USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 74 TYR OH : rot 175:sc= 0.703 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -153:sc= -0.883 (180deg=-2.24) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -128:sc= -1.87! (180deg=-2.71!) USER MOD Set 2.2: A 62 CYS SG : rot 68:sc= -0.217 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -5.04! C(o=-5!,f=-14!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -170:sc= -0.0081 USER MOD Single : A 41 LYS NZ :NH3+ 131:sc= -0.1 (180deg=-0.776) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.285 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0.276 (180deg=0.074) USER MOD Single : A 51 TYR OH : rot 30:sc= 1.63 USER MOD Single : A 52 ASN : amide:sc= 0.552 K(o=0.55,f=-0.9) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 167:sc= -0.16 USER MOD Single : A 64 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.3) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.808 K(o=-0.81,f=-4!) USER MOD Single : A 75 ASN : amide:sc= -0.0139 X(o=-0.014,f=0.089) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0.251 (180deg=0.243) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 15.955 -8.270 3.625 1.00 1.00 N ATOM 80 CA PRO A 6 14.788 -9.144 3.942 1.00 1.00 C ATOM 81 C PRO A 6 14.023 -9.555 2.676 1.00 1.00 C ATOM 82 O PRO A 6 12.800 -9.694 2.695 1.00 1.00 O ATOM 83 CB PRO A 6 13.906 -8.269 4.881 1.00 1.00 C ATOM 84 CG PRO A 6 14.797 -7.146 5.324 1.00 1.00 C ATOM 85 CD PRO A 6 15.766 -6.914 4.172 1.00 1.00 C ATOM 0 HA PRO A 6 15.090 -10.083 4.405 1.00 1.00 H new ATOM 0 HB2 PRO A 6 13.028 -7.892 4.357 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.546 -8.846 5.733 1.00 1.00 H new ATOM 0 HG2 PRO A 6 14.218 -6.247 5.537 1.00 1.00 H new ATOM 0 HG3 PRO A 6 15.330 -7.406 6.239 1.00 1.00 H new ATOM 0 HD2 PRO A 6 15.354 -6.232 3.428 1.00 1.00 H new ATOM 0 HD3 PRO A 6 16.706 -6.482 4.515 1.00 1.00 H new ATOM 93 N GLU A 7 14.721 -9.756 1.564 1.00 1.00 N ATOM 94 CA GLU A 7 14.081 -10.139 0.311 1.00 1.00 C ATOM 95 C GLU A 7 13.310 -11.442 0.476 1.00 1.00 C ATOM 96 O GLU A 7 12.443 -11.757 -0.339 1.00 1.00 O ATOM 97 CB GLU A 7 15.138 -10.288 -0.792 1.00 1.00 C ATOM 98 CG GLU A 7 14.461 -10.565 -2.139 1.00 1.00 C ATOM 99 CD GLU A 7 15.499 -10.554 -3.259 1.00 1.00 C ATOM 100 OE1 GLU A 7 16.678 -10.575 -2.948 1.00 1.00 O ATOM 101 OE2 GLU A 7 15.097 -10.523 -4.411 1.00 1.00 O ATOM 0 H GLU A 7 15.735 -9.660 1.505 1.00 1.00 H new ATOM 0 HA GLU A 7 13.377 -9.357 0.029 1.00 1.00 H new ATOM 0 HB2 GLU A 7 15.737 -9.379 -0.857 1.00 1.00 H new ATOM 0 HB3 GLU A 7 15.820 -11.102 -0.545 1.00 1.00 H new ATOM 0 HG2 GLU A 7 13.956 -11.531 -2.110 1.00 1.00 H new ATOM 0 HG3 GLU A 7 13.697 -9.812 -2.333 1.00 1.00 H new ATOM 108 N GLU A 8 13.627 -12.186 1.530 1.00 1.00 N ATOM 109 CA GLU A 8 12.955 -13.456 1.801 1.00 1.00 C ATOM 110 C GLU A 8 11.558 -13.217 2.369 1.00 1.00 C ATOM 111 O GLU A 8 10.611 -13.943 2.069 1.00 1.00 O ATOM 112 CB GLU A 8 13.780 -14.277 2.797 1.00 1.00 C ATOM 113 CG GLU A 8 15.092 -14.707 2.135 1.00 1.00 C ATOM 114 CD GLU A 8 15.974 -15.450 3.135 1.00 1.00 C ATOM 115 OE1 GLU A 8 15.562 -15.589 4.276 1.00 1.00 O ATOM 116 OE2 GLU A 8 17.051 -15.871 2.745 1.00 1.00 O ATOM 0 H GLU A 8 14.343 -11.934 2.211 1.00 1.00 H new ATOM 0 HA GLU A 8 12.862 -14.004 0.863 1.00 1.00 H new ATOM 0 HB2 GLU A 8 13.986 -13.686 3.690 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.217 -15.153 3.118 1.00 1.00 H new ATOM 0 HG2 GLU A 8 14.882 -15.348 1.279 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.619 -13.832 1.756 1.00 1.00 H new ATOM 123 N TYR A 9 11.430 -12.193 3.208 1.00 1.00 N ATOM 124 CA TYR A 9 10.153 -11.862 3.826 1.00 1.00 C ATOM 125 C TYR A 9 9.063 -11.725 2.760 1.00 1.00 C ATOM 126 O TYR A 9 7.873 -11.757 3.071 1.00 1.00 O ATOM 127 CB TYR A 9 10.285 -10.543 4.618 1.00 1.00 C ATOM 128 CG TYR A 9 11.004 -10.792 5.937 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.352 -11.169 5.936 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.323 -10.645 7.158 1.00 1.00 C ATOM 131 CE1 TYR A 9 13.020 -11.401 7.142 1.00 1.00 C ATOM 132 CE2 TYR A 9 10.995 -10.878 8.362 1.00 1.00 C ATOM 133 CZ TYR A 9 12.341 -11.258 8.355 1.00 1.00 C ATOM 134 OH TYR A 9 13.001 -11.487 9.545 1.00 1.00 O ATOM 0 H TYR A 9 12.198 -11.578 3.475 1.00 1.00 H new ATOM 0 HA TYR A 9 9.873 -12.665 4.507 1.00 1.00 H new ATOM 0 HB2 TYR A 9 10.835 -9.810 4.028 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.297 -10.123 4.807 1.00 1.00 H new ATOM 0 HD1 TYR A 9 12.878 -11.281 5.000 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.283 -10.353 7.166 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.060 -11.691 7.136 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.473 -10.764 9.301 1.00 1.00 H new ATOM 0 HH TYR A 9 12.385 -11.343 10.294 1.00 1.00 H new ATOM 144 N TYR A 10 9.451 -11.578 1.496 1.00 1.00 N ATOM 145 CA TYR A 10 8.494 -11.440 0.402 1.00 1.00 C ATOM 146 C TYR A 10 7.540 -12.642 0.380 1.00 1.00 C ATOM 147 O TYR A 10 6.523 -12.641 -0.317 1.00 1.00 O ATOM 148 CB TYR A 10 9.258 -11.312 -0.951 1.00 1.00 C ATOM 149 CG TYR A 10 9.379 -12.675 -1.629 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.223 -13.652 -1.086 1.00 1.00 C ATOM 151 CD2 TYR A 10 8.618 -12.969 -2.770 1.00 1.00 C ATOM 152 CE1 TYR A 10 10.306 -14.916 -1.679 1.00 1.00 C ATOM 153 CE2 TYR A 10 8.706 -14.231 -3.366 1.00 1.00 C ATOM 154 CZ TYR A 10 9.549 -15.207 -2.818 1.00 1.00 C ATOM 155 OH TYR A 10 9.627 -16.458 -3.395 1.00 1.00 O ATOM 0 H TYR A 10 10.428 -11.551 1.203 1.00 1.00 H new ATOM 0 HA TYR A 10 7.900 -10.538 0.553 1.00 1.00 H new ATOM 0 HB2 TYR A 10 8.733 -10.618 -1.608 1.00 1.00 H new ATOM 0 HB3 TYR A 10 10.251 -10.897 -0.777 1.00 1.00 H new ATOM 0 HD1 TYR A 10 10.811 -13.429 -0.208 1.00 1.00 H new ATOM 0 HD2 TYR A 10 7.963 -12.219 -3.189 1.00 1.00 H new ATOM 0 HE1 TYR A 10 10.956 -15.668 -1.257 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.124 -14.453 -4.248 1.00 1.00 H new ATOM 0 HH TYR A 10 9.038 -16.495 -4.177 1.00 1.00 H new ATOM 165 N LEU A 11 7.860 -13.688 1.135 1.00 1.00 N ATOM 166 CA LEU A 11 7.026 -14.892 1.182 1.00 1.00 C ATOM 167 C LEU A 11 5.552 -14.525 1.285 1.00 1.00 C ATOM 168 O LEU A 11 4.692 -15.330 0.930 1.00 1.00 O ATOM 169 CB LEU A 11 7.439 -15.763 2.378 1.00 1.00 C ATOM 170 CG LEU A 11 7.163 -15.029 3.733 1.00 1.00 C ATOM 171 CD1 LEU A 11 5.857 -15.539 4.373 1.00 1.00 C ATOM 172 CD2 LEU A 11 8.325 -15.279 4.713 1.00 1.00 C ATOM 0 H LEU A 11 8.691 -13.730 1.725 1.00 1.00 H new ATOM 0 HA LEU A 11 7.173 -15.454 0.260 1.00 1.00 H new ATOM 0 HB2 LEU A 11 6.890 -16.704 2.353 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.498 -16.009 2.304 1.00 1.00 H new ATOM 0 HG LEU A 11 7.071 -13.963 3.527 1.00 1.00 H new ATOM 0 HD11 LEU A 11 5.684 -15.016 5.314 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.023 -15.353 3.696 1.00 1.00 H new ATOM 0 HD13 LEU A 11 5.939 -16.609 4.563 1.00 1.00 H new ATOM 0 HD21 LEU A 11 8.125 -14.765 5.653 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.421 -16.349 4.898 1.00 1.00 H new ATOM 0 HD23 LEU A 11 9.252 -14.900 4.282 1.00 1.00 H new ATOM 184 N GLU A 12 5.304 -13.310 1.763 1.00 1.00 N ATOM 185 CA GLU A 12 3.936 -12.845 1.904 1.00 1.00 C ATOM 186 C GLU A 12 3.193 -12.967 0.581 1.00 1.00 C ATOM 187 O GLU A 12 2.089 -13.512 0.553 1.00 1.00 O ATOM 188 CB GLU A 12 3.939 -11.388 2.389 1.00 1.00 C ATOM 189 CG GLU A 12 4.614 -10.478 1.346 1.00 1.00 C ATOM 190 CD GLU A 12 4.968 -9.131 1.961 1.00 1.00 C ATOM 191 OE1 GLU A 12 4.561 -8.884 3.083 1.00 1.00 O ATOM 192 OE2 GLU A 12 5.645 -8.365 1.295 1.00 1.00 O ATOM 0 H GLU A 12 6.019 -12.643 2.053 1.00 1.00 H new ATOM 0 HA GLU A 12 3.421 -13.464 2.638 1.00 1.00 H new ATOM 0 HB2 GLU A 12 2.916 -11.054 2.565 1.00 1.00 H new ATOM 0 HB3 GLU A 12 4.466 -11.315 3.340 1.00 1.00 H new ATOM 0 HG2 GLU A 12 5.515 -10.958 0.965 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.947 -10.332 0.496 1.00 1.00 H new ATOM 199 N GLY A 13 3.815 -12.461 -0.480 1.00 1.00 N ATOM 200 CA GLY A 13 3.229 -12.521 -1.823 1.00 1.00 C ATOM 201 C GLY A 13 2.466 -13.828 -2.029 1.00 1.00 C ATOM 202 O GLY A 13 1.408 -13.857 -2.658 1.00 1.00 O ATOM 0 H GLY A 13 4.726 -12.004 -0.440 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.556 -11.676 -1.968 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.016 -12.433 -2.572 1.00 1.00 H new ATOM 206 N VAL A 14 3.001 -14.915 -1.480 1.00 1.00 N ATOM 207 CA VAL A 14 2.355 -16.216 -1.598 1.00 1.00 C ATOM 208 C VAL A 14 1.139 -16.294 -0.691 1.00 1.00 C ATOM 209 O VAL A 14 0.035 -16.595 -1.146 1.00 1.00 O ATOM 210 CB VAL A 14 3.340 -17.325 -1.206 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.669 -18.696 -1.359 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.573 -17.258 -2.108 1.00 1.00 C ATOM 0 H VAL A 14 3.874 -14.920 -0.953 1.00 1.00 H new ATOM 0 HA VAL A 14 2.039 -16.347 -2.633 1.00 1.00 H new ATOM 0 HB VAL A 14 3.640 -17.185 -0.167 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.374 -19.479 -1.079 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.794 -18.747 -0.711 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.362 -18.837 -2.395 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.272 -18.046 -1.828 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.272 -17.392 -3.147 1.00 1.00 H new ATOM 0 HG23 VAL A 14 5.056 -16.288 -1.993 1.00 1.00 H new ATOM 222 N LEU A 15 1.329 -16.020 0.594 1.00 1.00 N ATOM 223 CA LEU A 15 0.233 -16.077 1.557 1.00 1.00 C ATOM 224 C LEU A 15 -1.019 -15.428 0.983 1.00 1.00 C ATOM 225 O LEU A 15 -2.026 -16.108 0.786 1.00 1.00 O ATOM 226 CB LEU A 15 0.605 -15.342 2.850 1.00 1.00 C ATOM 227 CG LEU A 15 1.907 -15.894 3.441 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.220 -15.130 4.734 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.764 -17.402 3.746 1.00 1.00 C ATOM 0 H LEU A 15 2.230 -15.756 0.994 1.00 1.00 H new ATOM 0 HA LEU A 15 0.043 -17.128 1.772 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.716 -14.277 2.648 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -0.201 -15.446 3.576 1.00 1.00 H new ATOM 0 HG LEU A 15 2.717 -15.765 2.723 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.145 -15.511 5.167 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.334 -14.069 4.511 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.404 -15.266 5.444 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.697 -17.779 4.165 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.957 -17.553 4.463 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.537 -17.939 2.825 1.00 1.00 H new ATOM 241 N GLN A 16 -0.960 -14.132 0.696 1.00 1.00 N ATOM 242 CA GLN A 16 -2.120 -13.443 0.142 1.00 1.00 C ATOM 243 C GLN A 16 -2.722 -14.256 -1.010 1.00 1.00 C ATOM 244 O GLN A 16 -3.908 -14.586 -0.992 1.00 1.00 O ATOM 245 CB GLN A 16 -1.693 -12.051 -0.360 1.00 1.00 C ATOM 246 CG GLN A 16 -2.861 -11.343 -1.064 1.00 1.00 C ATOM 247 CD GLN A 16 -4.057 -11.252 -0.126 1.00 1.00 C ATOM 248 OE1 GLN A 16 -3.916 -10.836 1.025 1.00 1.00 O ATOM 249 NE2 GLN A 16 -5.236 -11.625 -0.546 1.00 1.00 N ATOM 0 H GLN A 16 -0.137 -13.546 0.835 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.877 -13.333 0.919 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.348 -11.447 0.479 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.853 -12.149 -1.048 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -2.556 -10.344 -1.376 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -3.137 -11.889 -1.966 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -5.352 -11.969 -1.499 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -6.040 -11.572 0.079 1.00 1.00 H new ATOM 258 N TYR A 17 -1.919 -14.599 -2.012 1.00 1.00 N ATOM 259 CA TYR A 17 -2.411 -15.377 -3.146 1.00 1.00 C ATOM 260 C TYR A 17 -3.167 -16.620 -2.673 1.00 1.00 C ATOM 261 O TYR A 17 -4.357 -16.768 -2.948 1.00 1.00 O ATOM 262 CB TYR A 17 -1.227 -15.799 -4.017 1.00 1.00 C ATOM 263 CG TYR A 17 -1.728 -16.532 -5.242 1.00 1.00 C ATOM 264 CD1 TYR A 17 -2.189 -15.803 -6.345 1.00 1.00 C ATOM 265 CD2 TYR A 17 -1.730 -17.934 -5.282 1.00 1.00 C ATOM 266 CE1 TYR A 17 -2.651 -16.470 -7.484 1.00 1.00 C ATOM 267 CE2 TYR A 17 -2.192 -18.601 -6.422 1.00 1.00 C ATOM 268 CZ TYR A 17 -2.653 -17.869 -7.523 1.00 1.00 C ATOM 269 OH TYR A 17 -3.108 -18.527 -8.647 1.00 1.00 O ATOM 0 H TYR A 17 -0.930 -14.353 -2.063 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.099 -14.757 -3.721 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.653 -14.922 -4.316 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -0.555 -16.441 -3.447 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -2.188 -14.723 -6.316 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -1.375 -18.499 -4.433 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -3.006 -15.906 -8.333 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -2.193 -19.681 -6.453 1.00 1.00 H new ATOM 0 HH TYR A 17 -3.040 -19.495 -8.509 1.00 1.00 H new ATOM 279 N ASP A 18 -2.468 -17.497 -1.959 1.00 1.00 N ATOM 280 CA ASP A 18 -3.094 -18.721 -1.450 1.00 1.00 C ATOM 281 C ASP A 18 -3.971 -18.414 -0.241 1.00 1.00 C ATOM 282 O ASP A 18 -5.199 -18.438 -0.315 1.00 1.00 O ATOM 283 CB ASP A 18 -2.013 -19.726 -1.052 1.00 1.00 C ATOM 284 CG ASP A 18 -2.654 -21.060 -0.682 1.00 1.00 C ATOM 285 OD1 ASP A 18 -3.311 -21.636 -1.533 1.00 1.00 O ATOM 286 OD2 ASP A 18 -2.480 -21.484 0.449 1.00 1.00 O ATOM 0 H ASP A 18 -1.482 -17.390 -1.720 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.718 -19.144 -2.238 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -1.313 -19.865 -1.876 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -1.440 -19.342 -0.208 1.00 1.00 H new ATOM 291 N ALA A 19 -3.318 -18.118 0.878 1.00 1.00 N ATOM 292 CA ALA A 19 -4.023 -17.797 2.126 1.00 1.00 C ATOM 293 C ALA A 19 -4.323 -16.303 2.203 1.00 1.00 C ATOM 294 O ALA A 19 -3.551 -15.529 2.770 1.00 1.00 O ATOM 295 CB ALA A 19 -3.165 -18.199 3.327 1.00 1.00 C ATOM 0 H ALA A 19 -2.301 -18.092 0.952 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.962 -18.351 2.142 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.694 -17.958 4.249 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.968 -19.270 3.291 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.221 -17.655 3.298 1.00 1.00 H new ATOM 301 N GLY A 20 -5.448 -15.880 1.635 1.00 1.00 N ATOM 302 CA GLY A 20 -5.841 -14.473 1.647 1.00 1.00 C ATOM 303 C GLY A 20 -5.889 -13.919 3.066 1.00 1.00 C ATOM 304 O GLY A 20 -6.956 -13.819 3.673 1.00 1.00 O ATOM 0 H GLY A 20 -6.108 -16.495 1.158 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.136 -13.892 1.052 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.819 -14.363 1.179 1.00 1.00 H new ATOM 308 N ASN A 21 -4.725 -13.557 3.596 1.00 1.00 N ATOM 309 CA ASN A 21 -4.626 -13.009 4.958 1.00 1.00 C ATOM 310 C ASN A 21 -3.869 -11.686 4.946 1.00 1.00 C ATOM 311 O ASN A 21 -2.845 -11.540 5.612 1.00 1.00 O ATOM 312 CB ASN A 21 -3.901 -13.999 5.869 1.00 1.00 C ATOM 313 CG ASN A 21 -4.574 -15.365 5.810 1.00 1.00 C ATOM 314 OD1 ASN A 21 -5.056 -15.779 4.758 1.00 1.00 O ATOM 315 ND2 ASN A 21 -4.637 -16.096 6.888 1.00 1.00 N ATOM 0 H ASN A 21 -3.832 -13.631 3.108 1.00 1.00 H new ATOM 0 HA ASN A 21 -5.635 -12.839 5.335 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -2.858 -14.087 5.565 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -3.904 -13.629 6.894 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -5.086 -17.011 6.858 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -4.237 -15.753 7.761 1.00 1.00 H new ATOM 322 N TYR A 22 -4.396 -10.729 4.189 1.00 1.00 N ATOM 323 CA TYR A 22 -3.756 -9.408 4.099 1.00 1.00 C ATOM 324 C TYR A 22 -3.290 -8.944 5.490 1.00 1.00 C ATOM 325 O TYR A 22 -2.212 -8.368 5.629 1.00 1.00 O ATOM 326 CB TYR A 22 -4.761 -8.384 3.528 1.00 1.00 C ATOM 327 CG TYR A 22 -4.787 -8.442 2.010 1.00 1.00 C ATOM 328 CD1 TYR A 22 -3.701 -7.943 1.286 1.00 1.00 C ATOM 329 CD2 TYR A 22 -5.896 -8.975 1.333 1.00 1.00 C ATOM 330 CE1 TYR A 22 -3.715 -7.977 -0.111 1.00 1.00 C ATOM 331 CE2 TYR A 22 -5.910 -9.009 -0.067 1.00 1.00 C ATOM 332 CZ TYR A 22 -4.819 -8.509 -0.788 1.00 1.00 C ATOM 333 OH TYR A 22 -4.830 -8.547 -2.167 1.00 1.00 O ATOM 0 H TYR A 22 -5.247 -10.833 3.637 1.00 1.00 H new ATOM 0 HA TYR A 22 -2.890 -9.481 3.441 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.757 -8.587 3.921 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.489 -7.380 3.853 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -2.850 -7.530 1.807 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -6.737 -9.358 1.891 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -2.874 -7.593 -0.669 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -6.761 -9.420 -0.590 1.00 1.00 H new ATOM 0 HH TYR A 22 -5.669 -8.948 -2.477 1.00 1.00 H new ATOM 343 N THR A 23 -4.114 -9.216 6.499 1.00 1.00 N ATOM 344 CA THR A 23 -3.774 -8.834 7.865 1.00 1.00 C ATOM 345 C THR A 23 -2.469 -9.501 8.296 1.00 1.00 C ATOM 346 O THR A 23 -1.568 -8.839 8.810 1.00 1.00 O ATOM 347 CB THR A 23 -4.906 -9.244 8.819 1.00 1.00 C ATOM 348 OG1 THR A 23 -4.564 -8.867 10.144 1.00 1.00 O ATOM 349 CG2 THR A 23 -5.126 -10.764 8.762 1.00 1.00 C ATOM 0 H THR A 23 -5.010 -9.693 6.398 1.00 1.00 H new ATOM 0 HA THR A 23 -3.644 -7.752 7.902 1.00 1.00 H new ATOM 0 HB THR A 23 -5.825 -8.742 8.516 1.00 1.00 H new ATOM 0 HG1 THR A 23 -5.286 -9.126 10.754 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.931 -11.041 9.443 1.00 1.00 H new ATOM 0 HG22 THR A 23 -5.394 -11.055 7.746 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.210 -11.276 9.056 1.00 1.00 H new ATOM 357 N GLU A 24 -2.354 -10.807 8.081 1.00 1.00 N ATOM 358 CA GLU A 24 -1.139 -11.527 8.463 1.00 1.00 C ATOM 359 C GLU A 24 0.087 -10.904 7.801 1.00 1.00 C ATOM 360 O GLU A 24 1.109 -10.683 8.452 1.00 1.00 O ATOM 361 CB GLU A 24 -1.259 -12.997 8.048 1.00 1.00 C ATOM 362 CG GLU A 24 -0.083 -13.813 8.604 1.00 1.00 C ATOM 363 CD GLU A 24 -0.202 -13.942 10.121 1.00 1.00 C ATOM 364 OE1 GLU A 24 -1.239 -13.576 10.651 1.00 1.00 O ATOM 365 OE2 GLU A 24 0.743 -14.416 10.730 1.00 1.00 O ATOM 0 H GLU A 24 -3.076 -11.385 7.650 1.00 1.00 H new ATOM 0 HA GLU A 24 -1.021 -11.461 9.545 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.200 -13.408 8.414 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.280 -13.073 6.961 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -0.069 -14.803 8.147 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.859 -13.330 8.345 1.00 1.00 H new ATOM 372 N SER A 25 -0.022 -10.630 6.506 1.00 1.00 N ATOM 373 CA SER A 25 1.092 -10.042 5.769 1.00 1.00 C ATOM 374 C SER A 25 1.632 -8.799 6.501 1.00 1.00 C ATOM 375 O SER A 25 2.802 -8.444 6.365 1.00 1.00 O ATOM 376 CB SER A 25 0.634 -9.663 4.348 1.00 1.00 C ATOM 377 OG SER A 25 -0.249 -10.660 3.850 1.00 1.00 O ATOM 0 H SER A 25 -0.859 -10.803 5.950 1.00 1.00 H new ATOM 0 HA SER A 25 1.894 -10.777 5.704 1.00 1.00 H new ATOM 0 HB2 SER A 25 0.134 -8.694 4.362 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.498 -9.566 3.690 1.00 1.00 H new ATOM 0 HG SER A 25 -0.541 -10.417 2.947 1.00 1.00 H new ATOM 383 N ILE A 26 0.781 -8.137 7.277 1.00 1.00 N ATOM 384 CA ILE A 26 1.198 -6.935 8.013 1.00 1.00 C ATOM 385 C ILE A 26 2.376 -7.267 8.936 1.00 1.00 C ATOM 386 O ILE A 26 3.352 -6.520 9.022 1.00 1.00 O ATOM 387 CB ILE A 26 -0.017 -6.359 8.824 1.00 1.00 C ATOM 388 CG1 ILE A 26 0.056 -4.806 8.892 1.00 1.00 C ATOM 389 CG2 ILE A 26 -0.075 -6.921 10.268 1.00 1.00 C ATOM 390 CD1 ILE A 26 -0.543 -4.179 7.622 1.00 1.00 C ATOM 0 H ILE A 26 -0.194 -8.404 7.416 1.00 1.00 H new ATOM 0 HA ILE A 26 1.528 -6.173 7.307 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.919 -6.668 8.296 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.484 -4.449 9.769 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.093 -4.490 9.006 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.931 -6.494 10.790 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.175 -8.006 10.232 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.841 -6.658 10.798 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.482 -3.093 7.689 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.015 -4.520 6.750 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.586 -4.479 7.526 1.00 1.00 H new ATOM 402 N ASP A 27 2.268 -8.392 9.634 1.00 1.00 N ATOM 403 CA ASP A 27 3.325 -8.802 10.542 1.00 1.00 C ATOM 404 C ASP A 27 4.658 -8.873 9.805 1.00 1.00 C ATOM 405 O ASP A 27 5.665 -8.395 10.325 1.00 1.00 O ATOM 406 CB ASP A 27 2.986 -10.173 11.132 1.00 1.00 C ATOM 407 CG ASP A 27 1.795 -10.045 12.077 1.00 1.00 C ATOM 408 OD1 ASP A 27 1.427 -8.923 12.385 1.00 1.00 O ATOM 409 OD2 ASP A 27 1.268 -11.068 12.479 1.00 1.00 O ATOM 0 H ASP A 27 1.470 -9.026 9.588 1.00 1.00 H new ATOM 0 HA ASP A 27 3.408 -8.069 11.345 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.754 -10.877 10.332 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.847 -10.572 11.668 1.00 1.00 H new ATOM 414 N LEU A 28 4.642 -9.465 8.616 1.00 1.00 N ATOM 415 CA LEU A 28 5.867 -9.578 7.831 1.00 1.00 C ATOM 416 C LEU A 28 6.333 -8.198 7.360 1.00 1.00 C ATOM 417 O LEU A 28 7.523 -7.889 7.425 1.00 1.00 O ATOM 418 CB LEU A 28 5.638 -10.511 6.620 1.00 1.00 C ATOM 419 CG LEU A 28 5.648 -12.002 7.042 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.070 -12.481 7.389 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.724 -12.209 8.253 1.00 1.00 C ATOM 0 H LEU A 28 3.812 -9.867 8.180 1.00 1.00 H new ATOM 0 HA LEU A 28 6.646 -10.006 8.462 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.684 -10.271 6.150 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.414 -10.338 5.874 1.00 1.00 H new ATOM 0 HG LEU A 28 5.288 -12.590 6.198 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.039 -13.531 7.681 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.716 -12.365 6.518 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.463 -11.887 8.214 1.00 1.00 H new ATOM 0 HD21 LEU A 28 4.736 -13.259 8.544 1.00 1.00 H new ATOM 0 HD22 LEU A 28 5.073 -11.598 9.085 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.708 -11.917 7.989 1.00 1.00 H new ATOM 433 N PHE A 29 5.394 -7.383 6.890 1.00 1.00 N ATOM 434 CA PHE A 29 5.754 -6.049 6.415 1.00 1.00 C ATOM 435 C PHE A 29 6.412 -5.241 7.540 1.00 1.00 C ATOM 436 O PHE A 29 7.466 -4.640 7.334 1.00 1.00 O ATOM 437 CB PHE A 29 4.507 -5.290 5.891 1.00 1.00 C ATOM 438 CG PHE A 29 4.116 -5.782 4.501 1.00 1.00 C ATOM 439 CD1 PHE A 29 5.000 -5.602 3.426 1.00 1.00 C ATOM 440 CD2 PHE A 29 2.877 -6.412 4.281 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.649 -6.047 2.146 1.00 1.00 C ATOM 442 CE2 PHE A 29 2.533 -6.859 3.000 1.00 1.00 C ATOM 443 CZ PHE A 29 3.418 -6.678 1.934 1.00 1.00 C ATOM 0 H PHE A 29 4.402 -7.613 6.828 1.00 1.00 H new ATOM 0 HA PHE A 29 6.461 -6.167 5.594 1.00 1.00 H new ATOM 0 HB2 PHE A 29 3.674 -5.432 6.579 1.00 1.00 H new ATOM 0 HB3 PHE A 29 4.714 -4.220 5.858 1.00 1.00 H new ATOM 0 HD1 PHE A 29 5.953 -5.119 3.587 1.00 1.00 H new ATOM 0 HD2 PHE A 29 2.190 -6.551 5.103 1.00 1.00 H new ATOM 0 HE1 PHE A 29 5.330 -5.903 1.320 1.00 1.00 H new ATOM 0 HE2 PHE A 29 1.582 -7.344 2.835 1.00 1.00 H new ATOM 0 HZ PHE A 29 3.152 -7.025 0.946 1.00 1.00 H new ATOM 453 N GLU A 30 5.788 -5.234 8.714 1.00 1.00 N ATOM 454 CA GLU A 30 6.335 -4.482 9.846 1.00 1.00 C ATOM 455 C GLU A 30 7.778 -4.912 10.132 1.00 1.00 C ATOM 456 O GLU A 30 8.635 -4.076 10.421 1.00 1.00 O ATOM 457 CB GLU A 30 5.462 -4.712 11.089 1.00 1.00 C ATOM 458 CG GLU A 30 5.855 -3.733 12.205 1.00 1.00 C ATOM 459 CD GLU A 30 5.413 -2.316 11.848 1.00 1.00 C ATOM 460 OE1 GLU A 30 4.715 -2.164 10.857 1.00 1.00 O ATOM 461 OE2 GLU A 30 5.775 -1.404 12.573 1.00 1.00 O ATOM 0 H GLU A 30 4.918 -5.730 8.908 1.00 1.00 H new ATOM 0 HA GLU A 30 6.335 -3.421 9.595 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.411 -4.579 10.833 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.578 -5.738 11.438 1.00 1.00 H new ATOM 0 HG2 GLU A 30 5.395 -4.039 13.145 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.934 -3.757 12.356 1.00 1.00 H new ATOM 468 N LYS A 31 8.027 -6.214 10.047 1.00 1.00 N ATOM 469 CA LYS A 31 9.377 -6.724 10.304 1.00 1.00 C ATOM 470 C LYS A 31 10.373 -6.174 9.279 1.00 1.00 C ATOM 471 O LYS A 31 11.461 -5.730 9.643 1.00 1.00 O ATOM 472 CB LYS A 31 9.381 -8.256 10.259 1.00 1.00 C ATOM 473 CG LYS A 31 8.642 -8.816 11.488 1.00 1.00 C ATOM 474 CD LYS A 31 8.510 -10.359 11.388 1.00 1.00 C ATOM 475 CE LYS A 31 9.780 -11.052 11.915 1.00 1.00 C ATOM 476 NZ LYS A 31 9.703 -11.145 13.396 1.00 1.00 N ATOM 0 H LYS A 31 7.334 -6.924 9.809 1.00 1.00 H new ATOM 0 HA LYS A 31 9.681 -6.392 11.297 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.900 -8.603 9.345 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.406 -8.626 10.240 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.182 -8.550 12.397 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.653 -8.365 11.561 1.00 1.00 H new ATOM 0 HD2 LYS A 31 7.644 -10.692 11.960 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.337 -10.647 10.351 1.00 1.00 H new ATOM 0 HE2 LYS A 31 9.874 -12.047 11.480 1.00 1.00 H new ATOM 0 HE3 LYS A 31 10.666 -10.490 11.