USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot -77:sc= 2.89 USER MOD Set 1.2: A 35 THR OG1 : rot -20:sc= 1.17 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.132 X(o=-0.19,f=0.17) USER MOD Set 2.2: A 25 TYR OH : rot 37:sc= -0.0619 USER MOD Single : A 9 LYS NZ :NH3+ -109:sc= 1.28 (180deg=0.148) USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 26 SER OG : rot 36:sc= 0.272 USER MOD Single : A 37 THR OG1 : rot -140:sc= 0 USER MOD Single : A 44 THR OG1 : rot -68:sc= 0.131 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 48 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0023) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 65 GLN : amide:sc= 1.02 K(o=1,f=-0.48) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.380 -12.164 1.054 1.00 0.00 N ATOM 67 CA PHE A 8 2.057 -10.878 1.187 1.00 0.00 C ATOM 68 C PHE A 8 1.036 -9.739 1.180 1.00 0.00 C ATOM 69 O PHE A 8 0.989 -8.945 2.119 1.00 0.00 O ATOM 70 CB PHE A 8 3.104 -10.698 0.081 1.00 0.00 C ATOM 71 CG PHE A 8 3.585 -9.265 0.005 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.422 -8.756 1.014 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.089 -8.402 -0.992 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.739 -7.389 1.036 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.408 -7.036 -0.960 1.00 0.00 C ATOM 76 CZ PHE A 8 4.209 -6.525 0.069 1.00 0.00 C ATOM 0 HA PHE A 8 2.582 -10.856 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.951 -11.358 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.677 -10.992 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.820 -9.416 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.463 -8.792 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.394 -7.001 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.035 -6.377 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.418 -5.466 0.117 1.00 0.00 H new ATOM 86 N LYS A 9 0.182 -9.689 0.152 1.00 0.00 N ATOM 87 CA LYS A 9 -0.825 -8.643 0.004 1.00 0.00 C ATOM 88 C LYS A 9 -1.754 -8.590 1.222 1.00 0.00 C ATOM 89 O LYS A 9 -2.221 -7.511 1.560 1.00 0.00 O ATOM 90 CB LYS A 9 -1.584 -8.869 -1.318 1.00 0.00 C ATOM 91 CG LYS A 9 -2.402 -7.660 -1.799 1.00 0.00 C ATOM 92 CD LYS A 9 -3.174 -8.014 -3.083 1.00 0.00 C ATOM 93 CE LYS A 9 -3.839 -6.758 -3.645 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.516 -6.959 -4.945 1.00 0.00 N ATOM 0 H LYS A 9 0.173 -10.377 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.343 -7.666 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.866 -9.137 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.254 -9.720 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.100 -7.351 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.739 -6.815 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.495 -8.440 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.928 -8.772 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.568 -6.392 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.084 -5.980 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.976 -6.481 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.572 -7.976 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.476 -6.561 -4.902 1.00 0.00 H new ATOM 108 N ALA A 10 -2.029 -9.719 1.883 1.00 0.00 N ATOM 109 CA ALA A 10 -2.934 -9.783 3.024 1.00 0.00 C ATOM 110 C ALA A 10 -2.277 -9.257 4.298 1.00 0.00 C ATOM 111 O ALA A 10 -2.939 -8.566 5.067 1.00 0.00 O ATOM 112 CB ALA A 10 -3.408 -11.226 3.219 1.00 0.00 C ATOM 0 H ALA A 10 -1.623 -10.621 1.634 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.791 -9.143 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.085 -11.275 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.929 -11.562 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.548 -11.870 3.401 1.00 0.00 H new ATOM 118 N GLU A 11 -0.998 -9.552 4.545 1.00 0.00 N ATOM 119 CA GLU A 11 -0.276 -8.920 5.654 1.00 0.00 C ATOM 120 C GLU A 11 -0.188 -7.417 5.409 1.00 0.00 C ATOM 121 O GLU A 11 -0.370 -6.614 6.319 1.00 0.00 O ATOM 122 CB GLU A 11 1.150 -9.471 5.758 1.00 0.00 C ATOM 123 CG GLU A 11 1.391 -10.453 6.898 1.00 0.00 C ATOM 124 CD GLU A 11 1.409 -9.714 8.240 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.490 -9.204 8.626 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.337 -9.589 8.869 1.00 0.00 O ATOM 0 H GLU A 11 -0.446 -10.215 4.001 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.815 -9.132 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.400 -9.963 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.838 -8.633 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.610 -11.213 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.338 -10.971 6.747 1.00 0.00 H new ATOM 133 N LEU A 12 0.128 -7.036 4.173 1.00 0.00 N ATOM 134 CA LEU A 12 0.310 -5.650 3.787 1.00 0.00 C ATOM 135 C LEU A 12 -1.003 -4.878 3.924 1.00 0.00 C ATOM 136 O LEU A 12 -0.990 -3.748 4.400 1.00 0.00 O ATOM 137 CB LEU A 12 0.861 -5.628 2.360 1.00 0.00 C ATOM 138 CG LEU A 12 1.430 -4.262 1.961 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.806 -4.006 2.597 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.511 -4.226 0.438 1.00 0.00 C ATOM 0 H LEU A 12 0.265 -7.694 3.406 1.00 0.00 H new ATOM 0 HA LEU A 12 1.022 -5.152 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.642 -6.383 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.067 -5.902 1.665 1.00 0.00 H new ATOM 0 HG LEU A 12 0.778 -3.469 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.173 -3.027 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.716 -4.034 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.506 -4.775 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.913 -3.265 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.163 -5.027 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.515 -4.361 0.017 1.00 0.00 H new ATOM 152 N ASN A 13 -2.132 -5.496 3.566 1.00 0.00 N ATOM 153 CA ASN A 13 -3.475 -5.010 3.838 1.00 0.00 C ATOM 154 C ASN A 13 -3.650 -4.789 5.337 1.00 0.00 C ATOM 155 O ASN A 13 -4.036 -3.696 5.740 1.00 0.00 O ATOM 156 CB ASN A 13 -4.513 -6.038 3.350 1.00 0.00 C ATOM 157 CG ASN A 13 -5.168 -5.729 2.018 1.00 0.00 C ATOM 158 OD1 ASN A 13 -5.064 -6.510 1.075 1.00 0.00 O ATOM 159 ND2 ASN A 13 -5.950 -4.671 1.919 1.00 0.00 N ATOM 0 H ASN A 13 -2.128 -6.382 3.060 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.624 -4.067 3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.027 -7.011 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.293 -6.126 4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.470 -4.500 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.035 -4.024 2.703 1.00 0.00 H new ATOM 166 N GLU A 14 -3.424 -5.814 6.162 1.00 0.00 N ATOM 167 CA GLU A 14 -3.694 -5.758 7.599 1.00 0.00 C ATOM 168 C GLU A 14 -2.785 -4.765 8.330 1.00 0.00 C ATOM 169 O GLU A 14 -3.202 -4.199 9.346 1.00 0.00 O ATOM 170 CB GLU A 14 -3.568 -7.165 8.203 1.00 0.00 C ATOM 171 CG GLU A 14 -4.863 -7.972 8.023 1.00 0.00 C ATOM 172 CD GLU A 14 -5.994 -7.346 8.845 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.008 -7.515 10.084 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.816 -6.583 8.300 1.00 0.00 O ATOM 0 H GLU A 14 -3.047 -6.709 5.850 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.713 -5.395 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.740 -7.693 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.331 -7.087 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.141 -7.998 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.704 -9.004 8.336 1.00 0.00 H new ATOM 181 N PHE A 15 -1.574 -4.529 7.820 1.00 0.00 N ATOM 182 CA PHE A 15 -0.706 -3.433 8.226 1.00 0.00 C ATOM 183 C PHE A 15 -1.363 -2.108 7.839 1.00 0.00 C ATOM 184 O PHE A 15 -1.733 -1.310 8.698 1.00 0.00 O ATOM 185 CB PHE A 15 0.686 -3.608 7.594 1.00 0.00 C ATOM 186 CG PHE A 15 1.590 -2.410 7.810 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.150 -2.158 9.077 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.811 -1.500 6.759 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.925 -1.003 9.284 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.559 -0.331 6.972 1.00 0.00 C ATOM 191 CZ PHE A 15 3.123 -0.087 8.236 1.00 0.00 C ATOM 0 H PHE A 15 -1.163 -5.115 7.093 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.567 -3.433 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.161 -4.495 8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.574 -3.783 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.985 -2.851 9.889 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.402 -1.703 5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.369 -0.819 10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.700 0.377 6.169 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.709 0.805 8.402 1.00 0.00 H new ATOM 201 N LEU A 16 -1.522 -1.880 6.533 1.00 0.00 N ATOM 202 CA LEU A 16 -1.941 -0.597 5.984 1.00 0.00 C ATOM 203 C LEU A 16 -3.287 -0.140 6.525 1.00 0.00 C ATOM 204 O LEU A 16 -3.450 1.046 6.779 1.00 0.00 O ATOM 205 CB LEU A 16 -2.011 -0.673 4.458 1.00 0.00 C ATOM 206 CG LEU A 16 -0.645 -0.655 3.758 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.843 -1.052 2.294 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.030 0.715 3.873 1.00 0.00 C ATOM 0 H LEU A 16 -1.360 -2.593 5.822 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.194 0.134 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.538 -1.584 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.604 0.165 4.092 1.00 0.00 H new ATOM 0 HG LEU A 16 0.018 -1.369 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.119 -1.044 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.273 -2.052 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.516 -0.343 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.994 0.689 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.603 1.472 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.180 0.960 4.925 1.00 0.00 H new ATOM 220 N THR A 17 -4.226 -1.060 6.735 1.00 0.00 N ATOM 221 CA THR A 17 -5.534 -0.768 7.308 1.00 0.00 C ATOM 222 C THR A 17 -5.381 0.026 8.608 1.00 0.00 C ATOM 223 O THR A 17 -6.057 1.028 8.821 1.00 0.00 O ATOM 224 CB THR A 17 -6.282 -2.089 7.564 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.447 -2.824 6.366 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.659 -1.854 8.178 1.00 0.00 C ATOM 0 H THR A 17 -4.095 -2.046 6.507 1.00 0.00 H new ATOM 0 HA THR A 17 -6.109 -0.161 6.608 1.00 0.00 H new ATOM 0 HB THR A 17 -5.669 -2.655 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.663 -3.394 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.152 -2.812 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.549 -1.335 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.261 -1.247 7.501 1.00 0.00 H new ATOM 234 N ARG A 18 -4.500 -0.447 9.489 1.00 0.00 N ATOM 235 CA ARG A 18 -4.311 0.141 10.800 1.00 0.00 C ATOM 236 C ARG A 18 -3.527 1.437 10.678 1.00 0.00 C ATOM 237 O ARG A 18 -3.877 2.415 11.342 1.00 0.00 O ATOM 238 CB ARG A 18 -3.603 -0.887 11.680 1.00 0.00 C ATOM 239 CG ARG A 18 -4.592 -1.950 12.168 1.00 0.00 C ATOM 240 CD ARG A 18 -3.845 -3.056 12.914 1.00 0.00 C ATOM 241 NE ARG A 18 -4.777 -4.074 13.416 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.246 -5.142 12.760 1.00 0.00 C ATOM 243 NH1 ARG A 18 -4.877 -5.409 11.508 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.074 -5.954 13.399 1.00 0.00 N ATOM 0 H ARG A 18 -3.899 -1.251 9.306 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.266 0.395 11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.798 -1.362 11.119 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.145 -0.389 12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.334 -1.495 12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.132 -2.372 11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.117 -3.521 12.249 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.288 -2.626 13.746 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.104 -3.953 14.374 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.222 -4.793 11.027 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.249 -6.230 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.338 -5.757 14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.448 -6.776 12.926 1.00 0.00 H new ATOM 258 N GLU A 19 -2.485 1.481 9.853 1.00 0.00 N ATOM 259 CA GLU A 19 -1.705 2.686 9.649 1.00 0.00 C ATOM 260 C GLU A 19 -2.552 3.823 9.053 1.00 0.00 C ATOM 261 O GLU A 19 -2.305 4.980 9.391 1.00 0.00 O ATOM 262 CB GLU A 19 -0.486 2.349 8.777 1.00 0.00 C ATOM 263 CG GLU A 19 0.825 2.244 9.564 1.00 0.00 C ATOM 264 CD GLU A 19 0.935 1.214 10.701 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.049 0.354 10.907 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.967 1.281 11.410 1.00 0.00 O ATOM 0 H GLU A 19 -2.162 