00 C ATOM 486 O ILE A 35 2.549 0.278 -4.260 1.00 0.00 O ATOM 487 CB ILE A 35 -0.344 0.517 -4.368 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.815 0.348 -4.756 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.101 1.817 -3.599 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.458 -0.803 -3.979 1.00 0.00 C ATOM 0 H ILE A 35 0.652 -1.664 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 35 0.223 1.219 -6.270 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.090 -0.305 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.356 1.273 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.893 0.157 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.757 1.853 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.938 1.857 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.310 2.668 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.503 -0.902 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.930 -1.731 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.400 -0.598 -2.910 1.00 0.00 H new ATOM 502 N ARG A 36 2.679 1.399 -6.219 1.00 0.00 N ATOM 503 CA ARG A 36 4.085 1.729 -6.065 1.00 0.00 C ATOM 504 C ARG A 36 4.255 2.873 -5.062 1.00 0.00 C ATOM 505 O ARG A 36 3.858 4.005 -5.334 1.00 0.00 O ATOM 506 CB ARG A 36 4.706 2.137 -7.402 1.00 0.00 C ATOM 507 CG ARG A 36 4.565 1.017 -8.436 1.00 0.00 C ATOM 508 CD ARG A 36 5.934 0.588 -8.969 1.00 0.00 C ATOM 509 NE ARG A 36 6.509 1.661 -9.810 1.00 0.00 N ATOM 510 CZ ARG A 36 7.656 1.548 -10.492 1.00 0.00 C ATOM 511 NH1 ARG A 36 8.358 0.408 -10.437 1.00 0.00 N ATOM 512 NH2 ARG A 36 8.102 2.574 -11.229 1.00 0.00 N ATOM 0 H ARG A 36 2.251 1.747 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 36 4.595 0.839 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.222 3.041 -7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.760 2.375 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.062 0.162 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.939 1.356 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.604 0.368 -8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.836 -0.328 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 36 6.000 2.542 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.019 -0.373 -9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.232 0.321 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.568 3.442 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.976 2.487 -11.748 1.00 0.00 H new ATOM 526 N VAL A 37 4.845 2.537 -3.924 1.00 0.00 N ATOM 527 CA VAL A 37 5.072 3.522 -2.880 1.00 0.00 C ATOM 528 C VAL A 37 6.528 3.988 -2.932 1.00 0.00 C ATOM 529 O VAL A 37 7.440 3.223 -2.619 1.00 0.00 O ATOM 530 CB VAL A 37 4.678 2.943 -1.520 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.778 4.004 -0.422 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.275 2.335 -1.569 1.00 0.00 C ATOM 0 H VAL A 37 5.173 1.597 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 37 4.444 4.399 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 37 5.381 2.145 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.492 3.566 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.803 4.370 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.110 4.833 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.019 1.930 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.554 3.105 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.251 1.535 -2.309 1.00 0.00 H new ATOM 542 N GLY A 38 6.702 5.239 -3.331 1.00 0.00 N ATOM 543 CA GLY A 38 8.032 5.816 -3.428 1.00 0.00 C ATOM 544 C GLY A 38 8.086 7.187 -2.750 1.00 0.00 C ATOM 545 O GLY A 38 7.330 7.452 -1.817 1.00 0.00 O ATOM 0 H GLY A 38 5.944 5.870 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.757 5.148 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.314 5.913 -4.476 1.00 0.00 H new ATOM 549 N ARG A 39 8.988 8.021 -3.246 1.00 0.00 N ATOM 550 CA ARG A 39 9.151 9.358 -2.700 1.00 0.00 C ATOM 551 C ARG A 39 8.561 10.397 -3.655 1.00 0.00 C ATOM 552 O ARG A 39 8.051 11.428 -3.218 1.00 0.00 O ATOM 553 CB ARG A 39 10.628 9.678 -2.458 1.00 0.00 C ATOM 554 CG ARG A 39 10.819 11.157 -2.115 1.00 0.00 C ATOM 555 CD ARG A 39 12.235 11.421 -1.600 1.00 0.00 C ATOM 556 NE ARG A 39 12.880 12.477 -2.411 1.00 0.00 N ATOM 557 CZ ARG A 39 14.083 13.003 -2.141 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.779 12.573 -1.079 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.590 13.958 -2.933 1.00 0.00 N ATOM 0 H ARG A 39 9.614 7.797 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 39 8.622 9.394 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.009 9.060 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.208 9.429 -3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.630 11.766 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.092 11.456 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.199 11.725 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.824 10.505 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 39 12.378 12.827 -3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.393 11.846 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.694 12.973 -0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.060 14.285 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.505 14.358 -2.727 1.00 0.00 H new ATOM 573 N ILE A 40 8.648 10.089 -4.940 1.00 0.00 N ATOM 574 CA ILE A 40 8.129 10.984 -5.961 1.00 0.00 C ATOM 575 C ILE A 40 6.776 10.462 -6.449 1.00 0.00 C ATOM 576 O ILE A 40 6.587 9.255 -6.593 1.00 0.00 O ATOM 577 CB ILE A 40 9.155 11.174 -7.079 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.615 9.825 -7.637 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.331 12.030 -6.605 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.344 10.003 -8.970 1.00 0.00 C ATOM 0 H ILE A 40 9.070 9.232 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 40 7.958 11.977 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 40 8.674 11.713 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.275 9.337 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.754 9.171 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.046 12.149 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.967 13.010 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.820 11.542 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.660 9.029 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.674 10.469 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.218 10.637 -8.825 1.00 0.00 H new ATOM 653 N GLU A 45 2.750 5.458 -7.333 1.00 0.00 N ATOM 654 CA GLU A 45 1.419 5.870 -6.921 1.00 0.00 C ATOM 655 C GLU A 45 1.498 6.746 -5.669 1.00 0.00 C ATOM 656 O GLU A 45 1.123 7.917 -5.701 1.00 0.00 O ATOM 657 CB GLU A 45 0.517 4.657 -6.686 1.00 0.00 C ATOM 658 CG GLU A 45 0.216 3.935 -8.001 1.00 0.00 C ATOM 659 CD GLU A 45 -0.237 4.923 -9.078 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.109 5.757 -8.753 1.00 0.00 O ATOM 661 OE2 GLU A 45 0.300 4.822 -10.202 1.00 0.00 O ATOM 0 HA GLU A 45 0.977 6.459 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.000 3.969 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.415 4.977 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.105 3.404 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.560 3.186 -7.840 1.00 0.00 H new ATOM 668 N ILE A 46 1.988 6.144 -4.595 1.00 0.00 N ATOM 669 CA ILE A 46 2.121 6.855 -3.335 1.00 0.00 C ATOM 670 C ILE A 46 3.533 7.434 -3.227 1.00 0.00 C ATOM 671 O ILE A 46 4.509 6.765 -3.562 1.00 0.00 O ATOM 672 CB ILE A 46 1.738 5.946 -2.165 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.326 5.385 -2.346 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.898 6.675 -0.829 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.021 4.402 -1.225 1.00 0.00 C ATOM 0 H ILE A 46 2.298 5.172 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 46 1.428 7.696 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 46 2.423 5.098 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.396 6.202 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.251 4.883 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.619 6.007 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.936 