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 10.558 -11.612 13.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.632 -10.190 13.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.865 -11.698 13.666 1.00 1.00 H new ATOM 490 N ALA A 32 9.988 -6.212 8.008 1.00 1.00 N ATOM 491 CA ALA A 32 10.865 -5.712 6.952 1.00 1.00 C ATOM 492 C ALA A 32 11.183 -4.228 7.169 1.00 1.00 C ATOM 493 O ALA A 32 12.351 -3.838 7.162 1.00 1.00 O ATOM 494 CB ALA A 32 10.188 -5.905 5.597 1.00 1.00 C ATOM 0 H ALA A 32 9.091 -6.577 7.686 1.00 1.00 H new ATOM 0 HA ALA A 32 11.801 -6.271 6.978 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.841 -5.532 4.808 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.992 -6.965 5.436 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.247 -5.355 5.579 1.00 1.00 H new ATOM 500 N ILE A 33 10.140 -3.427 7.358 1.00 1.00 N ATOM 501 CA ILE A 33 10.320 -1.990 7.580 1.00 1.00 C ATOM 502 C ILE A 33 11.152 -1.759 8.839 1.00 1.00 C ATOM 503 O ILE A 33 12.103 -0.979 8.839 1.00 1.00 O ATOM 504 CB ILE A 33 8.936 -1.301 7.715 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.121 -1.602 6.448 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.089 0.230 7.866 1.00 1.00 C ATOM 507 CD1 ILE A 33 6.677 -1.119 6.587 1.00 1.00 C ATOM 0 H ILE A 33 9.169 -3.740 7.363 1.00 1.00 H new ATOM 0 HA ILE A 33 10.846 -1.558 6.729 1.00 1.00 H new ATOM 0 HB ILE A 33 8.434 -1.683 8.604 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.587 -1.118 5.590 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.131 -2.674 6.253 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.104 0.687 7.959 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.677 0.451 8.757 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.595 0.633 6.989 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.128 -1.347 5.674 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.204 -1.623 7.430 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.668 -0.042 6.756 1.00 1.00 H new ATOM 519 N GLN A 34 10.792 -2.433 9.926 1.00 1.00 N ATOM 520 CA GLN A 34 11.509 -2.288 11.185 1.00 1.00 C ATOM 521 C GLN A 34 12.991 -2.600 10.996 1.00 1.00 C ATOM 522 O GLN A 34 13.845 -1.938 11.586 1.00 1.00 O ATOM 523 CB GLN A 34 10.902 -3.233 12.226 1.00 1.00 C ATOM 524 CG GLN A 34 11.575 -3.016 13.586 1.00 1.00 C ATOM 525 CD GLN A 34 10.941 -3.923 14.631 1.00 1.00 C ATOM 526 OE1 GLN A 34 10.975 -5.147 14.496 1.00 1.00 O ATOM 527 NE2 GLN A 34 10.361 -3.396 15.674 1.00 1.00 N ATOM 0 H GLN A 34 10.008 -3.085 9.959 1.00 1.00 H new ATOM 0 HA GLN A 34 11.417 -1.258 11.530 1.00 1.00 H new ATOM 0 HB2 GLN A 34 9.830 -3.055 12.309 1.00 1.00 H new ATOM 0 HB3 GLN A 34 11.030 -4.268 11.908 1.00 1.00 H new ATOM 0 HG2 GLN A 34 12.642 -3.225 13.510 1.00 1.00 H new ATOM 0 HG3 GLN A 34 11.475 -1.974 13.888 1.00 1.00 H new ATOM 0 HE21 GLN A 34 10.334 -2.382 15.785 1.00 1.00 H new ATOM 0 HE22 GLN A 34 9.935 -3.998 16.379 1.00 1.00 H new ATOM 536 N LEU A 35 13.271 -3.603 10.171 1.00 1.00 N ATOM 537 CA LEU A 35 14.657 -3.984 9.920 1.00 1.00 C ATOM 538 C LEU A 35 15.397 -2.867 9.178 1.00 1.00 C ATOM 539 O LEU A 35 16.506 -2.486 9.552 1.00 1.00 O ATOM 540 CB LEU A 35 14.683 -5.290 9.097 1.00 1.00 C ATOM 541 CG LEU A 35 14.379 -6.518 9.991 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.007 -7.711 9.101 1.00 1.00 C ATOM 543 CD2 LEU A 35 15.611 -6.906 10.835 1.00 1.00 C ATOM 0 H LEU A 35 12.574 -4.157 9.674 1.00 1.00 H new ATOM 0 HA LEU A 35 15.163 -4.147 10.871 1.00 1.00 H new ATOM 0 HB2 LEU A 35 13.950 -5.231 8.293 1.00 1.00 H new ATOM 0 HB3 LEU A 35 15.660 -5.410 8.629 1.00 1.00 H new ATOM 0 HG LEU A 35 13.557 -6.260 10.658 1.00 1.00 H new ATOM 0 HD11 LEU A 35 13.792 -8.578 9.726 1.00 1.00 H new ATOM 0 HD12 LEU A 35 13.126 -7.463 8.509 1.00 1.00 H new ATOM 0 HD13 LEU A 35 14.838 -7.941 8.435 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.371 -7.771 11.453 1.00 1.00 H new ATOM 0 HD22 LEU A 35 16.442 -7.152 10.174 1.00 1.00 H new ATOM 0 HD23 LEU A 35 15.892 -6.069 11.475 1.00 1.00 H new ATOM 555 N ASP A 36 14.769 -2.342 8.130 1.00 1.00 N ATOM 556 CA ASP A 36 15.382 -1.267 7.348 1.00 1.00 C ATOM 557 C ASP A 36 14.374 -0.675 6.344 1.00 1.00 C ATOM 558 O ASP A 36 14.046 -1.356 5.374 1.00 1.00 O ATOM 559 CB ASP A 36 16.582 -1.823 6.577 1.00 1.00 C ATOM 560 CG ASP A 36 17.262 -0.705 5.793 1.00 1.00 C ATOM 561 OD1 ASP A 36 17.510 0.337 6.379 1.00 1.00 O ATOM 562 OD2 ASP A 36 17.522 -0.906 4.619 1.00 1.00 O ATOM 0 H ASP A 36 13.849 -2.637 7.804 1.00 1.00 H new ATOM 0 HA ASP A 36 15.701 -0.481 8.032 1.00 1.00 H new ATOM 0 HB2 ASP A 36 17.291 -2.276 7.270 1.00 1.00 H new ATOM 0 HB3 ASP A 36 16.255 -2.609 5.896 1.00 1.00 H new ATOM 567 N PRO A 37 13.907 0.529 6.543 1.00 1.00 N ATOM 568 CA PRO A 37 12.932 1.147 5.596 1.00 1.00 C ATOM 569 C PRO A 37 13.630 1.778 4.387 1.00 1.00 C ATOM 570 O PRO A 37 14.421 2.711 4.528 1.00 1.00 O ATOM 571 CB PRO A 37 12.231 2.201 6.464 1.00 1.00 C ATOM 572 CG PRO A 37 13.291 2.666 7.416 1.00 1.00 C ATOM 573 CD PRO A 37 14.213 1.450 7.664 1.00 1.00 C ATOM 0 HA PRO A 37 12.243 0.423 5.162 1.00 1.00 H new ATOM 0 HB2 PRO A 37 11.851 3.025 5.859 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.379 1.776 6.995 1.00 1.00 H new ATOM 0 HG2 PRO A 37 13.852 3.501 6.996 1.00 1.00 H new ATOM 0 HG3 PRO A 37 12.850 3.016 8.349 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.264 1.740 7.666 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.009 0.985 8.629 1.00 1.00 H new ATOM 581 N GLU A 38 13.339 1.271 3.194 1.00 1.00 N ATOM 582 CA GLU A 38 13.941 1.777 1.952 1.00 1.00 C ATOM 583 C GLU A 38 13.332 1.084 0.723 1.00 1.00 C ATOM 584 O GLU A 38 13.492 1.540 -0.408 1.00 1.00 O ATOM 585 CB GLU A 38 15.459 1.543 1.973 1.00 1.00 C ATOM 586 CG GLU A 38 16.100 2.148 0.721 1.00 1.00 C ATOM 587 CD GLU A 38 17.618 2.112 0.842 1.00 1.00 C ATOM 588 OE1 GLU A 38 18.138 1.079 1.227 1.00 1.00 O ATOM 589 OE2 GLU A 38 18.237 3.122 0.551 1.00 1.00 O ATOM 0 H GLU A 38 12.684 0.502 3.054 1.00 1.00 H new ATOM 0 HA GLU A 38 13.735 2.845 1.886 1.00 1.00 H new ATOM 0 HB2 GLU A 38 15.892 1.992 2.867 1.00 1.00 H new ATOM 0 HB3 GLU A 38 15.670 0.475 2.019 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.784 1.594 -0.163 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.762 3.176 0.590 1.00 1.00 H new ATOM 596 N GLU A 39 12.627 -0.020 0.947 1.00 1.00 N ATOM 597 CA GLU A 39 12.000 -0.777 -0.140 1.00 1.00 C ATOM 598 C GLU A 39 10.562 -0.313 -0.356 1.00 1.00 C ATOM 599 O GLU A 39 9.648 -0.741 0.348 1.00 1.00 O ATOM 600 CB GLU A 39 12.009 -2.264 0.217 1.00 1.00 C ATOM 601 CG GLU A 39 13.450 -2.781 0.231 1.00 1.00 C ATOM 602 CD GLU A 39 13.471 -4.250 0.641 1.00 1.00 C ATOM 603 OE1 GLU A 39 12.765 -4.596 1.573 1.00 1.00 O ATOM 604 OE2 GLU A 39 14.193 -5.008 0.014 1.00 1.00 O ATOM 0 H GLU A 39 12.473 -0.415 1.875 1.00 1.00 H new ATOM 0 HA GLU A 39 12.561 -0.610 -1.060 1.00 1.00 H new ATOM 0 HB2 GLU A 39 11.548 -2.417 1.193 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.418 -2.825 -0.506 1.00 1.00 H new ATOM 0 HG2 GLU A 39 13.897 -2.664 -0.756 1.00 1.00 H new ATOM 0 HG3 GLU A 39 14.050 -2.192 0.925 1.00 1.00 H new ATOM 611 N SER A 40 10.358 0.568 -1.329 1.00 1.00 N ATOM 612 CA SER A 40 9.024 1.083 -1.622 1.00 1.00 C ATOM 613 C SER A 40 8.101 -0.025 -2.125 1.00 1.00 C ATOM 614 O SER A 40 6.946 -0.134 -1.714 1.00 1.00 O ATOM 615 CB SER A 40 9.110 2.187 -2.674 1.00 1.00 C ATOM 616 OG SER A 40 7.806 2.689 -2.931 1.00 1.00 O ATOM 0 H SER A 40 11.096 0.940 -1.927 1.00 1.00 H new ATOM 0 HA SER A 40 8.610 1.485 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 40 9.759 2.990 -2.324 1.00 1.00 H new ATOM 0 HB3 SER A 40 9.550 1.798 -3.592 1.00 1.00 H new ATOM 0 HG SER A 40 7.831 3.281 -3.711 1.00 1.00 H new ATOM 622 N LYS A 41 8.619 -0.851 -3.027 1.00 1.00 N ATOM 623 CA LYS A 41 7.846 -1.950 -3.599 1.00 1.00 C ATOM 624 C LYS A 41 7.209 -2.789 -2.488 1.00 1.00 C ATOM 625 O LYS A 41 6.136 -3.370 -2.654 1.00 1.00 O ATOM 626 CB LYS A 41 8.749 -2.841 -4.472 1.00 1.00 C ATOM 627 CG LYS A 41 9.447 -2.014 -5.570 1.00 1.00 C ATOM 628 CD LYS A 41 8.467 -1.656 -6.696 1.00 1.00 C ATOM 629 CE LYS A 41 9.232 -0.950 -7.814 1.00 1.00 C ATOM 630 NZ LYS A 41 10.216 -1.896 -8.410 1.00 1.00 N ATOM 0 H LYS A 41 9.574 -0.781 -3.379 1.00 1.00 H new ATOM 0 HA LYS A 41 7.056 -1.528 -4.220 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.498 -3.328 -3.848 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.153 -3.631 -4.930 1.00 1.00 H new ATOM 0 HG2 LYS A 41 9.858 -1.102 -5.137 1.00 1.00 H new ATOM 0 HG3 LYS A 41 10.285 -2.579 -5.978 1.00 1.00 H new ATOM 0 HD2 LYS A 41 7.987 -2.557 -7.078 1.00 1.00 H new ATOM 0 HD3 LYS A 41 7.675 -1.011 -6.315 1.00 1.00 H new ATOM 0 HE2 LYS A 41 8.539 -0.598 -8.578 1.00 1.00 H new ATOM 0 HE3 LYS A 41 9.746 -0.073 -7.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 10.129 -1.881 -9.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 11.179 -1.611 -8.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 10.028 -2.858 -8.061 1.00 1.00 H new ATOM 644 N TYR A 42 7.869 -2.869 -1.337 1.00 1.00 N ATOM 645 CA TYR A 42 7.351 -3.646 -0.206 1.00 1.00 C ATOM 646 C TYR A 42 6.251 -2.865 0.527 1.00 1.00 C ATOM 647 O TYR A 42 5.273 -3.449 0.998 1.00 1.00 O ATOM 648 CB TYR A 42 8.482 -4.009 0.780 1.00 1.00 C ATOM 649 CG TYR A 42 9.391 -5.111 0.202 1.00 1.00 C ATOM 650 CD1 TYR A 42 9.986 -4.981 -1.071 1.00 1.00 C ATOM 651 CD2 TYR A 42 9.625 -6.285 0.947 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.798 -6.008 -1.580 1.00 1.00 C ATOM 653 CE2 TYR A 42 10.431 -7.306 0.430 1.00 1.00 C ATOM 654 CZ TYR A 42 11.018 -7.168 -0.832 1.00 1.00 C ATOM 655 OH TYR A 42 11.804 -8.183 -1.343 1.00 1.00 O ATOM 0 H TYR A 42 8.761 -2.408 -1.159 1.00 1.00 H new ATOM 0 HA TYR A 42 6.927 -4.569 -0.602 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.076 -3.122 0.999 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.052 -4.346 1.723 1.00 1.00 H new ATOM 0 HD1 TYR A 42 9.817 -4.089 -1.656 1.00 1.00 H new ATOM 0 HD2 TYR A 42 9.179 -6.397 1.924 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.254 -5.901 -2.553 1.00 1.00 H new ATOM 0 HE2 TYR A 42 10.600 -8.203 1.007 1.00 1.00 H new ATOM 0 HH TYR A 42 12.481 -7.803 -1.941 1.00 1.00 H new ATOM 665 N TRP A 43 6.422 -1.551 0.620 1.00 1.00 N ATOM 666 CA TRP A 43 5.440 -0.696 1.300 1.00 1.00 C ATOM 667 C TRP A 43 4.218 -0.492 0.418 1.00 1.00 C ATOM 668 O TRP A 43 3.113 -0.276 0.920 1.00 1.00 O ATOM 669 CB TRP A 43 6.085 0.648 1.665 1.00 1.00 C ATOM 670 CG TRP A 43 7.507 0.438 2.118 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.474 1.365 1.971 1.00 1.00 C ATOM 672 CD2 TRP A 43 8.155 -0.729 2.751 1.00 1.00 C ATOM 673 NE1 TRP A 43 9.660 0.870 2.464 1.00 1.00 N ATOM 674 CE2 TRP A 43 9.525 -0.416 2.953 1.00 1.00 C ATOM 675 CE3 TRP A 43 7.718 -2.009 3.173 1.00 