0.680 9.310 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.355 3.055 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.668 1.405 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.378 3.114 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.621 2.031 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.032 3.226 9.989 1.00 0.00 H new ATOM 273 N LEU A 20 -3.565 3.518 8.232 1.00 0.00 N ATOM 274 CA LEU A 20 -4.252 4.482 7.367 1.00 0.00 C ATOM 275 C LEU A 20 -5.744 4.621 7.680 1.00 0.00 C ATOM 276 O LEU A 20 -6.480 5.171 6.858 1.00 0.00 O ATOM 277 CB LEU A 20 -4.042 4.093 5.890 1.00 0.00 C ATOM 278 CG LEU A 20 -2.581 4.137 5.425 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.494 3.650 3.980 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.025 5.556 5.500 1.00 0.00 C ATOM 0 H LEU A 20 -3.937 2.572 8.150 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.811 5.459 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.430 3.087 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.630 4.763 5.263 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.994 3.494 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.456 3.681 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.865 2.627 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.099 4.295 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.988 5.559 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.615 6.212 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.075 5.912 6.529 1.00 0.00 H new ATOM 292 N ALA A 21 -6.197 4.147 8.847 1.00 0.00 N ATOM 293 CA ALA A 21 -7.605 4.071 9.232 1.00 0.00 C ATOM 294 C ALA A 21 -8.379 5.350 8.872 1.00 0.00 C ATOM 295 O ALA A 21 -9.291 5.311 8.039 1.00 0.00 O ATOM 296 CB ALA A 21 -7.715 3.743 10.728 1.00 0.00 C ATOM 0 H ALA A 21 -5.570 3.795 9.571 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.070 3.268 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.766 3.687 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.234 2.785 10.927 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.223 4.523 11.309 1.00 0.00 H new ATOM 302 N GLU A 22 -8.006 6.488 9.469 1.00 0.00 N ATOM 303 CA GLU A 22 -8.654 7.782 9.250 1.00 0.00 C ATOM 304 C GLU A 22 -8.271 8.459 7.930 1.00 0.00 C ATOM 305 O GLU A 22 -8.970 9.386 7.507 1.00 0.00 O ATOM 306 CB GLU A 22 -8.339 8.745 10.409 1.00 0.00 C ATOM 307 CG GLU A 22 -9.331 8.599 11.573 1.00 0.00 C ATOM 308 CD GLU A 22 -9.629 9.960 12.209 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.413 10.732 11.608 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.058 10.250 13.286 1.00 0.00 O ATOM 0 H GLU A 22 -7.230 6.534 10.130 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.721 7.564 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.328 8.557 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.361 9.771 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.257 8.150 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.920 7.924 12.324 1.00 0.00 H new ATOM 317 N ASP A 23 -7.202 8.031 7.253 1.00 0.00 N ATOM 318 CA ASP A 23 -6.868 8.585 5.937 1.00 0.00 C ATOM 319 C ASP A 23 -7.851 8.113 4.881 1.00 0.00 C ATOM 320 O ASP A 23 -7.876 8.669 3.784 1.00 0.00 O ATOM 321 CB ASP A 23 -5.456 8.230 5.462 1.00 0.00 C ATOM 322 CG ASP A 23 -4.363 9.177 5.967 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.662 10.290 6.467 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.179 8.830 5.800 1.00 0.00 O ATOM 0 H ASP A 23 -6.560 7.312 7.588 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.923 9.666 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.220 7.217 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.442 8.227 4.372 1.00 0.00 H new ATOM 329 N GLY A 24 -8.681 7.119 5.198 1.00 0.00 N ATOM 330 CA GLY A 24 -9.641 6.641 4.233 1.00 0.00 C ATOM 331 C GLY A 24 -9.040 5.549 3.377 1.00 0.00 C ATOM 332 O GLY A 24 -9.159 5.596 2.150 1.00 0.00 O ATOM 0 H GLY A 24 -8.701 6.644 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.524 6.262 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.970 7.466 3.601 1.00 0.00 H new ATOM 336 N TYR A 25 -8.389 4.574 4.013 1.00 0.00 N ATOM 337 CA TYR A 25 -7.966 3.342 3.382 1.00 0.00 C ATOM 338 C TYR A 25 -9.173 2.612 2.758 1.00 0.00 C ATOM 339 O TYR A 25 -10.343 2.944 2.973 