6.985 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.253 7.554 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.030 4.018 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.688 3.574 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.031 4.913 -0.264 1.00 0.00 H new ATOM 687 N ALA A 47 3.597 8.671 -2.758 1.00 0.00 N ATOM 688 CA ALA A 47 4.873 9.348 -2.602 1.00 0.00 C ATOM 689 C ALA A 47 4.935 9.997 -1.218 1.00 0.00 C ATOM 690 O ALA A 47 4.037 10.746 -0.839 1.00 0.00 O ATOM 691 CB ALA A 47 5.054 10.364 -3.732 1.00 0.00 C ATOM 0 H ALA A 47 2.785 9.223 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 47 5.696 8.636 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.011 10.872 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.032 9.848 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.248 11.097 -3.695 1.00 0.00 H new ATOM 697 N ILE A 48 6.005 9.686 -0.502 1.00 0.00 N ATOM 698 CA ILE A 48 6.197 10.229 0.832 1.00 0.00 C ATOM 699 C ILE A 48 7.478 11.065 0.859 1.00 0.00 C ATOM 700 O ILE A 48 8.554 10.569 0.528 1.00 0.00 O ATOM 701 CB ILE A 48 6.170 9.111 1.876 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.814 8.404 1.887 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.552 9.642 3.259 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.987 6.886 1.972 1.00 0.00 C ATOM 0 H ILE A 48 6.749 9.065 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 48 5.375 10.896 1.093 1.00 0.00 H new ATOM 0 HB ILE A 48 6.918 8.368 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.224 8.754 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.259 8.660 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.525 8.827 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.557 10.061 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.846 10.417 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.007 6.408 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.556 6.536 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.521 6.631 2.888 1.00 0.00 H new ATOM 716 N LYS A 49 7.320 12.320 1.255 1.00 0.00 N ATOM 717 CA LYS A 49 8.451 13.229 1.329 1.00 0.00 C ATOM 718 C LYS A 49 9.048 13.180 2.737 1.00 0.00 C ATOM 719 O LYS A 49 9.049 14.183 3.449 1.00 0.00 O ATOM 720 CB LYS A 49 8.039 14.634 0.884 1.00 0.00 C ATOM 721 CG LYS A 49 7.880 14.703 -0.636 1.00 0.00 C ATOM 722 CD LYS A 49 9.096 15.367 -1.285 1.00 0.00 C ATOM 723 CE LYS A 49 9.535 14.603 -2.536 1.00 0.00 C ATOM 724 NZ LYS A 49 9.869 15.545 -3.628 1.00 0.00 N ATOM 0 H LYS A 49 6.426 12.728 1.528 1.00 0.00 H new ATOM 0 HA LYS A 49 9.235 12.918 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.101 14.911 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.788 15.356 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.752 13.698 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.979 15.263 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.855 16.397 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.918 15.405 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.401 13.983 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.739 13.932 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.165 15.010 -4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.033 16.119 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.644 16.168 -3.324 1.00 0.00 H new ATOM 738 N ASP A 50 9.541 12.004 3.096 1.00 0.00 N ATOM 739 CA ASP A 50 10.140 11.811 4.405 1.00 0.00 C ATOM 740 C ASP A 50 11.661 11.733 4.260 1.00 0.00 C ATOM 741 O ASP A 50 12.383 11.721 5.255 1.00 0.00 O ATOM 742 CB ASP A 50 9.658 10.507 5.045 1.00 0.00 C ATOM 743 CG ASP A 50 10.504 10.012 6.220 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.829 10.858 7.081 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.806 8.799 6.231 1.00 0.00 O ATOM 0 H ASP A 50 9.538 11.175 2.502 1.00 0.00 H new ATOM 0 HA ASP A 50 9.849 12.651 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.633 10.645 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.636 9.731 4.280 1.00 0.00 H new ATOM 750 N ALA A 51 12.102 11.682 3.012 1.00 0.00 N ATOM 751 CA ALA A 51 13.524 11.606 2.723 1.00 0.00 C ATOM 752 C ALA A 51 13.979 10.148 2.807 1.00 0.00 C ATOM 753 O ALA A 51 14.594 9.631 1.876 1.00 0.00 O ATOM 754 CB ALA A 51 14.290 12.513 3.688 1.00 0.00 C ATOM 0 H ALA A 51 11.500 11.692 2.189 1.00 0.00 H new ATOM 0 HA ALA A 51 13.730 11.958 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.357 12.456 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.950 13.542 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.110 12.188 4.713 1.00 0.00 H new ATOM 760 N GLY A 52 13.659 9.525 3.932 1.00 0.00 N ATOM 761 CA GLY A 52 14.028 8.137 4.150 1.00 0.00 C ATOM 762 C GLY A 52 13.512 7.248 3.016 1.00 0.00 C ATOM 763 O GLY A 52 13.985 6.127 2.837 1.00 0.00 O ATOM 0 H GLY A 52 13.148 9.956 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.112 8.052 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.620 7.793 5.101 1.00 0.00 H new ATOM 767 N ILE A 53 12.550 7.783 2.278 1.00 0.00 N ATOM 768 CA ILE A 53 11.966 7.053 1.166 1.00 0.00 C ATOM 769 C ILE A 53 12.575 7.555 -0.144 1.00 0.00 C ATOM 770 O ILE A 53 12.759 8.758 -0.327 1.00 0.00 O ATOM 771 CB ILE A 53 10.439 7.143 1.210 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.900 6.673 2.562 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.811 6.375 0.044 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.724 7.540 3.015 1.00 0.00 C ATOM 0 H ILE A 53 12.161 8.714 2.429 1.00 0.00 H new ATOM 0 HA ILE A 53 12.202 5.991 1.240 1.00 0.00 H new ATOM 0 HB ILE A 53 10.155 8.189 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.583 5.633 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.694 6.713 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.725 6.455 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.159 6.797 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.101 5.326 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.360 7.184 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.051 8.575 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.922 7.479 2.279 1.00 0.00 H new ATOM 786 N SER A 54 12.870 6.609 -1.023 1.00 0.00 N ATOM 787 CA SER A 54 13.454 6.940 -2.312 1.00 0.00 C ATOM 788 C SER A 54 12.373 6.931 -3.395 1.00 0.00 C ATOM 789 O SER A 54 11.315 6.331 -3.215 1.00 0.00 O ATOM 790 CB SER A 54 14.577 5.967 -2.674 1.00 0.00 C ATOM 791 OG SER A 54 15.508 6.541 -3.588 1.00 0.00 O ATOM 0 H SER A 54 12.716 5.613 -0.868 1.00 0.00 H new ATOM 0 HA SER A 54 13.884 7.940 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.100 5.663 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.148 5.065 -3.112 1.00 0.00 H new ATOM 0 HG SER A 54 16.210 5.889 -3.793 1.00 0.00 H new ATOM 797 N THR A 55 12.677 7.603 -4.495 1.00 0.00 N ATOM 798 CA THR A 55 11.744 7.680 -5.607 1.00 0.00 C ATOM 799 C THR A 55 11.133 6.305 -5.886 1.00 0.00 C ATOM 800 O THR A 55 9.965 6.205 -6.256 1.00 0.00 O ATOM 801 CB THR A 55 12.487 8.269 -6.807 1.00 0.00 C ATOM 802 OG1 THR A 55 13.715 7.547 -6.845 1.00 0.00 O ATOM 803 CG2 THR A 55 12.915 9.720 -6.576 1.00 0.00 C ATOM 0 H THR A 55 13.556 8.099 -4.641 1.00 0.00 H new ATOM 0 HA THR A 55 10.903 8.334 -5.374 1.00 0.00 H new ATOM 0 HB THR A 55 11.850 8.214 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.258 7.865 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.438 10.090 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.034 10.335 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.579 9.771 -5.713 1.00 0.00 H new ATOM 811 N LYS A 56 11.952 5.280 -5.697 1.00 0.00 N ATOM 812 CA LYS A 56 11.506 3.916 -5.924 1.00 0.00 C ATOM 813 C LYS A 56 11.917 3.045 -4.735 1.00 0.00 C ATOM 814 O LYS A 56 12.771 2.170 -4.867 1.00 0.00 O ATOM 815 CB LYS A 56 12.021 3.401 -7.270 1.00 0.00 C ATOM 816 CG LYS A 56 13.500 3.745 -7.459 1.00 0.00 C ATOM 817 CD LYS A 56 13.882 3.727 -8.941 1.00 0.00 C ATOM 818 CE LYS A 56 13.994 5.149 -9.495 1.00 0.00 C ATOM 819 NZ LYS A 56 14.361 5.119 -10.928 1.00 0.00 N ATOM 0 H LYS A 56 12.921 5.367 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 56 10.419 3.877 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.885 