1.00 C ATOM 676 CZ2 TRP A 43 10.417 -1.327 3.530 1.00 1.00 C ATOM 677 CZ3 TRP A 43 8.612 -2.919 3.752 1.00 1.00 C ATOM 678 CH2 TRP A 43 9.961 -2.583 3.930 1.00 1.00 C ATOM 0 H TRP A 43 7.225 -1.051 0.237 1.00 1.00 H new ATOM 0 HA TRP A 43 5.115 -1.184 2.219 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.065 1.315 0.803 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.512 1.132 2.456 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.339 2.344 1.534 1.00 1.00 H new ATOM 0 HE1 TRP A 43 10.537 1.391 2.468 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.682 -2.287 3.047 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 11.454 -1.059 3.665 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 8.258 -3.890 4.065 1.00 1.00 H new ATOM 0 HH2 TRP A 43 10.643 -3.292 4.374 1.00 1.00 H new ATOM 689 N LEU A 44 4.427 -0.570 -0.891 1.00 1.00 N ATOM 690 CA LEU A 44 3.328 -0.401 -1.832 1.00 1.00 C ATOM 691 C LEU A 44 2.254 -1.449 -1.573 1.00 1.00 C ATOM 692 O LEU A 44 1.064 -1.142 -1.632 1.00 1.00 O ATOM 693 CB LEU A 44 3.855 -0.547 -3.272 1.00 1.00 C ATOM 694 CG LEU A 44 2.707 -0.544 -4.297 1.00 1.00 C ATOM 695 CD1 LEU A 44 1.824 0.699 -4.131 1.00 1.00 C ATOM 696 CD2 LEU A 44 3.314 -0.565 -5.703 1.00 1.00 C ATOM 0 H LEU A 44 5.335 -0.747 -1.320 1.00 1.00 H new ATOM 0 HA LEU A 44 2.896 0.591 -1.701 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.543 0.269 -3.493 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.421 -1.474 -3.361 1.00 1.00 H new ATOM 0 HG LEU A 44 2.081 -1.422 -4.138 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.021 0.676 -4.868 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.397 0.710 -3.128 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.426 1.595 -4.279 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.515 -0.563 -6.444 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.940 0.316 -5.842 1.00 1.00 H new ATOM 0 HD23 LEU A 44 3.920 -1.463 -5.824 1.00 1.00 H new ATOM 708 N MET A 45 2.681 -2.678 -1.298 1.00 1.00 N ATOM 709 CA MET A 45 1.743 -3.758 -1.044 1.00 1.00 C ATOM 710 C MET A 45 0.971 -3.513 0.248 1.00 1.00 C ATOM 711 O MET A 45 -0.217 -3.826 0.323 1.00 1.00 O ATOM 712 CB MET A 45 2.497 -5.093 -0.957 1.00 1.00 C ATOM 713 CG MET A 45 3.080 -5.462 -2.327 1.00 1.00 C ATOM 714 SD MET A 45 1.733 -5.881 -3.476 1.00 1.00 S ATOM 715 CE MET A 45 2.403 -7.434 -4.136 1.00 1.00 C ATOM 0 H MET A 45 3.664 -2.946 -1.246 1.00 1.00 H new ATOM 0 HA MET A 45 1.031 -3.797 -1.868 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.297 -5.020 -0.221 1.00 1.00 H new ATOM 0 HB3 MET A 45 1.822 -5.879 -0.617 1.00 1.00 H new ATOM 0 HG2 MET A 45 3.661 -4.629 -2.722 1.00 1.00 H new ATOM 0 HG3 MET A 45 3.761 -6.307 -2.227 1.00 1.00 H new ATOM 0 HE1 MET A 45 1.709 -7.848 -4.867 1.00 1.00 H new ATOM 0 HE2 MET A 45 3.363 -7.241 -4.616 1.00 1.00 H new ATOM 0 HE3 MET A 45 2.541 -8.146 -3.322 1.00 1.00 H new ATOM 725 N LYS A 46 1.674 -2.952 1.228 1.00 1.00 N ATOM 726 CA LYS A 46 1.041 -2.682 2.513 1.00 1.00 C ATOM 727 C LYS A 46 -0.171 -1.772 2.330 1.00 1.00 C ATOM 728 O LYS A 46 -1.251 -2.049 2.851 1.00 1.00 O ATOM 729 CB LYS A 46 2.040 -2.014 3.464 1.00 1.00 C ATOM 730 CG LYS A 46 1.434 -1.929 4.866 1.00 1.00 C ATOM 731 CD LYS A 46 2.469 -1.344 5.831 1.00 1.00 C ATOM 732 CE LYS A 46 1.902 -1.344 7.248 1.00 1.00 C ATOM 733 NZ LYS A 46 0.741 -0.412 7.330 1.00 1.00 N ATOM 0 H LYS A 46 2.655 -2.682 1.161 1.00 1.00 H new ATOM 0 HA LYS A 46 0.714 -3.630 2.940 1.00 1.00 H new ATOM 0 HB2 LYS A 46 2.968 -2.584 3.492 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.290 -1.016 3.103 1.00 1.00 H new ATOM 0 HG2 LYS A 46 0.540 -1.305 4.851 1.00 1.00 H new ATOM 0 HG3 LYS A 46 1.126 -2.919 5.202 1.00 1.00 H new ATOM 0 HD2 LYS A 46 3.387 -1.930 5.795 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.728 -0.328 5.532 1.00 1.00 H new ATOM 0 HE2 LYS A 46 1.591 -2.351 7.525 1.00 1.00 H new ATOM 0 HE3 LYS A 46 2.673 -1.042 7.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 0.879 0.246 8.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 0.665 0.126 6.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -0.132 -0.957 7.480 1.00 1.00 H new ATOM 747 N GLY A 47 0.014 -0.682 1.590 1.00 1.00 N ATOM 748 CA GLY A 47 -1.079 0.254 1.355 1.00 1.00 C ATOM 749 C GLY A 47 -2.310 -0.464 0.789 1.00 1.00 C ATOM 750 O GLY A 47 -3.427 -0.221 1.246 1.00 1.00 O ATOM 0 H GLY A 47 0.898 -0.428 1.149 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.342 0.752 2.288 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.755 1.029 0.660 1.00 1.00 H new ATOM 754 N LYS A 48 -2.093 -1.339 -0.186 1.00 1.00 N ATOM 755 CA LYS A 48 -3.200 -2.086 -0.792 1.00 1.00 C ATOM 756 C LYS A 48 -3.864 -2.996 0.241 1.00 1.00 C ATOM 757 O LYS A 48 -5.054 -3.294 0.146 1.00 1.00 O ATOM 758 CB LYS A 48 -2.706 -2.927 -1.984 1.00 1.00 C ATOM 759 CG LYS A 48 -2.373 -2.012 -3.176 1.00 1.00 C ATOM 760 CD LYS A 48 -2.001 -2.850 -4.416 1.00 1.00 C ATOM 761 CE LYS A 48 -0.589 -3.432 -4.282 1.00 1.00 C ATOM 762 NZ LYS A 48 -0.190 -4.049 -5.579 1.00 1.00 N ATOM 0 H LYS A 48 -1.174 -1.551 -0.574 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.933 -1.364 -1.152 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.823 -3.497 -1.696 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -3.471 -3.648 -2.272 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.229 -1.376 -3.403 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.546 -1.352 -2.915 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -2.721 -3.659 -4.542 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.059 -2.229 -5.310 1.00 1.00 H new ATOM 0 HE2 LYS A 48 0.116 -2.648 -4.006 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.564 -4.178 -3.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 0.513 -4.795 -5.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -1.027 -4.461 -6.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 0.222 -3.321 -6.197 1.00 1.00 H new ATOM 776 N ALA A 49 -3.090 -3.435 1.228 1.00 1.00 N ATOM 777 CA ALA A 49 -3.630 -4.313 2.260 1.00 1.00 C ATOM 778 C ALA A 49 -4.628 -3.566 3.140 1.00 1.00 C ATOM 779 O ALA A 49 -5.743 -4.035 3.372 1.00 1.00 O ATOM 780 CB ALA A 49 -2.490 -4.854 3.127 1.00 1.00 C ATOM 0 H ALA A 49 -2.103 -3.202 1.335 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.146 -5.140 1.772 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.898 -5.509 3.897 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.794 -5.415 2.504 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.966 -4.023 3.599 1.00 1.00 H new ATOM 786 N LEU A 50 -4.198 -2.405 3.623 1.00 1.00 N ATOM 787 CA LEU A 50 -5.054 -1.598 4.483 1.00 1.00 C ATOM 788 C LEU A 50 -6.295 -1.126 3.721 1.00 1.00 C ATOM 789 O LEU A 50 -7.409 -1.165 4.242 1.00 1.00 O ATOM 790 CB LEU A 50 -4.257 -0.383 4.994 1.00 1.00 C ATOM 791 CG LEU A 50 -3.283 -0.797 6.131 1.00 1.00 C ATOM 792 CD1 LEU A 50 -2.177 0.263 6.278 1.00 1.00 C ATOM 793 CD2 LEU A 50 -4.041 -0.926 7.472 1.00 1.00 C ATOM 0 H LEU A 50 -3.277 -2.007 3.437 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.382 -2.205 5.327 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.695 0.060 4.172 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.944 0.381 5.359 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.842 -1.761 5.876 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.496 -0.031 7.076 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.625 0.345 5.342 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.626 1.226 6.520 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.344 -1.217 8.258 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.496 0.031 7.726 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.819 -1.684 7.379 1.00 1.00 H new ATOM 805 N TYR A 51 -6.082 -0.682 2.487 1.00 1.00 N ATOM 806 CA TYR A 51 -7.196 -0.197 1.677 1.00 1.00 C ATOM 807 C TYR A 51 -8.248 -1.296 1.507 1.00 1.00 C ATOM 808 O TYR A 51 -9.437 -1.078 1.741 1.00 1.00 O ATOM 809 CB TYR A 51 -6.662 0.268 0.296 1.00 1.00 C ATOM 810 CG TYR A 51 -7.762 0.188 -0.756 1.00 1.00 C ATOM 811 CD1 TYR A 51 -9.001 0.787 -0.502 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.555 -0.510 -1.955 1.00 1.00 C ATOM 813 CE1 TYR A 51 -10.031 0.689 -1.442 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.586 -0.601 -2.898 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.825 -0.004 -2.639 1.00 1.00 C ATOM 816 OH TYR A 51 -10.845 -0.106 -3.557 1.00 1.00 O ATOM 0 H TYR A 51 -5.170 -0.647 2.032 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.668 0.647 2.179 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.293 1.291 0.368 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.819 -0.355 -0.003 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -9.161 1.325 0.421 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -6.601 -0.977 -2.151 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.988 1.149 -1.243 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.425 -1.132 -3.825 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.423 0.683 -3.493 1.00 1.00 H new ATOM 826 N ASN A 52 -7.811 -2.482 1.096 1.00 1.00 N ATOM 827 CA ASN A 52 -8.731 -3.592 0.897 1.00 1.00 C ATOM 828 C ASN A 52 -9.422 -3.965 2.205 1.00 1.00 C ATOM 829 O ASN A 52 -10.524 -4.515 2.191 1.00 1.00 O ATOM 830 CB ASN A 52 -7.966 -4.792 0.346 1.00 1.00 C ATOM 831 CG ASN A 52 -8.917 -5.961 0.130 1.00 1.00 C ATOM 832 OD1 ASN A 52 -10.068 -5.765 -0.260 1.00 1.00 O ATOM 833 ND2 ASN A 52 -8.502 -7.174 0.364 1.00 1.00 N ATOM 0 H ASN A 52 -6.834 -2.697 0.896 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.498 -3.290 0.184 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -7.484 -4.526 -0.595 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -7.175 -5.079 1.039 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -9.131 -7.964 0.224 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -7.548 -7.333 0.687 1.00 1.00 H new ATOM 840 N LEU A 53 -8.764 -3.669 3.321 1.00 1.00 N ATOM 841 CA LEU A 53 -9.315 -3.975 4.643 1.00 1.00 C ATOM 842 C LEU A 53 -10.368 -2.939 5.039 1.00 1.00 C ATOM 843 O LEU A 53 -10.749 -2.847 6.205 1.00 1.00 O ATOM 844 CB LEU A 53 -8.175 -4.036 5.699 1.00 1.00 C ATOM 845 CG LEU A 53 -7.783 -5.498 6.021 1.00 1.00 C ATOM 846 CD1 LEU A 53 -7.160 -6.180 4.793 1.00 1.00 C ATOM 847 CD2 LEU A 53 -6.778 -5.517 7.188 1.00 1.00 C ATOM 0 H LEU A 53 -7.849 -3.218 3.340 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.800 -4.951 4.602 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.303 -3.497 5.328 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.495 -3.534 6.612 1.00 1.00 H new ATOM 0 HG LEU A 53 -8.684 -6.045 6.300 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -6.893 -7.207 5.044 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -7.879 -6.182 3.974 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -6.266 -5.636 4.489 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -6.502 -6.547 7.414 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -5.886 -4.956 6.909 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -7.233 -5.062 8.068 1.00 1.00 H new ATOM 859 N GLU A 54 -10.859 -2.174 4.069 1.00 1.00 N ATOM 860 CA GLU A 54 -11.880 -1.147 4.290 1.00 1.00 C ATOM 861 C GLU A 54 -11.268 0.077 4.976 1.00 1.00 C ATOM 862 O GLU A 54 -11.986 0.992 5.378 1.00 1.00 O ATOM 863 CB GLU A 54 -13.020 -1.729 5.159 1.00 1.00 C ATOM 864 CG GLU A 54 -14.323 -0.945 4.963 1.00 1.00 C ATOM 865 CD GLU A 54 -15.423 -1.560 5.827 1.00 1.00 C ATOM 866 OE1 GLU A 54 -15.101 -2.396 6.658 1.00 1.00 O ATOM 867 OE2 GLU A 54 -16.571 -1.188 5.648 1.00 1.00 O ATOM 0 H GLU A 54 -10.559 -2.248 3.097 1.00 1.00 H new ATOM 0 HA GLU A 54 -12.284 -0.836 3.327 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -13.180 -2.776 4.900 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -12.730 -1.701 6.209 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -14.175 0.100 5.234 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -14.617 -0.964 3.914 1.00 1.00 H new ATOM 874 N ARG A 55 -9.944 0.101 5.098 1.00 1.00 N ATOM 875 CA ARG A 55 -9.236 1.220 5.729 1.00 1.00 C ATOM 876 C ARG A 55 -8.603 2.111 4.656 1.00 1.00 C ATOM 877 O ARG A 55 -7.454 1.916 4.260 1.00 1.00 O ATOM 878 CB ARG A 55 -8.142 0.692 6.674 1.00 1.00 C ATOM 879 CG ARG A 55 -8.690 -0.426 7.576 1.00 1.00 C ATOM 880 CD ARG A 55 -9.754 0.132 8.522 1.00 1.00 C ATOM 881 NE ARG A 55 -10.093 -0.858 9.538 1.00 1.00 N ATOM 882 CZ ARG A 55 -11.128 -0.675 10.349 1.00 1.00 C ATOM 883 NH1 ARG A 55 -11.861 0.398 10.229 1.00 1.00 N ATOM 884 NH2 ARG A 55 -11.413 -1.566 11.259 1.00 1.00 N ATOM 0 H ARG A 55 -9.333 -0.645 4.767 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.952 1.805 6.306 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -7.302 0.315 6.090 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.762 1.508 7.289 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -9.118 -1.220 6.964 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -7.878 -0.870 8.152 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -9.387 1.041 8.998 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -10.646 0.405 7.958 1.00 1.00 H new ATOM 0 HE ARG A 55 -9.527 -1.702 9.627 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -11.638 1.091 9.515 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -12.657 0.544 10.849 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -10.840 -2.405 11.348 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -12.209 -1.423 11.881 1.00 1.00 H new ATOM 898 N TYR A 56 -9.370 3.094 4.197 1.00 1.00 N ATOM 899 CA TYR A 56 -8.894 4.028 3.173 1.00 1.00 C ATOM 900 C TYR A 56 -7.942 5.053 3.793 1.00 1.00 C ATOM 901 O TYR A 56 -6.971 5.493 3.176 1.00 1.00 O ATOM 902 CB TYR A 56 -10.100 4.743 2.521 1.00 1.00 C ATOM 903 CG TYR A 56 -11.266 3.777 2.430 1.00 1.00 C ATOM 904 CD1 TYR A 56 -12.143 3.661 3.514 1.00 1.00 C ATOM 905 CD2 TYR A 56 -11.468 2.997 1.280 1.00 1.00 C ATOM 906 CE1 TYR A 56 -13.219 2.772 3.457 1.00 1.00 C ATOM 907 CE2 TYR A 56 -12.552 2.105 1.223 1.00 1.00 C ATOM 908 CZ TYR A 56 -13.424 1.994 2.313 1.00 1.00 C ATOM 909 OH TYR A 56 -14.488 1.116 2.260 1.00 1.00 O ATOM 0 H TYR A 56 -10.323 3.268 4.515 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.352 3.473 2.407 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.381 5.616 3.109 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.831 5.101 1.527 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -11.987 4.261 4.398 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -10.792 3.082 0.442 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -13.893 2.685 4.297 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -12.713 1.505 0.339 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.488 0.654 1.396 1.00 1.00 H new ATOM 919 N GLU A 57 -8.251 5.437 5.027 1.00 1.00 N ATOM 920 CA GLU A 57 -7.433 6.425 5.729 1.00 1.00 C ATOM 921 C GLU A 57 -6.041 5.874 6.025 1.00 1.00 C ATOM 922 O GLU A 57 -5.036 6.538 5.772 1.00 1.00 O ATOM 923 CB GLU A 57 -8.117 6.816 7.044 1.00 1.00 C ATOM 924 CG GLU A 57 -9.407 7.582 6.742 1.00 1.00 C ATOM 925 CD GLU A 57 -10.139 7.915 8.040 1.00 1.00 C ATOM 926 OE1 GLU A 57 -9.646 7.544 9.092 1.00 1.00 O ATOM 927 OE2 GLU A 57 -11.183 8.542 7.960 1.00 1.00 O ATOM 0 H GLU A 57 -9.049 5.087 5.557 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.328 7.301 5.089 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -8.340 5.924 7.629 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -7.448 7.432 7.645 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -9.176 8.499 6.201 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -10.050 6.985 6.096 1.00 1.00 H new ATOM 934 N GLU A 58 -6.003 4.659 6.564 1.00 1.00 N ATOM 935 CA GLU A 58 -4.729 4.033 6.899 1.00 1.00 C ATOM 936 C GLU A 58 -3.909 3.784 5.639 1.00 1.00 C ATOM 937 O GLU A 58 -2.715 4.077 5.597 1.00 1.00 O ATOM 938 CB GLU A 58 -4.970 2.705 7.620 1.00 1.00 C ATOM 939 CG GLU A 58 -5.766 2.949 8.909 1.00 1.00 C ATOM 940 CD GLU A 58 -4.933 3.759 9.900 1.00 1.00 C ATOM 941 OE1 GLU A 58 -3.725 3.801 9.735 1.00 1.00 O ATOM 942 OE2 GLU A 58 -5.518 4.333 10.804 1.00 1.00 O ATOM 0 H GLU A 58 -6.827 4.096 6.776 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.177 4.707 7.554 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.515 2.021 6.969 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.017 2.230 7.855 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -6.689 3.481 8.679 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.050 1.996 9.355 1.00 1.00 H new ATOM 949 N ALA A 59 -4.560 3.248 4.611 1.00 1.00 N ATOM 950 CA ALA A 59 -3.878 2.969 3.357 1.00 1.00 C ATOM 951 C ALA A 59 -3.232 4.235 2.802 1.00 1.00 C ATOM 952 O ALA A 59 -2.083 4.208 2.360 1.00 1.00 O ATOM 953 CB ALA A 59 -4.874 2.406 2.349 1.00 1.00 C ATOM 0 H ALA A 59 -5.550 3.001 4.623 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.093 2.236 3.540 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.362 2.197 1.410 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.306 1.484 2.740 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.667 3.133 2.176 1.00 1.00 H new ATOM 959 N VAL A 60 -3.969 5.341 2.837 1.00 1.00 N ATOM 960 CA VAL A 60 -3.453 6.609 2.343 1.00 1.00 C ATOM 961 C VAL A 60 -2.217 7.013 3.148 1.00 1.00 C ATOM 962 O VAL A 60 -1.265 7.571 2.601 1.00 1.00 O ATOM 963 CB VAL A 60 -4.551 7.696 2.420 1.00 1.00 C ATOM 964 CG1 VAL A 60 -3.940 9.097 2.221 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.607 7.445 1.325 1.00 1.00 C ATOM 0 H VAL A 60 -4.921 5.383 3.201 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.161 6.500 1.299 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.017 7.648 3.404 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.727 9.849 2.278 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.201 9.286 3.000 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.459 9.149 1.244 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.379 8.212 1.382 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.131 7.481 0.345 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.059 6.464 1.473 1.00 1.00 H new ATOM 975 N ASP A 61 -2.214 6.737 4.448 1.00 1.00 N ATOM 976 CA ASP A 61 -1.081 7.085 5.296 1.00 1.00 C ATOM 977 C ASP A 61 0.190 6.408 4.797 1.00 1.00 C ATOM 978 O ASP A 61 1.268 6.996 4.868 1.00 1.00 O ATOM 979 CB ASP A 61 -1.354 6.665 6.743 1.00 1.00 C ATOM 980 CG ASP A 61 -0.243 7.169 7.659 1.00 1.00 C ATOM 981 OD1 ASP A 61 0.072 8.347 7.587 1.00 1.00 O ATOM 982 OD2 ASP A 61 0.276 6.370 8.422 1.00 1.00 O ATOM 0 H ASP A 61 -2.981 6.275 4.936 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.944 8.166 5.256 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.314 7.065 7.070 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -1.423 5.579 6.807 1.00 1.00 H new ATOM 987 N CYS A 62 0.055 5.186 4.291 1.00 1.00 N ATOM 988 CA CYS A 62 1.205 4.455 3.777 1.00 1.00 C ATOM 989 C CYS A 62 1.693 5.081 2.476 1.00 1.00 C ATOM 990 O CYS A 62 2.884 5.353 2.324 1.00 1.00 O ATOM 991 CB CYS A 62 0.836 2.990 3.536 1.00 1.00 C ATOM 992 SG CYS A 62 0.380 2.212 5.105 1.00 1.00 S ATOM 0 H CYS A 62 -0.832 4.686 4.227 1.00 1.00 H new ATOM 0 HA CYS A 62 2.004 4.505 4.517 1.00 1.00 H new ATOM 0 HB2 CYS A 62 0.007 2.925 2.832 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.677 2.462 3.088 1.00 1.00 H new ATOM 0 HG CYS A 62 -0.740 2.717 5.530 1.00 1.00 H new ATOM 998 N TYR A 63 0.770 5.312 1.546 1.00 1.00 N ATOM 999 CA TYR A 63 1.140 5.915 0.266 1.00 1.00 C ATOM 1000 C TYR A 63 1.974 7.178 0.505 1.00 1.00 C ATOM 1001 O TYR A 63 2.992 7.390 -0.152 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.147 6.265 -0.532 1.00 1.00 C ATOM 1003 CG TYR A 63 0.125 7.369 -1.551 1.00 1.00 C ATOM 1004 CD1 TYR A 63 0.104 8.708 -1.138 1.00 1.00 C ATOM 1005 CD2 TYR A 63 0.412 7.057 -2.885 1.00 1.00 C ATOM 1006 CE1 TYR A 63 0.363 9.734 -2.053 1.00 1.00 C ATOM 1007 CE2 TYR A 63 0.669 8.087 -3.803 1.00 1.00 C ATOM 1008 CZ TYR A 63 0.645 9.425 -3.388 1.00 1.00 C ATOM 1009 OH TYR A 63 0.883 10.437 -4.297 1.00 1.00 O ATOM 0 H TYR A 63 -0.222 5.096 1.649 1.00 1.00 H new ATOM 0 HA TYR A 63 1.736 5.207 -0.309 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.515 5.376 -1.043 1.00 1.00 H new ATOM 0 HB3 TYR A 63 -0.930 6.585 0.156 1.00 1.00 H new ATOM 0 HD1 TYR A 63 -0.113 8.949 -0.108 1.00 1.00 H new ATOM 0 HD2 TYR A 63 0.436 6.026 -3.207 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.345 10.764 -1.729 1.00 1.00 H new ATOM 0 HE2 TYR A 63 0.886 7.847 -4.833 1.00 1.00 H new ATOM 0 HH TYR A 63 1.256 10.057 -5.120 1.00 1.00 H new ATOM 1019 N ASN A 64 1.527 8.015 1.435 1.00 1.00 N ATOM 1020 CA ASN A 64 2.245 9.243 1.726 1.00 1.00 C ATOM 1021 C ASN A 64 3.662 8.935 2.203 1.00 1.00 C ATOM 1022 O ASN A 64 4.567 9.739 1.982 1.00 1.00 O ATOM 1023 CB ASN A 64 1.498 10.049 2.790 1.00 1.00 C ATOM 1024 CG ASN A 64 0.170 10.551 2.231 1.00 1.00 C ATOM 1025 OD1 ASN A 64 -0.892 10.213 2.752 1.00 1.00 O ATOM 1026 ND2 ASN A 64 0.168 11.344 1.194 1.00 1.00 N ATOM 0 H ASN A 64 0.684 7.867 1.990 1.00 1.00 H new ATOM 0 HA ASN A 64 2.307 9.833 0.811 1.00 1.00 H new ATOM 0 HB2 ASN A 64 1.320 9.429 3.669 1.00 1.00 H new ATOM 0 HB3 ASN A 64 2.108 10.893 3.113 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -0.715 11.685 0.814 1.00 1.00 H new ATOM 0 HD22 ASN A 64 1.050 11.623 0.764 1.00 1.00 H new ATOM 1033 N TYR A 65 3.821 7.780 2.844 1.00 1.00 N ATOM 1034 CA TYR A 65 5.139 7.397 3.344 1.00 1.00 C ATOM 1035 C TYR A 65 6.144 7.367 2.192 1.00 1.00 C ATOM 1036 O TYR A 65 7.234 7.929 2.295 1.00 1.00 O ATOM 1037 CB TYR A 65 5.088 6.000 3.991 1.00 1.00 C ATOM 1038 CG TYR A 65 6.359 5.745 4.769 1.00 1.00 C ATOM 1039 CD1 TYR A 65 7.466 5.180 4.123 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.430 6.053 6.136 1.00 1.00 C ATOM 1041 CE1 TYR A 65 8.638 4.920 4.836 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.606 5.796 6.849 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.708 5.227 6.200 1.00 1.00 C ATOM 1044 OH TYR A 65 9.864 4.968 6.905 1.00 1.00 O ATOM 0 H TYR A 65 3.075 7.108 3.026 1.00 1.00 H new ATOM 0 HA TYR A 65 5.446 8.130 4.090 1.00 1.00 H new ATOM 0 HB2 TYR A 65 4.225 5.928 4.654 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.963 5.238 3.222 1.00 1.00 H new ATOM 0 HD1 TYR A 65 7.413 4.945 3.070 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.578 6.488 6.637 1.00 1.00 H new ATOM 0 HE1 TYR A 65 9.489 4.483 4.336 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.664 6.037 7.900 1.00 1.00 H new ATOM 0 HH TYR A 65 9.746 5.241 7.839 1.00 1.00 H new ATOM 1054 N VAL A 66 5.769 6.695 1.108 1.00 1.00 N ATOM 1055 CA VAL A 66 6.646 6.591 -0.055 1.00 1.00 C ATOM 1056 C VAL A 66 6.850 7.962 -0.705 1.00 1.00 C ATOM 1057 O VAL A 66 7.970 8.339 -1.050 1.00 1.00 O ATOM 1058 CB VAL A 66 6.053 5.607 -1.076 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.918 5.575 -2.346 1.00 1.00 C ATOM 1060 CG2 VAL A 66 6.012 4.205 -0.457 1.00 1.00 C ATOM 0 H VAL A 66 4.873 6.218 1.010 1.00 1.00 H new ATOM 0 HA VAL A 66 7.616 6.220 0.277 1.00 1.00 H new ATOM 0 HB VAL A 66 5.046 5.929 -1.340 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.488 4.874 -3.062 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.952 6.571 -2.788 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.929 5.257 -2.090 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.592 3.502 -1.176 1.00 1.00 H new ATOM 0 HG22 VAL A 66 7.023 3.894 -0.193 1.00 1.00 H new ATOM 0 HG23 VAL A 66 5.392 4.221 0.439 1.00 1.00 H new ATOM 1070 N ILE A 67 5.764 8.708 -0.880 1.00 1.00 N ATOM 1071 CA ILE A 67 5.839 10.031 -1.502 1.00 1.00 C ATOM 1072 C ILE A 67 6.531 11.021 -0.557 1.00 1.00 C ATOM 1073 O ILE A 67 7.131 12.002 -0.995 1.00 1.00 O ATOM 1074 CB ILE A 67 4.415 10.514 -1.900 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.993 9.887 -3.256 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.374 12.052 -2.033 1.00 1.00 C ATOM 1077 CD1 ILE A 67 3.651 8.406 -3.081 1.00 1.00 C ATOM 