2.321 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.436 3.839 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.705 4.730 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.116 3.031 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.831 3.207 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.135 3.170 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.046 5.671 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.743 5.707 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.433 6.092 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.277 4.639 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.632 4.605 -11.462 1.00 0.00 H new ATOM 833 N HIS A 57 11.289 3.316 -3.600 1.00 0.00 N ATOM 834 CA HIS A 57 11.578 2.568 -2.388 1.00 0.00 C ATOM 835 C HIS A 57 11.107 1.122 -2.552 1.00 0.00 C ATOM 836 O HIS A 57 11.921 0.200 -2.585 1.00 0.00 O ATOM 837 CB HIS A 57 10.965 3.256 -1.166 1.00 0.00 C ATOM 838 CG HIS A 57 11.356 2.630 0.151 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.882 3.362 1.202 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.292 1.336 0.577 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.120 2.535 2.209 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.755 1.280 1.820 1.00 0.00 N ATOM 0 H HIS A 57 10.581 4.043 -3.494 1.00 0.00 H new ATOM 0 HA HIS A 57 12.655 2.546 -2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.266 4.304 -1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.879 3.237 -1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.927 0.499 0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.531 2.807 3.170 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.826 0.437 2.390 1.00 0.00 H new ATOM 850 N LEU A 58 9.795 0.968 -2.652 1.00 0.00 N ATOM 851 CA LEU A 58 9.206 -0.350 -2.812 1.00 0.00 C ATOM 852 C LEU A 58 7.907 -0.230 -3.611 1.00 0.00 C ATOM 853 O LEU A 58 7.428 0.875 -3.861 1.00 0.00 O ATOM 854 CB LEU A 58 9.032 -1.028 -1.452 1.00 0.00 C ATOM 855 CG LEU A 58 8.292 -0.215 -0.387 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.032 0.431 -0.968 1.00 0.00 C ATOM 857 CD2 LEU A 58 7.981 -1.074 0.841 1.00 0.00 C ATOM 0 H LEU A 58 9.123 1.735 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 58 9.872 -0.998 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.497 -1.966 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.019 -1.282 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 58 8.946 0.592 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.525 1.003 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.308 1.096 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.364 -0.345 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.455 -0.472 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.355 -1.916 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.911 -1.446 1.270 1.00 0.00 H new ATOM 869 N ARG A 59 7.373 -1.383 -3.988 1.00 0.00 N ATOM 870 CA ARG A 59 6.138 -1.420 -4.753 1.00 0.00 C ATOM 871 C ARG A 59 5.182 -2.462 -4.167 1.00 0.00 C ATOM 872 O ARG A 59 5.604 -3.556 -3.794 1.00 0.00 O ATOM 873 CB ARG A 59 6.409 -1.755 -6.221 1.00 0.00 C ATOM 874 CG ARG A 59 6.634 -3.257 -6.408 1.00 0.00 C ATOM 875 CD ARG A 59 7.317 -3.547 -7.746 1.00 0.00 C ATOM 876 NE ARG A 59 8.032 -4.841 -7.680 1.00 0.00 N ATOM 877 CZ ARG A 59 8.635 -5.420 -8.727 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.614 -4.824 -9.927 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.260 -6.596 -8.574 1.00 0.00 N ATOM 0 H ARG A 59 7.773 -2.298 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 59 5.683 -0.431 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.567 -1.431 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.285 -1.206 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.247 -3.641 -5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.679 -3.780 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.575 -3.572 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.017 -2.747 -7.987 1.00 0.00 H new ATOM 0 HE ARG A 59 8.068 -5.322 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.139 -3.929 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.073 -5.265 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.276 -7.050 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.719 -7.037 -9.371 1.00 0.00 H new ATOM 893 N ILE A 60 3.913 -2.086 -4.105 1.00 0.00 N ATOM 894 CA ILE A 60 2.895 -2.974 -3.571 1.00 0.00 C ATOM 895 C ILE A 60 2.105 -3.590 -4.727 1.00 0.00 C ATOM 896 O ILE A 60 1.773 -2.903 -5.693 1.00 0.00 O ATOM 897 CB ILE A 60 2.022 -2.238 -2.553 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.832 -1.850 -1.315 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.785 -3.063 -2.193 1.00 0.00 C ATOM 900 CD1 ILE A 60 1.977 -1.053 -0.327 1.00 0.00 C ATOM 0 H ILE A 60 3.567 -1.178 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 60 3.356 -3.797 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 60 1.670 -1.313 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.213 -2.748 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.697 -1.258 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.182 -2.517 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.195 -3.246 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.095 -4.015 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.577 -0.790 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.618 -0.143 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.126 -1.657 -0.012 1.00 0.00 H new ATOM 912 N GLU A 61 1.826 -4.878 -4.592 1.00 0.00 N ATOM 913 CA GLU A 61 1.081 -5.595 -5.613 1.00 0.00 C ATOM 914 C GLU A 61 0.239 -6.702 -4.977 1.00 0.00 C ATOM 915 O GLU A 61 0.450 -7.060 -3.820 1.00 0.00 O ATOM 916 CB GLU A 61 2.020 -6.163 -6.679 1.00 0.00 C ATOM 917 CG GLU A 61 3.006 -7.160 -6.066 1.00 0.00 C ATOM 918 CD GLU A 61 2.590 -8.601 -6.372 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.403 -8.912 -6.133 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.469 -9.358 -6.836 1.00 0.00 O ATOM 0 H GLU A 61 2.103 -5.444 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 61 0.409 -4.892 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.437 -6.655 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.568 -5.351 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.006 -6.975 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.054 -7.013 -4.987 1.00 0.00 H new ATOM 927 N SER A 62 -0.698 -7.214 -5.762 1.00 0.00 N ATOM 928 CA SER A 62 -1.573 -8.273 -5.290 1.00 0.00 C ATOM 929 C SER A 62 -1.521 -9.462 -6.251 1.00 0.00 C ATOM 930 O SER A 62 -1.345 -9.284 -7.455 1.00 0.00 O ATOM 931 CB SER A 62 -3.012 -7.774 -5.141 1.00 0.00 C ATOM 932 OG SER A 62 -3.917 -8.834 -4.844 1.00 0.00 O ATOM 0 H SER A 62 -0.870 -6.915 -6.722 1.00 0.00 H new ATOM 0 HA SER A 62 -1.224 -8.592 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.056 -7.027 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.322 -7.280 -6.062 1.00 0.00 H new ATOM 0 HG SER A 62 -3.571 -9.358 -4.092 1.00 0.00 H new ATOM 938 N ASP A 63 -1.677 -10.649 -5.683 1.00 0.00 N ATOM 939 CA ASP A 63 -1.650 -11.867 -6.474 1.00 0.00 C ATOM 940 C ASP A 63 -2.398 -12.973 -5.727 1.00 0.00 C ATOM 941 O ASP A 63 -2.595 -12.885 -4.516 1.00 0.00 O ATOM 942 CB ASP A 63 -0.214 -12.341 -6.706 1.00 0.00 C ATOM 943 CG ASP A 63 0.519 -11.645 -7.854 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.170 -11.286 -8.833 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.753 -11.487 -7.727 1.00 0.00 O ATOM 0 H ASP A 63 -1.823 -10.793 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.120 -11.655 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.355 -12.192 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.228 -13.413 -6.901 1.00 0.00 H new ATOM 950 N SER A 64 -2.794 -13.989 -6.479 1.00 0.00 N ATOM 951 CA SER A 64 -3.516 -15.110 -5.903 1.00 0.00 C ATOM 952 C SER A 64 -4.549 -14.605 -4.894 1.00 0.00 C ATOM 953 O SER A 64 -4.563 -15.040 -3.743 1.00 0.00 O ATOM 954 CB SER A 64 -2.558 -16.096 -5.233 1.00 0.00 C ATOM 955 OG SER A 64 -2.208 -17.173 -6.098 1.00 0.00 O ATOM 0 H SER A 64 -2.628 -14.059 -7.483 1.00 0.00 H new ATOM 0 HA SER A 64 -4.031 -15.635 