0 H ILE A 67 4.825 8.423 -0.602 1.00 1.00 H new ATOM 0 HA ILE A 67 6.436 9.970 -2.412 1.00 1.00 H new ATOM 0 HB ILE A 67 3.727 10.200 -1.115 1.00 1.00 H new ATOM 0 HG12 ILE A 67 3.131 10.420 -3.657 1.00 1.00 H new ATOM 0 HG13 ILE A 67 4.800 9.996 -3.980 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.368 12.366 -2.312 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.645 12.507 -1.080 1.00 1.00 H new ATOM 0 HG23 ILE A 67 5.080 12.370 -2.801 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.358 7.984 -4.042 1.00 1.00 H new ATOM 0 HD12 ILE A 67 4.523 7.873 -2.702 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.828 8.304 -2.374 1.00 1.00 H new ATOM 1089 N ASN A 68 6.449 10.760 0.744 1.00 1.00 N ATOM 1090 CA ASN A 68 7.067 11.645 1.735 1.00 1.00 C ATOM 1091 C ASN A 68 8.518 11.252 1.987 1.00 1.00 C ATOM 1092 O ASN A 68 9.435 11.986 1.621 1.00 1.00 O ATOM 1093 CB ASN A 68 6.280 11.568 3.045 1.00 1.00 C ATOM 1094 CG ASN A 68 6.885 12.508 4.084 1.00 1.00 C ATOM 1095 OD1 ASN A 68 8.036 12.339 4.486 1.00 1.00 O ATOM 1096 ND2 ASN A 68 6.167 13.497 4.545 1.00 1.00 N ATOM 0 H ASN A 68 5.966 9.952 1.137 1.00 1.00 H new ATOM 0 HA ASN A 68 7.049 12.664 1.349 1.00 1.00 H new ATOM 0 HB2 ASN A 68 5.238 11.834 2.867 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.288 10.545 3.422 1.00 1.00 H new ATOM 0 HD21 ASN A 68 6.560 14.132 5.240 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.213 13.635 4.210 1.00 1.00 H new ATOM 1103 N VAL A 69 8.690 10.094 2.618 1.00 1.00 N ATOM 1104 CA VAL A 69 10.033 9.613 2.929 1.00 1.00 C ATOM 1105 C VAL A 69 10.903 9.600 1.672 1.00 1.00 C ATOM 1106 O VAL A 69 12.027 10.101 1.693 1.00 1.00 O ATOM 1107 CB VAL A 69 9.954 8.192 3.517 1.00 1.00 C ATOM 1108 CG1 VAL A 69 11.376 7.676 3.803 1.00 1.00 C ATOM 1109 CG2 VAL A 69 9.093 8.190 4.823 1.00 1.00 C ATOM 0 H VAL A 69 7.932 9.481 2.919 1.00 1.00 H new ATOM 0 HA VAL A 69 10.482 10.286 3.659 1.00 1.00 H new ATOM 0 HB VAL A 69 9.475 7.530 2.796 1.00 1.00 H new ATOM 0 HG11 VAL A 69 11.321 6.670 4.219 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.949 7.654 2.876 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.867 8.338 4.517 1.00 1.00 H new ATOM 0 HG21 VAL A 69 9.047 7.179 5.227 1.00 1.00 H new ATOM 0 HG22 VAL A 69 9.547 8.854 5.559 1.00 1.00 H new ATOM 0 HG23 VAL A 69 8.085 8.536 4.595 1.00 1.00 H new ATOM 1119 N ILE A 70 10.389 9.046 0.581 1.00 1.00 N ATOM 1120 CA ILE A 70 11.132 8.977 -0.688 1.00 1.00 C ATOM 1121 C ILE A 70 10.560 9.997 -1.673 1.00 1.00 C ATOM 1122 O ILE A 70 9.377 9.971 -2.011 1.00 1.00 O ATOM 1123 CB ILE A 70 11.023 7.556 -1.281 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.417 6.516 -0.220 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.966 7.419 -2.479 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.107 5.106 -0.739 1.00 1.00 C ATOM 0 H ILE A 70 9.457 8.634 0.542 1.00 1.00 H new ATOM 0 HA ILE A 70 12.182 9.205 -0.504 1.00 1.00 H new ATOM 0 HB ILE A 70 9.994 7.388 -1.599 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.478 6.603 0.012 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.872 6.702 0.705 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.885 6.414 -2.893 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.694 8.149 -3.242 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.992 7.596 -2.157 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.387 4.371 0.015 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.041 5.022 -0.949 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.672 4.922 -1.653 1.00 1.00 H new ATOM 1138 N GLU A 71 11.399 10.913 -2.148 1.00 1.00 N ATOM 1139 CA GLU A 71 10.962 11.940 -3.089 1.00 1.00 C ATOM 1140 C GLU A 71 10.408 11.304 -4.360 1.00 1.00 C ATOM 1141 O GLU A 71 9.549 11.868 -5.038 1.00 1.00 O ATOM 1142 CB GLU A 71 12.140 12.857 -3.435 1.00 1.00 C ATOM 1143 CG GLU A 71 11.668 14.006 -4.335 1.00 1.00 C ATOM 1144 CD GLU A 71 12.832 14.950 -4.620 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.957 14.576 -4.330 1.00 1.00 O ATOM 1146 OE2 GLU A 71 12.582 16.030 -5.124 1.00 1.00 O ATOM 0 H GLU A 71 12.386 10.965 -1.897 1.00 1.00 H new ATOM 0 HA GLU A 71 10.170 12.527 -2.623 1.00 1.00 H new ATOM 0 HB2 GLU A 71 12.580 13.257 -2.521 1.00 1.00 H new ATOM 0 HB3 GLU A 71 12.919 12.286 -3.940 1.00 1.00 H new ATOM 0 HG2 GLU A 71 11.272 13.609 -5.270 1.00 1.00 H new ATOM 0 HG3 GLU A 71 10.857 14.550 -3.851 1.00 1.00 H new ATOM 1153 N ASP A 72 10.902 10.117 -4.702 1.00 1.00 N ATOM 1154 CA ASP A 72 10.452 9.412 -5.900 1.00 1.00 C ATOM 1155 C ASP A 72 8.931 9.342 -5.949 1.00 1.00 C ATOM 1156 O ASP A 72 8.321 8.376 -5.487 1.00 1.00 O ATOM 1157 CB ASP A 72 11.017 7.992 -5.911 1.00 1.00 C ATOM 1158 CG ASP A 72 12.537 8.041 -5.837 1.00 1.00 C ATOM 1159 OD1 ASP A 72 13.101 9.011 -6.317 1.00 1.00 O ATOM 1160 OD2 ASP A 72 13.113 7.115 -5.295 1.00 1.00 O ATOM 0 H ASP A 72 11.615 9.622 -4.166 1.00 1.00 H new ATOM 0 HA ASP A 72 10.810 9.961 -6.771 1.00 1.00 H new ATOM 0 HB2 ASP A 72 10.621 7.427 -5.068 1.00 1.00 H new ATOM 0 HB3 ASP A 72 10.704 7.473 -6.817 1.00 1.00 H new ATOM 1165 N GLU A 73 8.312 10.373 -6.515 1.00 1.00 N ATOM 1166 CA GLU A 73 6.850 10.441 -6.635 1.00 1.00 C ATOM 1167 C GLU A 73 6.418 10.066 -8.052 1.00 1.00 C ATOM 1168 O GLU A 73 5.224 10.011 -8.352 1.00 1.00 O ATOM 1169 CB GLU A 73 6.358 11.859 -6.290 1.00 1.00 C ATOM 1170 CG GLU A 73 7.061 12.916 -7.162 1.00 1.00 C ATOM 1171 CD GLU A 73 6.503 12.909 -8.583 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.352 12.540 -8.750 1.00 1.00 O ATOM 1173 OE2 GLU A 73 7.238 13.273 -9.485 1.00 1.00 O ATOM 0 H GLU A 73 8.800 11.181 -6.902 1.00 1.00 H new ATOM 0 HA GLU A 73 6.407 9.733 -5.935 1.00 1.00 H new ATOM 0 HB2 GLU A 73 5.280 11.919 -6.438 1.00 1.00 H new ATOM 0 HB3 GLU A 73 6.547 12.067 -5.237 1.00 1.00 H new ATOM 0 HG2 GLU A 73 6.929 13.904 -6.720 1.00 1.00 H new ATOM 0 HG3 GLU A 73 8.133 12.718 -7.187 1.00 1.00 H new ATOM 1180 N TYR A 74 7.394 9.821 -8.919 1.00 1.00 N ATOM 1181 CA TYR A 74 7.109 9.460 -10.313 1.00 1.00 C ATOM 1182 C TYR A 74 6.860 7.964 -10.440 1.00 1.00 C ATOM 1183 O TYR A 74 7.375 7.306 -11.345 1.00 1.00 O ATOM 1184 CB TYR A 74 8.282 9.862 -11.210 1.00 1.00 C ATOM 1185 CG TYR A 74 7.882 9.696 -12.661 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.020 10.627 -13.244 1.00 1.00 C ATOM 1187 CD2 TYR A 74 8.363 8.617 -13.420 1.00 1.00 C ATOM 1188 CE1 TYR A 74 6.633 10.486 -14.580 1.00 1.00 C ATOM 1189 CE2 TYR A 74 7.976 8.475 -14.758 1.00 1.00 C ATOM 1190 CZ TYR A 74 7.110 9.410 -15.338 1.00 1.00 C ATOM 1191 OH TYR A 74 6.723 9.273 -16.656 1.00 1.00 O ATOM 0 H TYR A 74 8.387 9.864 -8.688 1.00 1.00 H new ATOM 0 HA TYR A 74 6.212 9.994 -10.628 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.566 10.896 -11.015 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.153 9.245 -10.988 1.00 1.00 H new ATOM 0 HD1 TYR A 74 6.651 11.458 -12.661 1.00 1.00 H new ATOM 0 HD2 TYR A 74 9.031 7.897 -12.972 1.00 1.00 H new ATOM 0 HE1 TYR A 74 5.966 11.208 -15.028 1.00 1.00 H new ATOM 0 HE2 TYR A 74 8.345 7.645 -15.342 1.00 1.00 H new ATOM 0 HH TYR A 74 7.204 8.521 -17.062 1.00 1.00 H new ATOM 1201 N ASN A 75 6.061 7.430 -9.523 1.00 1.00 N ATOM 1202 CA ASN A 75 5.731 6.002 -9.533 1.00 1.00 C ATOM 1203 C ASN A 75 4.298 5.796 -10.022 1.00 1.00 C ATOM 1204 O ASN A 75 3.317 6.053 -9.323 1.00 1.00 O ATOM 1205 CB ASN A 75 5.901 5.447 -8.113 1.00 1.00 C ATOM 1206 CG ASN A 75 7.369 5.139 -7.826 1.00 1.00 C ATOM 1207 OD1 ASN A 75 7.986 5.790 -6.983 1.00 1.00 O ATOM 1208 ND2 ASN A 75 7.965 4.181 -8.481 1.00 1.00 N ATOM 0 H ASN A 75 5.629 7.958 -8.765 1.00 1.00 H new ATOM 0 HA ASN A 75 6.399 5.472 -10.212 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.527 6.170 -7.388 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.305 4.542 -7.997 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.945 3.969 -8.295 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.451 3.644 -9.179 1.00 1.00 H new ATOM 1215 N LYS A 76 4.175 5.314 -11.254 1.00 1.00 N ATOM 1216 CA LYS A 76 2.870 5.063 -11.848 1.00 1.00 C ATOM 1217 C LYS A 76 2.112 3.998 -11.054 1.00 1.00 C ATOM 1218 O LYS A 76 0.890 4.059 -10.921 1.00 1.00 O ATOM 1219 CB LYS A 76 3.057 4.607 -13.294 1.00 1.00 C ATOM 1220 CG LYS A 76 3.600 5.772 -14.127 1.00 1.00 C ATOM 1221 CD LYS A 76 3.880 5.286 -15.543 1.00 1.00 C ATOM 1222 CE LYS A 76 4.330 6.461 -16.412 1.00 1.00 C ATOM 1223 NZ LYS A 76 5.620 7.002 -15.893 1.00 1.00 N ATOM 0 H LYS A 76 4.964 5.090 -11.860 1.00 1.00 H new ATOM 0 HA LYS A 76 2.285 5.982 -11.826 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.746 3.764 -13.335 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.108 4.263 -13.704 1.00 1.00 H new ATOM 0 HG2 LYS A 76 2.879 6.589 -14.146 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.512 6.163 -13.677 1.00 1.00 H new ATOM 0 HD2 LYS A 76 4.652 4.516 -15.528 1.00 1.00 H new ATOM 0 HD3 LYS A 76 2.984 4.831 -15.965 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.450 6.137 -17.446 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.569 7.241 -16.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 5.700 8.008 -16.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 5.648 6.900 -14.858 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 6.412 6.476 -16.315 1.00 1.00 H new ATOM 1237 N ASP A 77 2.852 3.022 -10.539 1.00 1.00 N ATOM 1238 CA ASP A 77 2.234 1.948 -9.767 1.00 1.00 C ATOM 1239 C ASP A 77 1.717 2.464 -8.429 1.00 1.00 C ATOM 1240 O ASP A 77 0.586 2.180 -8.036 1.00 1.00 O ATOM 1241 CB ASP A 77 3.251 0.833 -9.518 1.00 1.00 C ATOM 1242 CG ASP A 77 3.637 0.184 -10.841 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.912 0.372 -11.806 1.00 1.00 O ATOM 1244 OD2 ASP A 77 4.652 -0.490 -10.873 1.00 1.00 O ATOM 0 H ASP A 77 3.865 2.951 -10.639 1.00 1.00 H new ATOM 0 HA ASP A 77 1.393 1.560 -10.342 1.00 1.00 H new ATOM 0 HB2 ASP A 77 4.137 1.238 -9.029 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.829 0.086 -8.845 1.00 1.00 H new ATOM 1249 N VAL A 78 2.558 3.221 -7.730 1.00 1.00 N ATOM 1250 CA VAL A 78 2.171 3.757 -6.432 1.00 1.00 C ATOM 1251 C VAL A 78 0.996 4.718 -6.575 1.00 1.00 C ATOM 1252 O VAL A 78 -0.012 4.582 -5.881 1.00 1.00 O ATOM 1253 CB VAL A 78 3.364 4.473 -5.788 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.949 5.088 -4.444 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.520 3.474 -5.571 1.00 1.00 C ATOM 0 H VAL A 78 3.498 3.473 -8.036 1.00 1.00 H new ATOM 0 HA VAL A 78 1.862 2.931 -5.792 1.00 1.00 H new ATOM 0 HB VAL A 78 3.698 5.269 -6.453 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.804 5.594 -3.996 1.00 1.00 H new ATOM 0 HG12 VAL A 78 2.146 5.807 -4.605 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.602 4.300 -3.775 1.00 1.00 H new ATOM 0 HG21 VAL A 78 5.365 3.989 -5.113 1.00 1.00 H new ATOM 0 HG22 VAL A 78 4.187 2.669 -4.916 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.826 3.057 -6.531 1.00 1.00 H new ATOM 1265 N TRP A 79 1.119 5.688 -7.474 1.00 1.00 N ATOM 1266 CA TRP A 79 0.052 6.657 -7.698 1.00 1.00 C ATOM 1267 C TRP A 79 -1.230 5.944 -8.125 1.00 1.00 C ATOM 1268 O TRP A 79 -2.320 6.275 -7.660 1.00 1.00 O ATOM 1269 CB TRP A 79 0.487 7.678 -8.771 1.00 1.00 C ATOM 1270 CG TRP A 79 1.303 8.781 -8.158 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.565 8.661 -7.682 1.00 1.00 C ATOM 1272 CD2 TRP A 79 0.924 10.174 -7.957 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.981 9.891 -7.200 1.00 1.00 N ATOM 1274 CE2 TRP A 79 2.003 10.855 -7.350 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -0.246 10.902 -8.243 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 1.925 12.214 -7.034 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -0.326 12.267 -7.927 1.00 1.00 C ATOM 1278 CH2 TRP A 79 0.756 12.921 -7.325 1.00 1.00 C ATOM 0 H TRP A 79 1.944 5.824 -8.058 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.145 7.189 -6.767 1.00 1.00 H new ATOM 0 HB2 TRP A 79 1.069 7.175 -9.543 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.393 