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.654 -15.570 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.020 -16.493 -4.329 1.00 0.00 H new ATOM 0 HG SER A 64 -1.594 -17.779 -5.634 1.00 0.00 H new ATOM 961 N GLY A 65 -5.389 -13.693 -5.361 1.00 0.00 N ATOM 962 CA GLY A 65 -6.423 -13.124 -4.514 1.00 0.00 C ATOM 963 C GLY A 65 -5.859 -12.740 -3.144 1.00 0.00 C ATOM 964 O GLY A 65 -6.529 -12.903 -2.125 1.00 0.00 O ATOM 0 H GLY A 65 -5.374 -13.334 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.849 -12.244 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.233 -13.843 -4.390 1.00 0.00 H new ATOM 968 N ASN A 66 -4.634 -12.237 -3.164 1.00 0.00 N ATOM 969 CA ASN A 66 -3.973 -11.829 -1.936 1.00 0.00 C ATOM 970 C ASN A 66 -3.045 -10.648 -2.230 1.00 0.00 C ATOM 971 O ASN A 66 -2.739 -10.368 -3.388 1.00 0.00 O ATOM 972 CB ASN A 66 -3.124 -12.966 -1.363 1.00 0.00 C ATOM 973 CG ASN A 66 -4.000 -13.999 -0.651 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.724 -14.765 -1.265 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.895 -13.976 0.674 1.00 0.00 N ATOM 0 H ASN A 66 -4.082 -12.103 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.742 -11.554 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.566 -13.448 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.392 -12.561 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.440 -14.626 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.269 -13.308 1.124 1.00 0.00 H new ATOM 982 N TRP A 67 -2.622 -9.989 -1.161 1.00 0.00 N ATOM 983 CA TRP A 67 -1.735 -8.845 -1.290 1.00 0.00 C ATOM 984 C TRP A 67 -0.341 -9.273 -0.827 1.00 0.00 C ATOM 985 O TRP A 67 -0.209 -10.123 0.052 1.00 0.00 O ATOM 986 CB TRP A 67 -2.278 -7.641 -0.518 1.00 0.00 C ATOM 987 CG TRP A 67 -3.544 -7.032 -1.124 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.820 -7.333 -0.845 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.605 -5.999 -2.129 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.695 -6.573 -1.594 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.932 -5.736 -2.400 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.572 -5.309 -2.789 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.350 -4.780 -3.334 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.006 -4.357 -3.719 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.338 -4.080 -4.003 1.00 0.00 C ATOM 0 H TRP A 67 -2.877 -10.225 -0.202 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.672 -8.521 -2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.488 -7.945 0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.505 -6.874 -0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.125 -8.077 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.714 -6.617 -1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.527 -5.499 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.396 -4.593 -3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.252 -3.798 -4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.592 -3.329 -4.736 1.00 0.00 H new ATOM 1006 N VAL A 68 0.664 -8.665 -1.439 1.00 0.00 N ATOM 1007 CA VAL A 68 2.043 -8.972 -1.101 1.00 0.00 C ATOM 1008 C VAL A 68 2.882 -7.696 -1.190 1.00 0.00 C ATOM 1009 O VAL A 68 2.569 -6.796 -1.968 1.00 0.00 O ATOM 1010 CB VAL A 68 2.564 -10.095 -2.000 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.507 -11.186 -2.184 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.026 -9.545 -3.351 1.00 0.00 C ATOM 0 H VAL A 68 0.551 -7.960 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 68 2.113 -9.336 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 68 3.427 -10.545 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.903 -11.972 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.247 -11.608 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.617 -10.756 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.392 -10.363 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.189 -9.057 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.827 -8.822 -3.195 1.00 0.00 H new ATOM 1022 N ILE A 69 3.932 -7.659 -0.383 1.00 0.00 N ATOM 1023 CA ILE A 69 4.819 -6.508 -0.361 1.00 0.00 C ATOM 1024 C ILE A 69 6.222 -6.942 -0.790 1.00 0.00 C ATOM 1025 O ILE A 69 6.646 -8.059 -0.499 1.00 0.00 O ATOM 1026 CB ILE A 69 4.778 -5.826 1.008 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.525 -4.491 0.978 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.310 -6.756 2.100 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.756 -3.415 1.747 1.00 0.00 C ATOM 0 H ILE A 69 4.189 -8.408 0.261 1.00 0.00 H new ATOM 0 HA ILE A 69 4.485 -5.756 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 69 3.738 -5.608 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.517 -4.615 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.668 -4.173 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.270 -6.247 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.698 -7.657 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.342 -7.028 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.309 -2.476 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.774 -3.276 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.636 -3.725 2.785 1.00 0.00 H new ATOM 1041 N GLN A 70 6.903 -6.036 -1.476 1.00 0.00 N ATOM 1042 CA GLN A 70 8.250 -6.312 -1.948 1.00 0.00 C ATOM 1043 C GLN A 70 9.128 -5.067 -1.804 1.00 0.00 C ATOM 1044 O GLN A 70 8.803 -4.009 -2.340 1.00 0.00 O ATOM 1045 CB GLN A 70 8.233 -6.807 -3.395 1.00 0.00 C ATOM 1046 CG GLN A 70 9.592 -7.384 -3.793 1.00 0.00 C ATOM 1047 CD GLN A 70 9.427 -8.699 -4.559 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.635 -9.785 -3.820 1.00 0.00 O flip ATOM 1049 NE2 GLN A 70 9.130 -8.724 -5.742 1.00 0.00 N flip ATOM 0 H GLN A 70 6.548 -5.111 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 70 8.675 -7.105 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.462 -7.568 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.974 -5.984 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.130 -6.664 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.195 -7.552 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.984 -7.851 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.027 -9.617 -6.223 1.00 0.00 H new ATOM 1058 N ASP A 71 10.223 -5.235 -1.077 1.00 0.00 N ATOM 1059 CA ASP A 71 11.150 -4.138 -0.856 1.00 0.00 C ATOM 1060 C ASP A 71 12.124 -4.055 -2.033 1.00 0.00 C ATOM 1061 O ASP A 71 13.015 -4.892 -2.167 1.00 0.00 O ATOM 1062 CB ASP A 71 11.966 -4.355 0.419 1.00 0.00 C ATOM 1063 CG ASP A 71 13.188 -3.446 0.568 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.293 -2.500 -0.242 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.989 -3.718 1.487 1.00 0.00 O ATOM 0 H ASP A 71 10.489 -6.114 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 71 10.570 -3.220 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.314 -4.206 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.298 -5.393 0.447 1.00 0.00 H new ATOM 1070 N LEU A 72 11.922 -3.036 -2.856 1.00 0.00 N ATOM 1071 CA LEU A 72 12.772 -2.832 -4.017 1.00 0.00 C ATOM 1072 C LEU A 72 14.164 -2.397 -3.555 1.00 0.00 C ATOM 1073 O LEU A 72 14.614 -1.299 -3.880 1.00 0.00 O ATOM 1074 CB LEU A 72 12.116 -1.857 -4.996 1.00 0.00 C ATOM 1075 CG LEU A 72 10.862 -2.365 -5.710 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.089 -3.348 -4.829 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.985 -1.200 -6.174 1.00 0.00 C ATOM 0 H LEU A 72 11.182 -2.343 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 72 12.896 -3.765 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.858 -0.947 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.852 -1.580 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 72 11.174 -2.909 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.202 -3.694 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.725 -4.201 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.788 -2.851 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.100 -1.589 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.680 -0.608 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.549 -0.572 -6.864 1.00 0.00 H new ATOM 1089 N GLY A 73 14.806 -3.280 -2.804 1.00 0.00 N ATOM 1090 CA GLY A 73 16.138 -3.000 -2.294 1.00 0.00 C ATOM 1091 C GLY A 73 16.279 -1.527 -1.908 1.00 0.00 C ATOM 1092 O GLY A 73 17.271 -0.884 -2.248 1.00 0.00 O ATOM 0 H GLY A 73 14.429 -4.189 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.338 -3.628 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.881 -3.254 -3.049 1.00 0.00 H new ATOM 1096 N SER A 74 15.271 -1.033 -1.203 1.00 0.00 N ATOM 1097 CA SER A 74 15.271 0.353 -0.767 1.00 0.00 C ATOM 1098 C SER A 74 16.439 0.601 0.189 1.00 0.00 C ATOM 1099 O SER A 74 17.124 -0.337 0.595 1.00 0.00 O ATOM 1100 CB SER A 74 13.947 0.717 -0.092 1.00 0.00 C ATOM 1101 OG SER A 74 13.733 -0.029 1.103 1.00 0.00 O ATOM 0 H SER A 74 14.449 -1.568 -0.923 1.00 0.00 H new ATOM 0 HA SER A 74 15.388 0.988 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.939 1.782 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.125 0.535 -0.785 1.00 0.00 H new ATOM 0 HG SER A 74 13.137 0.471 1.699 1.00 0.00 H new ATOM 1139 N THR A 78 13.208 -2.078 4.594 1.00 0.00 N ATOM 1140 CA THR A 78 11.802 -1.983 4.948 1.00 0.00 C ATOM 1141 C THR A 78 11.486 -2.907 6.126 1.00 0.00 C ATOM 1142 O THR A 78 12.227 -3.850 6.396 1.00 0.00 O ATOM 1143 CB THR A 78 10.977 -2.291 3.697 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.444 -1.351 2.733 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.497 -1.944 3.870 1.00 0.00 C ATOM 0 HA THR A 78 11.546 -0.978 5.284 1.00 0.00 H new ATOM 0 HB THR A 78 11.075 -3.348 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.419 -1.276 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.958 -2.182 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.082 -2.522 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.395 -0.880 4.085 1.00 0.00 H new ATOM 1153 N LEU A 79 10.384 -2.602 6.796 1.00 0.00 N ATOM 1154 CA LEU A 79 9.961 -3.392 7.940 1.00 0.00 C ATOM 1155 C LEU A 79 8.463 -3.684 7.826 1.00 0.00 C ATOM 1156 O LEU A 79 7.667 -2.777 7.592 1.00 0.00 O ATOM 1157 CB LEU A 79 10.356 -2.700 9.246 1.00 0.00 C ATOM 1158 CG LEU A 79 11.812 -2.874 9.684 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.157 -1.919 10.828 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.105 -4.331 10.045 1.00 0.00 C ATOM 0 H LEU A 79 9.771 -1.819 6.568 1.00 0.00 H new ATOM 0 HA LEU A 79 10.474 -4.354 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.153 -1.634 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.711 -3.073 10.041 1.00 0.00 H new ATOM 0 HG LEU A 79 12.456 -2.615 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.197 -2.063 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.011 -0.890 10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.509 -2.123 11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.146 -4.427 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.455 -4.641 10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.923 -4.965 9.177 1.00 0.00 H new ATOM 1172 N LEU A 80 8.125 -4.953 7.999 1.00 0.00 N ATOM 1173 CA LEU A 80 6.737 -5.376 7.919 1.00 0.00 C ATOM 1174 C LEU A 80 6.303 -5.945 9.271 1.00 0.00 C ATOM 1175 O LEU A 80 6.794 -6.989 9.696 1.00 0.00 O ATOM 1176 CB LEU A 80 6.538 -6.345 6.752 1.00 0.00 C ATOM 1177 CG LEU A 80 5.119 -6.884 6.563 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.166 -5.775 6.115 1.00 0.00 C ATOM 1179 CD2 LEU A 80 5.109 -8.072 5.598 1.00 0.00 C ATOM 0 H LEU A 80 8.789 -5.703 8.194 1.00 0.00 H new ATOM 0 HA LEU A 80 6.091 -4.524 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.840 -5.843 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.212 -7.191 6.889 1.00 0.00 H new ATOM 0 HG LEU A 80 4.760 -7.247 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.164 -6.185 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.143 -4.988 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.511 -5.360 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.089 -8.437 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.495 -7.757 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.736 -8.870 5.996 1.00 0.00 H new ATOM 1191 N ASN A 81 5.387 -5.232 9.911 1.00 0.00 N ATOM 1192 CA ASN A 81 4.882 -5.653 11.206 1.00 0.00 C ATOM 1193 C ASN A 81 6.031 -5.671 12.216 1.00 0.00 C ATOM 1194 O ASN A 81 6.201 -4.727 12.985 1.00 0.00 O ATOM 1195 CB ASN A 81 4.292 -7.063 11.136 1.00 0.00 C ATOM 1196 CG ASN A 81 2.779 -7.013 10.914 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.033 -6.420 11.676 1.00 0.00 O ATOM 1198 ND2 ASN A 81 2.369 -7.668 9.832 1.00 0.00 N ATOM 0 H ASN A 81 4.982 -4.366 9.556 1.00 0.00 H new ATOM 0 HA ASN A 81 4.104 -4.951 11.508 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.764 -7.619 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.510 -7.599 12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.377 -7.695 9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.047 -8.144 9.236 1.00 0.00 H new ATOM 1205 N SER A 82 6.790 -6.757 12.181 1.00 0.00 N ATOM 1206 CA SER A 82 7.918 -6.911 13.084 1.00 0.00 C ATOM 1207 C SER A 82 8.988 -7.793 12.438 1.00 0.00 C ATOM 1208 O SER A 82 9.369 -8.821 12.996 1.00 0.00 O ATOM 1209 CB SER A 82 7.475 -7.505 14.422 1.00 0.00 C ATOM 1210 OG SER A 82 7.242 -6.498 15.403 1.00 0.00 O ATOM 0 H SER A 82 6.646 -7.538 11.541 1.00 0.00 H new ATOM 0 HA SER A 82 8.339 -5.924 13.278 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.565 -8.087 14.277 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.239 -8.193 14.784 1.00 0.00 H new ATOM 0 HG SER A 82 6.860 -5.705 14.973 1.00 0.00 H new ATOM 1216 N ASN A 83 9.442 -7.360 11.271 1.00 0.00 N ATOM 1217 CA ASN A 83 10.461 -8.098 10.544 1.00 0.00 C ATOM 1218 C ASN A 83 10.900 -7.286 9.324 1.00 0.00 C ATOM 1219 O ASN A 83 10.077 -6.643 8.673 1.00 0.00 O ATOM 1220 CB ASN A 83 9.920 -9.441 10.049 1.00 0.00 C ATOM 1221 CG ASN A 83 10.884 -10.579 10.389 1.00 0.00 C ATOM 1222 OD1 ASN A 83 12.095 -10.435 10.348 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.282 -11.716 10.725 1.00 0.00 N ATOM 0 H ASN A 83 9.123 -6.507 10.811 1.00 0.00 H new ATOM 0 HA ASN A 83 11.298 -8.273 11.220 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.948 -9.635 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.766 -9.400 8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.839 -12.535 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.263 -11.769 10.739 1.00 0.00 H new ATOM 1230 N ALA A 84 12.195 -7.342 9.050 1.00 0.00 N ATOM 1231 CA ALA A 84 12.752 -6.620 7.919 1.00 0.00 C ATOM 1232 C ALA A 84 12.471 -7.399 6.633 1.00 0.00 C ATOM 1233 O ALA A 84 12.833 -8.569 6.520 1.00 0.00 O ATOM 1234 CB ALA A 84 14.248 -6.391 8.147 1.00 0.00 C ATOM 0 H ALA A 84 12.874 -7.876 9.592 1.00 0.00 H new ATOM 0 HA ALA A 84 12.283 -5.641 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.667 -5.849 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.392 -5.808 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.752 -7.352 8.248 1.00 0.00 H new ATOM 1240 N LEU A 85 11.828 -6.718 5.695 1.00 0.00 N ATOM 1241 CA LEU A 85 11.494 -7.332 4.422 1.00 0.00 C ATOM 1242 C LEU A 85 12.782 -7.648 3.659 1.00 0.00 C ATOM 1243 O LEU A 85 13.875 -7.321 4.118 1.00 0.00 O ATOM 1244 CB LEU A 85 10.518 -6.450 3.641 1.00 0.00 C ATOM 1245 CG LEU A 85 9.131 -6.271 4.263 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.350 -5.164 3.552 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.363 -7.594 4.279 1.00 0.00 C ATOM 0 H LEU A 85 11.530 -5.747 5.792 1.00 0.00 H new ATOM 0 HA LEU A 85 10.976 -8.278 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.969 -5.465 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.395 -6.873 2.644 1.00 0.00 H new ATOM 0 HG LEU A 85 9.259 -5.960 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.368 -5.057 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.894 -4.223 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.230 -5.422 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.381 -7.439 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.244 -7.958 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.916 -8.329 4.864 1.00 0.00 H new ATOM 1259 N ASP A 86 12.610 -8.279 2.507 1.00 0.00 N ATOM 