8.098 -9.258 1.00 1.00 H new ATOM 0 HD1 TRP A 79 3.151 7.754 -7.679 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.897 10.064 -6.785 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -1.086 10.408 -8.708 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 2.762 12.714 -6.569 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -1.228 12.817 -8.150 1.00 1.00 H new ATOM 0 HH2 TRP A 79 0.687 13.972 -7.086 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.107 4.959 -9.012 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.269 4.221 -9.480 1.00 1.00 C ATOM 1291 C ALA A 80 -2.943 3.486 -8.326 1.00 1.00 C ATOM 1292 O ALA A 80 -4.169 3.410 -8.264 1.00 1.00 O ATOM 1293 CB ALA A 80 -1.843 3.217 -10.553 1.00 1.00 C ATOM 0 H ALA A 80 -0.220 4.658 -9.416 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.982 4.928 -9.903 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.716 2.665 -10.902 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.391 3.749 -11.390 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.118 2.520 -10.132 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.130 2.948 -7.421 1.00 1.00 N ATOM 1300 CA ALA A 81 -2.660 2.221 -6.273 1.00 1.00 C ATOM 1301 C ALA A 81 -3.523 3.131 -5.407 1.00 1.00 C ATOM 1302 O ALA A 81 -4.607 2.741 -4.972 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.511 1.658 -5.437 1.00 1.00 C ATOM 0 H ALA A 81 -1.112 3.001 -7.459 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.278 1.402 -6.642 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -1.915 1.116 -4.582 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -0.915 0.980 -6.048 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -0.882 2.476 -5.085 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.042 4.346 -5.163 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.779 5.301 -4.343 1.00 1.00 C ATOM 1311 C LYS A 82 -5.151 5.580 -4.955 1.00 1.00 C ATOM 1312 O LYS A 82 -6.154 5.687 -4.249 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.994 6.620 -4.239 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.529 7.456 -3.069 1.00 1.00 C ATOM 1315 CD LYS A 82 -2.903 8.846 -3.110 1.00 1.00 C ATOM 1316 CE LYS A 82 -3.415 9.688 -1.941 1.00 1.00 C ATOM 1317 NZ LYS A 82 -2.826 11.054 -2.024 1.00 1.00 N ATOM 0 H LYS A 82 -2.151 4.691 -5.519 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.910 4.873 -3.349 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.934 6.412 -4.094 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -3.084 7.181 -5.169 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.615 7.532 -3.129 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.296 6.968 -2.123 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -1.817 8.766 -3.062 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -3.145 9.335 -4.054 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -4.503 9.746 -1.969 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.145 9.220 -0.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -3.118 11.609 -1.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -1.789 10.984 -2.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -3.160 11.524 -2.890 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.190 5.698 -6.279 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.446 5.973 -6.974 1.00 1.00 C ATOM 1333 C ALA A 83 -7.531 5.000 -6.530 1.00 1.00 C ATOM 1334 O ALA A 83 -8.641 5.415 -6.200 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.243 5.851 -8.485 1.00 1.00 C ATOM 0 H ALA A 83 -4.376 5.609 -6.888 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.759 6.987 -6.727 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.183 6.057 -8.996 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.489 6.568 -8.810 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.912 4.841 -8.727 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.197 3.715 -6.515 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.152 2.698 -6.106 1.00 1.00 C ATOM 1343 C ASP A 84 -8.677 3.008 -4.704 1.00 1.00 C ATOM 1344 O ASP A 84 -9.874 2.880 -4.444 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.483 1.319 -6.113 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.208 0.868 -7.545 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.747 1.478 -8.455 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.460 -0.082 -7.713 1.00 1.00 O ATOM 0 H ASP A 84 -6.279 3.357 -6.779 1.00 1.00 H new ATOM 0 HA ASP A 84 -8.986 2.695 -6.808 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.549 1.358 -5.552 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.125 0.594 -5.614 1.00 1.00 H new ATOM 1353 N ALA A 85 -7.787 3.419 -3.808 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.189 3.745 -2.445 1.00 1.00 C ATOM 1355 C ALA A 85 -9.112 4.955 -2.434 1.00 1.00 C ATOM 1356 O ALA A 85 -10.106 4.985 -1.709 1.00 1.00 O ATOM 1357 CB ALA A 85 -6.956 4.040 -1.582 1.00 1.00 C ATOM 0 H ALA A 85 -6.791 3.534 -3.998 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.721 2.887 -2.035 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.272 4.282 -0.567 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.308 3.164 -1.561 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.411 4.885 -2.003 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.778 5.956 -3.244 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.576 7.168 -3.328 1.00 1.00 C ATOM 1365 C LEU A 86 -10.940 6.867 -3.948 1.00 1.00 C ATOM 1366 O LEU A 86 -11.894 7.622 -3.758 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.836 8.206 -4.180 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.526 8.637 -3.487 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.676 9.443 -4.476 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -7.818 9.507 -2.241 1.00 1.00 C ATOM 0 H LEU A 86 -7.958 5.948 -3.851 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.731 7.561 -2.323 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.615 7.788 -5.162 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.473 9.076 -4.340 1.00 1.00 H new ATOM 0 HG LEU A 86 -6.992 7.742 -3.167 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.749 9.751 -3.992 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.445 8.826 -5.344 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.229 10.326 -4.795 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -6.878 9.797 -1.771 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.365 10.401 -2.541 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.417 8.937 -1.531 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.022 5.760 -4.676 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.285 5.386 -5.317 1.00 1.00 C ATOM 1384 C ARG A 87 -13.286 4.865 -4.273 1.00 1.00 C ATOM 1385 O ARG A 87 -14.181 4.087 -4.603 1.00 1.00 O ATOM 1386 CB ARG A 87 -12.015 4.322 -6.399 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.197 4.239 -7.380 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.893 3.207 -8.456 1.00 1.00 C ATOM 1389 NE ARG A 87 -13.958 3.214 -9.452 1.00 1.00 N ATOM 1390 CZ ARG A 87 -15.099 2.560 -9.246 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -15.272 1.882 -8.144 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -16.046 2.603 -10.140 1.00 1.00 N ATOM 0 H ARG A 87 -10.249 5.115 -4.838 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.724 6.265 -5.788 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.102 4.569 -6.941 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.855 3.351 -5.931 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -14.107 3.966 -6.846 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.374 5.213 -7.835 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -11.937 3.430 -8.929 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -12.804 2.216 -8.010 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.826 3.729 -10.322 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -14.533 1.854 -7.441 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -16.146 1.381 -7.986 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -15.913 3.138 -10.998 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -16.920 2.102 -9.982 1.00 1.00 H new ATOM 1406 N TYR A 88 -13.121 5.307 -3.032 1.00 1.00 N ATOM 1407 CA TYR A 88 -14.002 4.903 -1.938 1.00 1.00 C ATOM 1408 C TYR A 88 -13.942 5.915 -0.793 1.00 1.00 C ATOM 1409 O TYR A 88 -14.167 5.570 0.368 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.602 3.510 -1.432 1.00 1.00 C ATOM 1411 CG TYR A 88 -13.925 2.480 -2.495 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.223 1.971 -2.596 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -12.933 2.044 -3.385 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -15.534 1.029 -3.581 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.245 1.100 -4.371 1.00 1.00 C ATOM 1416 CZ TYR A 88 -14.545 0.593 -4.469 1.00 1.00 C ATOM 1417 OH TYR A 88 -14.854 -0.335 -5.443 1.00 1.00 O ATOM 0 H TYR A 88 -12.380 5.950 -2.755 1.00 1.00 H new ATOM 0 HA TYR A 88 -15.025 4.868 -2.312 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.538 3.487 -1.198 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.136 3.278 -0.510 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -15.988 2.306 -1.911 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -11.929 2.436 -3.310 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -16.538 0.638 -3.656 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -12.481 0.763 -5.056 1.00 1.00 H new ATOM 0 HH TYR A 88 -14.055 -0.529 -5.976 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.644 7.170 -1.111 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.562 8.248 -0.106 1.00 1.00 C ATOM 1429 C ILE A 89 -14.394 9.450 -0.550 1.00 1.00 C ATOM 1430 O ILE A 89 -14.377 9.839 -1.719 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.085 8.671 0.103 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -11.935 9.459 1.421 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -11.601 9.552 -1.067 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.448 9.690 1.716 1.00 1.00 C ATOM 0 H ILE A 89 -13.452 7.478 -2.064 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.960 7.876 0.838 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.479 7.766 0.147 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.454 10.415 1.346 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.397 8.908 2.240 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -10.562 9.838 -0.901 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -11.679 8.993 -2.000 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -12.219 10.448 -1.128 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.344 10.247 2.647 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.942 8.729 1.809 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.000 10.259 0.901 1.00 1.00 H new ATOM 1446 N GLU A 90 -15.120 10.050 0.387 1.00 1.00 N ATOM 1447 CA GLU A 90 -15.949 11.214 0.081 1.00 1.00 C ATOM 1448 C GLU A 90 -15.105 12.483 0.095 1.00 1.00 C ATOM 1449 O GLU A 90 -14.068 12.549 0.752 1.00 1.00 O ATOM 1450 CB GLU A 90 -17.076 11.329 1.108 1.00 1.00 C ATOM 1451 CG GLU A 90 -18.032 10.146 0.938 1.00 1.00 C ATOM 1452 CD GLU A 90 -19.128 10.192 1.998 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -19.134 11.129 2.780 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -19.947 9.289 2.010 1.00 1.00 O ATOM 0 H GLU A 90 -15.153 9.752 1.362 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.378 11.090 -0.913 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.665 11.338 2.118 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -17.613 12.268 0.974 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -18.478 10.170 -0.056 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -17.480 9.210 1.017 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.435 15.046 -8.015 1.00 1.00 N ATOM 1506 CA VAL A 94 -14.114 13.632 -8.167 1.00 1.00 C ATOM 1507 C VAL A 94 -12.622 13.398 -7.927 1.00 1.00 C ATOM 1508 O VAL A 94 -11.813 13.499 -8.847 1.00 1.00 O ATOM 1509 CB VAL A 94 -14.495 13.161 -9.577 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -14.521 11.630 -9.629 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -15.880 13.707 -9.942 1.00 1.00 C ATOM 0 HA VAL A 94 -14.681 13.062 -7.432 1.00 1.00 H new ATOM 0 HB VAL A 94 -13.756 13.531 -10.288 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -14.792 11.305 -10.633 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -13.535 11.241 -9.375 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -15.254 11.254 -8.915 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -16.151 13.372 -10.943 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -16.616 13.341 -9.226 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -15.860 14.797 -9.916 1.00 1.00 H new ATOM 1521 N GLU A 95 -12.268 13.086 -6.685 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.869 12.845 -6.341 1.00 1.00 C ATOM 1523 C GLU A 95 -10.311 11.669 -7.134 1.00 1.00 C ATOM 1524 O GLU A 95 -9.226 11.748 -7.711 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.739 12.557 -4.841 1.00 1.00 C ATOM 1526 CG GLU A 95 -11.059 13.823 -4.042 1.00 1.00 C ATOM 1527 CD GLU A 95 -11.020 13.529 -2.545 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -10.711 12.403 -2.184 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -11.299 14.436 -1.778 1.00 1.00 O ATOM 0 H GLU A 95 -12.921 12.994 -5.907 1.00 1.00 H new ATOM 0 HA GLU A 95 -10.298 13.739 -6.592 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.418 11.754 -4.555 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.729 12.217 -4.613 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -10.340 14.606 -4.285 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -12.044 14.198 -4.320 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.059 10.570 -7.163 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.618 9.385 -7.886 1.00 1.00 C ATOM 1538 C ALA A 96 -10.249 9.734 -9.326 1.00 1.00 C ATOM 1539 O ALA A 96 -9.414 9.067 -9.937 1.00 1.00 O ATOM 1540 CB ALA A 96 -11.732 8.335 -7.874 1.00 1.00 C ATOM 0 H ALA A 96 -11.963 10.476 -6.700 1.00 1.00 H new ATOM 0 HA ALA A 96 -9.732 8.985 -7.393 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -11.402 7.448 -8.415 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -11.967 8.065 -6.844 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -12.622 8.743 -8.354 1.00 1.00 H new ATOM 1546 N GLU A 97 -10.872 10.780 -9.858 1.00 1.00 N ATOM 1547 CA GLU A 97 -10.591 11.201 -11.229 1.00 1.00 C ATOM 1548 C GLU A 97 -9.245 11.909 -11.305 1.00 1.00 C ATOM 1549 O GLU A 97 -8.466 11.692 -12.233 1.00 1.00 O ATOM 1550 CB GLU A 97 -11.691 12.142 -11.726 1.00 1.00 C ATOM 1551 CG GLU A 97 -11.510 12.415 -13.221 1.00 1.00 C ATOM 1552 CD GLU A 97 -12.660 13.278 -13.729 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.380 13.819 -12.905 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -12.806 13.384 -14.935 1.00 1.00 O ATOM 0 H GLU A 97 -11.566 11.346 -9.370 1.00 1.00 H new ATOM 0 HA GLU A 97 -10.561 10.313 -11.861 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.670 11.698 -11.545 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.658 13.079 -11.170 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -10.560 12.919 -13.396 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -11.478 11.474 -13.771 1.00 1.00 H new ATOM 1561 N ILE A 98 -8.975 12.769 -10.328 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.722 13.510 -10.298 1.00 1.00 C ATOM 1563 C ILE A 98 -6.544 12.545 -10.226 1.00 1.00 C ATOM 1564 O ILE A 98 -5.578 12.682 -10.975 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.697 14.449 -9.079 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.932 15.361 -9.111 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.438 15.319 -9.121 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -9.025 16.181 -7.818 1.00 1.00 C ATOM 0 H ILE A 98 -9.605 12.968 -9.551 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.642 14.102 -11.210 1.00 1.00 H new ATOM 0 HB ILE A 98 -7.699 13.851 -8.168 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.876 16.030 -9.970 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -9.833 14.760 -9.233 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -6.425 15.982 -8.256 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.554 14.681 -9.103 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -6.437 15.914 -10.034 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.906 16.822 -7.856 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.104 15.507 -6.965 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -8.132 16.797 -7.713 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.625 11.569 -9.326 1.00 1.00 N ATOM 1581 CA ALA A 99 -5.541 10.604 -9.186 1.00 1.00 C ATOM 1582 C ALA A 99 -5.453 9.695 -10.409 1.00 1.00 C ATOM 1583 O ALA A 99 -4.363 9.441 -10.922 1.00 1.00 O ATOM 1584 CB ALA A 99 -5.764 9.755 -7.934 1.00 1.00 C ATOM 0 H ALA A 99 -7.413 11.427 -8.695 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.604 11.155 -9.098 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -4.952 9.035 -7.833 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -5.788 10.401 -7.056 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -6.712 9.223 -8.019 1.00 1.00 H new ATOM 1590 N GLU A 100 -6.612 9.221 -10.854 1.00 1.00 N ATOM 1591 CA GLU A 100 -6.649 8.337 -12.014 1.00 1.00 C ATOM 1592 C GLU A 100 -6.033 9.035 -13.227 1.00 1.00 C ATOM 1593 O GLU A 100 -5.221 8.441 -13.938 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.100 7.924 -12.316 1.00 1.00 C ATOM 1595 CG GLU A 100 -8.149 6.909 -13.468 1.00 1.00 C ATOM 1596 CD GLU A 100 -7.494 5.599 -13.045 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -7.417 5.357 -11.850 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -7.079 4.856 -13.918 1.00 1.00 O ATOM 0 H GLU A 100 -7.521 9.428 -10.440 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.068 7.441 -11.795 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -8.553 7.491 -11.424 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -8.687 8.805 -12.576 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -9.184 6.729 -13.760 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -7.638 7.314 -14.341 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.427 10.282 -13.460 1.00 1.00 N ATOM 1606 CA ALA A 101 -5.900 11.037 -14.592 1.00 1.00 C ATOM 1607 C ALA A 101 -4.416 11.354 -14.394 1.00 1.00 C ATOM 1608 O ALA A 101 -3.618 11.207 -15.319 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.689 12.338 -14.765 1.00 1.00 C ATOM 0 H ALA A 101 -7.102 10.788 -12.887 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.006 10.426 -15.489 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.290 12.896 -15.612 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.738 12.106 -14.946 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.601 12.940 -13.860 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.054 11.790 -13.191 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.656 12.114 -12.899 1.00 1.00 C ATOM 1617 C ARG A 102 -1.766 10.883 -13.091 1.00 1.00 C ATOM 1618 O ARG A 102 -0.635 11.001 -13.562 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.503 12.651 -11.462 1.00 1.00 C ATOM 1620 CG ARG A 102 -2.951 14.114 -11.381 1.00 1.00 C ATOM 1621 CD ARG A 102 -2.786 14.597 -9.939 1.00 1.00 C ATOM 1622 NE ARG A 102 -3.274 15.961 -9.794 1.00 1.00 N ATOM 1623 CZ ARG A 102 -2.985 16.685 -8.717 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -2.248 16.177 -7.764 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -3.435 17.903 -8.611 1.00 1.00 N ATOM 0 H ARG A 102 -4.697 11.927 -12.411 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.341 12.891 -13.596 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.096 12.045 -10.777 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -1.464 12.565 -11.145 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -2.356 14.729 -12.056 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -3.990 14.209 -11.695 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -3.331 13.937 -9.264 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -1.736 14.549 -9.652 1.00 1.00 H new ATOM 0 HE ARG A 102 -3.848 16.369 -10.532 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -1.894 15.224 -7.846 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -2.027 16.734 -6.938 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -4.009 18.301 -9.354 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -3.213 18.458 -7.785 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.263 9.706 -12.728 1.00 1.00 N ATOM 1640 CA ALA A 103 -1.486 8.477 -12.870 1.00 1.00 C ATOM 1641 C ALA A 103 -1.184 8.191 -14.343 1.00 1.00 C ATOM 1642 O ALA A 103 -0.080 7.766 -14.680 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.263 7.301 -12.269 1.00 1.00 C ATOM 0 H ALA A 103 -3.195 9.575 -12.335 1.00 1.00 H new ATOM 0 HA ALA A 103 -0.542 8.604 -12.340 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -1.680 6.386 -12.377 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -2.449 7.490 -11.212 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -3.214 7.189 -12.790 1.00 1.00 H new ATOM 1649 N LYS A 104 -2.171 8.422 -15.203 1.00 1.00 N ATOM 1650 CA LYS A 104 -2.007 8.184 -16.649 1.00 1.00 C ATOM 1651 C LYS A 104 -1.560 9.458 -17.365 1.00 1.00 C ATOM 1652 O LYS A 104 -1.119 9.411 -18.513 1.00 1.00 O ATOM 1653 CB LYS A 104 -3.328 7.702 -17.256 1.00 1.00 C ATOM 1654 CG LYS A 104 -3.687 6.318 -16.696 1.00 1.00 C ATOM 1655 CD LYS A 104 -4.884 5.735 -17.465 1.00 1.00 C ATOM 1656 CE LYS A 104 -6.147 6.571 -17.218 1.00 1.00 C ATOM 1657 NZ LYS A 104 -7.343 5.785 -17.636 1.00 1.00 N ATOM 0 H LYS A 104 -3.091 8.772 -14.935 1.00 1.00 H new ATOM 0 HA LYS A 104 -1.241 7.419 -16.779 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -4.123 8.413 -17.030 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -3.243 7.654 -18.342 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -2.830 5.649 -16.779 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -3.928 6.397 -15.636 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -4.661 5.711 -18.532 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -5.057 4.705 -17.152 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -6.222 6.837 -16.163 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -6.096 7.504 -17.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -8.203 6.347 -17.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -7.270 5.553 -18.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -7.392 4.906 -17.082 1.00 1.00 H new ATOM 1671 N LEU A 105 -1.676 10.587 -16.674 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.270 11.878 -17.261 1.00 1.00 C ATOM 1673 C LEU A 105 0.066 12.317 -16.679 1.00 1.00 C ATOM 1674 O LEU A 105 0.184 12.609 -15.489 1.00 1.00 O ATOM 1675 CB LEU A 105 -2.329 12.951 -16.979 1.00 1.00 C ATOM 1676 CG LEU A 105 -2.014 14.258 -17.739 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -2.094 14.057 -19.270 1.00 1.00 C ATOM 1678 CD2 LEU A 105 -3.030 15.321 -17.299 1.00 1.00 C ATOM 0 H LEU A 105 -2.040 10.645 -15.723 1.00 1.00 H new ATOM 0 HA LEU A 105 -1.172 11.752 -18.339 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -3.311 12.583 -17.274 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -2.372 13.151 -15.908 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.997 14.572 -17.505 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -1.867 14.997 -19.773 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -1.373 13.298 -19.576 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -3.099 13.734 -19.543 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -2.829 16.256 -17.823 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -4.038 14.982 -17.537 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -2.946 15.482 -16.224 1.00 1.00 H new