1260 CA ASP A 86 13.746 -8.642 1.676 1.00 0.00 C ATOM 1261 C ASP A 86 13.432 -8.307 0.216 1.00 0.00 C ATOM 1262 O ASP A 86 12.277 -8.364 -0.203 1.00 0.00 O ATOM 1263 CB ASP A 86 14.036 -10.142 1.765 1.00 0.00 C ATOM 1264 CG ASP A 86 15.493 -10.502 2.060 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.129 -9.727 2.807 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.939 -11.544 1.532 1.00 0.00 O ATOM 0 H ASP A 86 11.702 -8.548 2.129 1.00 0.00 H new ATOM 0 HA ASP A 86 14.614 -8.085 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.406 -10.573 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.745 -10.610 0.824 1.00 0.00 H new ATOM 1271 N PRO A 87 14.509 -7.955 -0.537 1.00 0.00 N ATOM 1272 CA PRO A 87 14.360 -7.611 -1.940 1.00 0.00 C ATOM 1273 C PRO A 87 14.131 -8.862 -2.790 1.00 0.00 C ATOM 1274 O PRO A 87 13.384 -8.825 -3.767 1.00 0.00 O ATOM 1275 CB PRO A 87 15.638 -6.873 -2.302 1.00 0.00 C ATOM 1276 CG PRO A 87 16.648 -7.235 -1.225 1.00 0.00 C ATOM 1277 CD PRO A 87 15.891 -7.876 -0.073 1.00 0.00 C ATOM 0 HA PRO A 87 13.487 -6.986 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.995 -7.171 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.471 -5.796 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.397 -7.922 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.179 -6.346 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.288 -8.864 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.971 -7.278 0.835 1.00 0.00 H new ATOM 1285 N GLU A 88 14.787 -9.940 -2.388 1.00 0.00 N ATOM 1286 CA GLU A 88 14.664 -11.200 -3.101 1.00 0.00 C ATOM 1287 C GLU A 88 13.593 -12.077 -2.448 1.00 0.00 C ATOM 1288 O GLU A 88 13.617 -13.299 -2.587 1.00 0.00 O ATOM 1289 CB GLU A 88 16.008 -11.929 -3.161 1.00 0.00 C ATOM 1290 CG GLU A 88 17.005 -11.170 -4.038 1.00 0.00 C ATOM 1291 CD GLU A 88 18.017 -12.127 -4.673 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.462 -13.043 -3.948 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.322 -11.920 -5.867 1.00 0.00 O ATOM 0 H GLU A 88 15.406 -9.967 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 88 14.357 -10.987 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.412 -12.037 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.863 -12.935 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.470 -10.630 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.529 -10.426 -3.438 1.00 0.00 H new ATOM 1300 N THR A 89 12.680 -11.419 -1.750 1.00 0.00 N ATOM 1301 CA THR A 89 11.602 -12.123 -1.075 1.00 0.00 C ATOM 1302 C THR A 89 10.381 -11.214 -0.929 1.00 0.00 C ATOM 1303 O THR A 89 10.518 -10.023 -0.655 1.00 0.00 O ATOM 1304 CB THR A 89 12.139 -12.640 0.261 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.418 -13.178 -0.063 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.350 -13.842 0.783 1.00 0.00 C ATOM 0 H THR A 89 12.664 -10.405 -1.637 1.00 0.00 H new ATOM 0 HA THR A 89 11.262 -12.979 -1.658 1.00 0.00 H new ATOM 0 HB THR A 89 12.109 -11.838 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.838 -13.534 0.748 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.772 -14.169 1.733 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.308 -13.558 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.407 -14.656 0.061 1.00 0.00 H new ATOM 1314 N SER A 90 9.213 -11.811 -1.118 1.00 0.00 N ATOM 1315 CA SER A 90 7.968 -11.070 -1.010 1.00 0.00 C ATOM 1316 C SER A 90 7.031 -11.762 -0.018 1.00 0.00 C ATOM 1317 O SER A 90 6.800 -12.966 -0.113 1.00 0.00 O ATOM 1318 CB SER A 90 7.288 -10.933 -2.374 1.00 0.00 C ATOM 1319 OG SER A 90 7.029 -9.572 -2.708 1.00 0.00 O ATOM 0 H SER A 90 9.103 -12.799 -1.345 1.00 0.00 H new ATOM 0 HA SER A 90 8.197 -10.069 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.921 -11.380 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.351 -11.490 -2.369 1.00 0.00 H new ATOM 0 HG SER A 90 6.831 -9.067 -1.892 1.00 0.00 H new ATOM 1325 N VAL A 91 6.518 -10.970 0.913 1.00 0.00 N ATOM 1326 CA VAL A 91 5.611 -11.492 1.922 1.00 0.00 C ATOM 1327 C VAL A 91 4.186 -11.032 1.608 1.00 0.00 C ATOM 1328 O VAL A 91 3.990 -10.048 0.896 1.00 0.00 O ATOM 1329 CB VAL A 91 6.082 -11.071 3.315 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.381 -11.890 4.401 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.603 -11.184 3.438 1.00 0.00 C ATOM 0 H VAL A 91 6.713 -9.972 0.990 1.00 0.00 H new ATOM 0 HA VAL A 91 5.610 -12.582 1.909 1.00 0.00 H new ATOM 0 HB VAL A 91 5.812 -10.025 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.734 -11.571 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.304 -11.736 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.605 -12.947 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.911 -10.879 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.906 -12.216 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.077 -10.537 2.699 1.00 0.00 H new ATOM 1341 N ASN A 92 3.228 -11.766 2.154 1.00 0.00 N ATOM 1342 CA ASN A 92 1.827 -11.446 1.941 1.00 0.00 C ATOM 1343 C ASN A 92 1.384 -10.404 2.970 1.00 0.00 C ATOM 1344 O ASN A 92 1.637 -10.558 4.163 1.00 0.00 O ATOM 1345 CB ASN A 92 0.946 -12.685 2.115 1.00 0.00 C ATOM 1346 CG ASN A 92 0.942 -13.155 3.571 1.00 0.00 C ATOM 1347 OD1 ASN A 92 1.950 -13.567 4.120 1.00 0.00 O ATOM 1348 ND2 ASN A 92 -0.246 -13.070 4.163 1.00 0.00 N ATOM 0 H ASN A 92 3.394 -12.581 2.744 1.00 0.00 H new ATOM 0 HA ASN A 92 1.719 -11.066 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.072 -12.459 1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.308 -13.487 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.353 -13.359 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.050 -12.715 3.645 1.00 0.00 H new ATOM 1355 N LEU A 93 0.730 -9.366 2.469 1.00 0.00 N ATOM 1356 CA LEU A 93 0.250 -8.298 3.330 1.00 0.00 C ATOM 1357 C LEU A 93 -0.889 -8.827 4.203 1.00 0.00 C ATOM 1358 O LEU A 93 -1.544 -9.806 3.850 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.130 -7.071 2.499 1.00 0.00 C ATOM 1360 CG LEU A 93 1.035 -6.233 1.969 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.549 -5.204 0.945 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.807 -5.578 3.116 1.00 0.00 C ATOM 0 H LEU A 93 0.521 -9.242 1.478 1.00 0.00 H new ATOM 0 HA LEU A 93 1.040 -7.966 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.729 -7.403 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.767 -6.428 3.107 1.00 0.00 H new ATOM 0 HG LEU A 93 1.727 -6.899 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.397 -4.622 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.079 -5.719 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.175 -4.538 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.630 -4.988 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.138 -4.928 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.204 -6.350 3.775 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.092 -8.154 5.327 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.141 -8.544 6.254 1.00 0.00 C ATOM 1376 C GLY A 94 -2.819 -7.315 6.863 1.00 0.00 C ATOM 1377 O GLY A 94 -2.185 -6.275 7.037 1.00 0.00 O ATOM 0 H GLY A 94 -0.548 -7.341 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.882 -9.153 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.719 -9.162 7.047 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.097 -7.476 7.170 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.868 -6.392 7.756 1.00 0.00 C ATOM 1383 C ASP A 95 -4.385 -6.144 9.187 1.00 0.00 C ATOM 1384 O ASP A 95 -4.359 -7.062 10.005 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.356 -6.743 7.814 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.161 -5.975 8.864 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.635 -4.871 8.520 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.285 -6.510 9.987 1.00 0.00 O ATOM 0 H ASP A 95 -4.619 -8.340 7.024 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.730 -5.506 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.796 -6.558 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.455 -7.810 8.012 1.00 0.00 H new ATOM 1393 N GLY A 96 -4.014 -4.899 9.444 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.533 -4.518 10.762 1.00 0.00 C ATOM 1395 C GLY A 96 -2.004 -4.502 10.804 1.00 0.00 C ATOM 1396 O GLY A 96 -1.411 -4.255 11.853 1.00 0.00 O ATOM 0 H GLY A 96 -4.036 -4.140 8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.918 -3.532 11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.914 -5.216 11.508 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.409 -4.767 9.650 1.00 0.00 N ATOM 1401 CA ASP A 97 0.040 -4.786 9.541 1.00 0.00 C ATOM 1402 C ASP A 97 0.569 -3.351 9.586 1.00 0.00 C ATOM 1403 O ASP A 97 -0.139 -2.413 9.220 1.00 0.00 O ATOM 1404 CB ASP A 97 0.485 -5.413 8.219 1.00 0.00 C ATOM 1405 CG ASP A 97 1.843 -4.936 7.702 1.00 0.00 C ATOM 1406 OD1 ASP A 97 2.828 -5.102 8.454 1.00 0.00 O ATOM 1407 OD2 ASP A 97 1.866 -4.414 6.566 1.00 0.00 O ATOM 0 H ASP A 97 -1.904 -4.970 8.782 1.00 0.00 H new ATOM 0 HA ASP A 97 0.433 -5.376 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.520 -6.496 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.270 -5.202 7.462 1.00 0.00 H new ATOM 1412 N VAL A 98 1.808 -3.225 10.037 1.00 0.00 N ATOM 1413 CA VAL A 98 2.440 -1.920 10.133 1.00 0.00 C ATOM 1414 C VAL A 98 3.740 -1.926 9.326 1.00 0.00 C ATOM 1415 O VAL A 98 4.711 -2.574 9.713 1.00 0.00 O ATOM 1416 CB VAL A 98 2.650 -1.548 11.603 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.820 -0.574 11.759 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.370 -0.970 12.210 1.00 0.00 C ATOM 0 H VAL A 98 2.391 -4.005 10.340 1.00 0.00 H new ATOM 0 HA VAL A 98 1.796 -1.151 9.705 1.00 0.00 H new ATOM 0 HB VAL A 98 2.897 -2.459 12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.948 -0.325 12.812 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.732 -1.037 11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.614 0.335 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.546 -0.714 13.255 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.079 -0.074 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.572 -1.709 12.147 1.00 0.00 H new ATOM 1428 N ILE A 99 3.715 -1.197 8.220 1.00 0.00 N ATOM 1429 CA ILE A 99 4.880 -1.111 7.355 1.00 0.00 C ATOM 1430 C ILE A 99 5.705 0.119 7.739 1.00 0.00 C ATOM 1431 O ILE A 99 5.279 1.251 7.515 1.00 0.00 O ATOM 1432 CB ILE A 99 4.458 -1.134 5.885 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.453 -2.257 5.620 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.678 -1.228 4.966 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.657 -1.991 4.341 1.00 0.00 C ATOM 0 H ILE A 99 2.907 -0.661 7.903 1.00 0.00 H new ATOM 0 HA ILE A 99 5.522 -1.981 7.492 1.00 0.00 H new ATOM 0 HB ILE A 99 3.956 -0.193 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.979 -3.208 5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.771 -2.346 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.350 -1.243 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.325 -0.366 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.229 -2.142 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.950 -2.804 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.113 -1.052 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.340 -1.927 3.494 1.00 0.00 H new ATOM 1447 N LYS A 100 6.870 -0.144 8.311 1.00 0.00 N ATOM 1448 CA LYS A 100 7.759 0.927 8.728 1.00 0.00 C ATOM 1449 C LYS A 100 8.850 1.119 7.673 1.00 0.00 C ATOM 1450 O LYS A 100 9.768 0.307 7.570 1.00 0.00 O ATOM 1451 CB LYS A 100 8.302 0.656 10.133 1.00 0.00 C ATOM 1452 CG LYS A 100 7.478 1.393 11.191 1.00 0.00 C ATOM 1453 CD LYS A 100 7.724 0.807 12.583 1.00 0.00 C ATOM 1454 CE LYS A 100 7.216 -0.633 12.669 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.287 -0.787 13.811 1.00 0.00 N ATOM 0 H LYS A 100 7.220 -1.084 8.496 1.00 0.00 H new ATOM 0 HA LYS A 100 7.214 1.869 8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.283 -0.415 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.343 0.973 10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.738 2.452 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.418 1.324 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.790 0.835 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.222 1.419 13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.710 -0.902 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.058 -1.316 12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.633 -1.573 13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.830 -0.988 14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.745 0.091 13.939 1.00 0.00 H new ATOM 1469 N LEU A 101 8.713 2.198 6.916 1.00 0.00 N ATOM 1470 CA LEU A 101 9.676 2.507 5.873 1.00 0.00 C ATOM 1471 C LEU A 101 10.216 3.923 6.086 1.00 0.00 C ATOM 1472 O LEU A 101 9.634 4.707 6.834 1.00 0.00 O ATOM 1473 CB LEU A 101 9.057 2.287 4.491 1.00 0.00 C ATOM 1474 CG LEU A 101 7.907 3.223 4.114 1.00 0.00 C ATOM 1475 CD1 LEU A 101 7.948 3.569 2.624 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.559 2.631 4.528 1.00 0.00 C ATOM 0 H LEU A 101 7.950 2.869 7.004 1.00 0.00 H new ATOM 0 HA LEU A 101 10.528 1.829 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.843 2.389 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.696 1.260 4.436 1.00 0.00 H new ATOM 0 HG LEU A 101 8.031 4.155 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.120 4.235 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.891 4.063 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.862 2.655 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.759 3.317 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.411 1.676 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.545 2.478 5.607 1.00 0.00 H new ATOM 1488 N GLY A 102 11.323 4.206 5.416 1.00 0.00 N ATOM 1489 CA GLY A 102 11.948 5.514 5.523 1.00 0.00 C ATOM 1490 C GLY A 102 12.569 5.713 6.907 1.00 0.00 C ATOM 1491 O GLY A 102 13.246 4.824 7.421 1.00 0.00 O ATOM 0 H GLY A 102 11.803 3.553 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.717 5.617 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.207 6.291 5.338 1.00 0.00 H new ATOM 1495 N GLU A 103 12.317 6.885 7.470 1.00 0.00 N ATOM 1496 CA GLU A 103 12.843 7.212 8.785 1.00 0.00 C ATOM 1497 C GLU A 103 11.765 7.015 9.852 1.00 0.00 C ATOM 1498 O GLU A 103 11.885 6.137 10.705 1.00 0.00 O ATOM 1499 CB GLU A 103 13.391 8.641 8.816 1.00 0.00 C ATOM 1500 CG GLU A 103 14.506 8.823 7.784 1.00 0.00 C ATOM 1501 CD GLU A 103 15.582 9.778 8.303 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.248 10.970 8.477 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.715 9.295 8.516 1.00 0.00 O ATOM 0 H GLU A 103 11.756 7.620 7.040 1.00 0.00 H new ATOM 0 HA GLU A 103 13.670 6.536 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.586 9.348 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.772 8.867 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.953 7.856 7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.087 9.211 6.855 1.00 0.00 H new ATOM 1510 N TYR A 104 10.736 7.846 9.769 1.00 0.00 N ATOM 1511 CA TYR A 104 9.638 7.773 10.718 1.00 0.00 C ATOM 1512 C TYR A 104 8.292 7.704 9.993 1.00 0.00 C ATOM 1513 O TYR A 104 7.374 8.459 10.308 1.00 0.00 O ATOM 1514 CB TYR A 104 9.699 9.067 11.532 1.00 0.00 C ATOM 1515 CG TYR A 104 10.867 9.127 12.518 1.00 0.00 C ATOM 1516 CD1 TYR A 104 12.107 9.558 12.093 1.00 0.00 C ATOM 1517 CD2 TYR A 104 10.681 8.751 13.833 1.00 0.00 C ATOM 1518 CE1 TYR A 104 13.207 9.615 13.020 1.00 0.00 C ATOM 1519 CE2 TYR A 104 11.781 8.808 14.761 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.990 9.237 14.309 1.00 0.00 C ATOM 1521 OH TYR A 104 14.028 9.291 15.185 1.00 0.00 O ATOM 0 H TYR A 104 10.640 8.573 9.060 1.00 0.00 H new ATOM 0 HA TYR A 104 9.726 6.883 11.340 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.771 9.912 10.847 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.766 9.182 12.083 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.252 9.853 11.064 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.710 8.414 14.166 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.182 9.950 12.700 1.00 0.00 H new ATOM 0 HE2 TYR A 104 11.649 8.517 15.793 1.00 0.00 H new ATOM 0 HH TYR A 104 13.726 8.993 16.069 1.00 0.00 H new ATOM 1531 N THR A 105 8.218 6.790 9.036 1.00 0.00 N ATOM 1532 CA THR A 105 7.000 6.612 8.265 1.00 0.00 C ATOM 1533 C THR A 105 6.429 5.209 8.485 1.00 0.00 C ATOM 1534 O THR A 105 7.108 4.213 8.238 1.00 0.00 O ATOM 1535 CB THR A 105 7.320 6.914 6.800 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.436 8.334 6.755 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.145 6.607 5.868 1.00 0.00 C ATOM 0 H THR A 105 8.982 6.165 8.778 1.00 0.00 H new ATOM 0 HA THR A 105 6.221 7.301 8.592 1.00 0.00 H new ATOM 0 HB THR A 105 8.189 6.333 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.645 8.616 5.840 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.425 6.839 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.887 5.551 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.285 7.212 6.155 1.00 0.00 H new ATOM 1545 N SER A 106 5.188 5.176 8.949 1.00 0.00 N ATOM 1546 CA SER A 106 4.519 3.912 9.205 1.00 0.00 C ATOM 1547 C SER A 106 3.213 3.841 8.411 1.00 0.00 C ATOM 1548 O SER A 106 2.437 4.795 8.400 1.00 0.00 O ATOM 1549 CB SER A 106 4.243 3.729 10.699 1.00 0.00 C ATOM 1550 OG SER A 106 5.417 3.910 11.485 1.00 0.00 O ATOM 0 H SER A 106 4.629 6.004 9.154 1.00 0.00 H new ATOM 0 HA SER A 106 5.177 3.105 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.481 4.441 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.840 2.731 10.874 1.00 0.00 H new ATOM 0 HG SER A 106 5.199 3.787 12.432 1.00 0.00 H new ATOM 1556 N ILE A 107 3.012 2.701 7.766 1.00 0.00 N ATOM 1557 CA ILE A 107 1.813 2.493 6.971 1.00 0.00 C ATOM 1558 C ILE A 107 1.048 1.286 7.517 1.00 0.00 C ATOM 1559 O ILE A 107 1.643 0.252 7.816 1.00 0.00 O ATOM 1560 CB ILE A 107 2.168 2.377 5.488 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.087 3.520 5.052 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.906 2.296 4.627 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.545 3.334 3.604 1.00 0.00 C ATOM 0 H ILE A 107 3.659 1.912 7.778 1.00 0.00 H new ATOM 0 HA ILE A 107 1.149 3.354 7.050 1.00 0.00 H new ATOM 0 HB ILE A 107 2.719 1.448 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.563 4.471 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.956 3.564 5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.187 2.214 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.324 1.421 4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.307 3.195 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.197 4.160 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.089 2.394 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.676 3.315 2.947 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.261 1.457 7.630 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.114 0.395 8.135 1.00 0.00 C ATOM 1577 C LEU A 108 -1.845 -0.266 6.964 1.00 0.00 C ATOM 1578 O LEU A 108 -2.220 0.405 6.004 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.050 0.929 9.221 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.375 0.184 9.391 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.139 -1.262 9.832 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.305 0.931 10.349 1.00 0.00 C ATOM 0 H LEU A 108 -0.752 2.316 7.380 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.515 -0.378 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.519 0.907 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.269 1.974 9.002 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.873 0.147 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.097 -1.769 9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.542 -1.779 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.609 -1.270 10.785 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.240 0.380 10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.827 1.020 11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.512 1.926 9.954 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.025 -1.573 7.082 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.704 -2.332 6.046 1.00 0.00 C ATOM 1596 C VAL A 109 -4.122 -2.670 6.513 1.00 0.00 C ATOM 1597 O VAL A 109 -4.302 -3.310 7.547 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.884 -3.570 5.681 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.647 -4.465 4.702 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.518 -3.176 5.115 1.00 0.00 C ATOM 0 H VAL A 109 -1.712 -2.126 7.880 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.794 -1.739 5.136 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.716 -4.141 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.041 -5.338 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.583 -4.788 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.861 -3.907 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.045 -4.075 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.656 -2.572 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.032 -2.600 5.859 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.091 -2.224 5.728 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.487 -2.471 6.048 1.00 0.00 C ATOM 1612 C ASN A 110 -7.188 -3.068 4.827 1.00 0.00 C ATOM 1613 O ASN A 110 -7.119 -2.511 3.732 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.206 -1.172 6.418 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.583 -1.157 7.900 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.685 -0.800 8.284 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.609 -1.562 8.711 1.00 0.00 N ATOM 0 H ASN A 110 -4.937 -1.693 4.871 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.522 -3.156 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.564 -0.320 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.104 -1.063 5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.762 -1.587 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.709 -1.848 8.325 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.847 -4.195 5.054 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.560 -4.874 3.986 1.00 0.00 C ATOM 1626 C PHE A 111 -10.029 -4.447 3.950 1.00 0.00 C ATOM 1627 O PHE A 111 -10.815 -4.841 4.810 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.484 -6.374 4.280 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.108 -6.989 4.022 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.388 -6.614 2.931 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.603 -7.912 4.884 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.110 -7.185 2.692 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.326 -8.484 4.645 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.606 -8.108 3.554 1.00 0.00 C ATOM 0 H PHE A 111 -7.902 -4.655 5.963 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.113 -4.625 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.757 -6.544 5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.223 -6.892 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.788 -5.881 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.174 -8.210 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.538 -6.886 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.926 -9.218 5.329 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.634 -8.543 3.372 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.355 -3.648 2.944 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.716 -3.164 2.784 1.00 0.00 C ATOM 1646 C VAL A 112 -12.465 -4.075 1.810 1.00 0.00 C ATOM 1647 O VAL A 112 -12.000 -4.317 0.697 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.701 -1.699 2.343 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.119 -1.125 2.301 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.797 -0.862 3.249 1.00 0.00 C ATOM 0 H VAL A 112 -9.700 -3.324 2.232 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.249 -3.198 3.734 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.292 -1.657 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.080 -0.083 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.722 -1.696 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.566 -1.187 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.805 0.175 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.162 -0.914 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.779 -1.250 3.206 1.00 0.00 H new