1.00 0.00 O ATOM 340 CB TYR A 25 -7.220 2.510 4.439 1.00 0.00 C ATOM 341 CG TYR A 25 -6.447 1.322 3.902 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.299 1.527 3.114 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.902 0.018 4.149 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.640 0.437 2.505 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.194 -1.081 3.638 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.066 -0.874 2.818 1.00 0.00 C ATOM 347 OH TYR A 25 -4.429 -1.947 2.288 1.00 0.00 O ATOM 0 H TYR A 25 -8.140 4.628 5.001 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.285 3.530 2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.527 3.164 4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.943 2.151 5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.918 2.528 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.797 -0.140 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.827 0.602 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.513 -2.086 3.873 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.468 -1.764 2.235 1.00 0.00 H new ATOM 357 N SER A 26 -8.875 1.630 1.919 1.00 0.00 N ATOM 358 CA SER A 26 -9.814 0.793 1.189 1.00 0.00 C ATOM 359 C SER A 26 -9.149 -0.528 0.810 1.00 0.00 C ATOM 360 O SER A 26 -9.807 -1.572 0.844 1.00 0.00 O ATOM 361 CB SER A 26 -10.281 1.534 -0.066 1.00 0.00 C ATOM 362 OG SER A 26 -11.427 2.312 0.229 1.00 0.00 O ATOM 0 H SER A 26 -7.907 1.381 1.718 1.00 0.00 H new ATOM 0 HA SER A 26 -10.677 0.577 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.482 2.175 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.510 0.819 -0.856 1.00 0.00 H new ATOM 0 HG SER A 26 -11.350 2.677 1.135 1.00 0.00 H new ATOM 368 N GLY A 27 -7.865 -0.505 0.455 1.00 0.00 N ATOM 369 CA GLY A 27 -7.102 -1.679 0.080 1.00 0.00 C ATOM 370 C GLY A 27 -5.753 -1.286 -0.494 1.00 0.00 C ATOM 371 O GLY A 27 -5.334 -0.128 -0.417 1.00 0.00 O ATOM 0 H GLY A 27 -7.319 0.356 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.959 -2.319 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.659 -2.261 -0.655 1.00 0.00 H new ATOM 375 N VAL A 28 -5.061 -2.255 -1.071 1.00 0.00 N ATOM 376 CA VAL A 28 -3.749 -2.082 -1.667 1.00 0.00 C ATOM 377 C VAL A 28 -3.687 -3.000 -2.887 1.00 0.00 C ATOM 378 O VAL A 28 -4.376 -4.022 -2.930 1.00 0.00 O ATOM 379 CB VAL A 28 -2.673 -2.379 -0.597 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.829 -3.755 0.087 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.241 -2.207 -1.108 1.00 0.00 C ATOM 0 H VAL A 28 -5.408 -3.212 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.562 -1.063 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.854 -1.617 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.037 -3.887 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.798 -3.807 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.763 -4.544 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.539 -2.431 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.068 -2.887 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.095 -1.180 -1.441 1.00 0.00 H new ATOM 391 N GLU A 29 -2.858 -2.661 -3.864 1.00 0.00 N ATOM 392 CA GLU A 29 -2.402 -3.508 -4.940 1.00 0.00 C ATOM 393 C GLU A 29 -0.893 -3.705 -4.849 1.00 0.00 C ATOM 394 O GLU A 29 -0.196 -2.938 -4.186 1.00 0.00 O ATOM 395 CB GLU A 29 -2.778 -2.862 -6.273 1.00 0.00 C ATOM 396 CG GLU A 29 -3.654 -3.796 -7.086 1.00 0.00 C ATOM 397 CD GLU A 29 -2.916 -5.039 -7.588 1.00 0.00 C ATOM 398 OE1 GLU A 29 -2.735 -5.978 -6.774 1.00 0.00 O ATOM 399 OE2 GLU A 29 -2.520 -5.076 -8.772 1.00 0.00 O ATOM 0 H GLU A 29 -2.464 -1.722 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.877 -4.486 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.304 -1.924 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.875 -2.620 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.503 -4.108 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.057 -3.252 -7.940 1.00 0.00 H new ATOM 406 N VAL A 30 -0.396 -4.724 -5.536 1.00 0.00 N ATOM 407 CA VAL A 30 1.005 -5.071 -5.601 1.00 0.00 C ATOM 408 C VAL A 30 1.312 -5.570 -7.013 1.00 0.00 C ATOM 409 O VAL A 30 0.529 -6.347 -7.563 1.00 0.00 O ATOM 410 CB VAL A 30 1.278 -6.097 -4.490 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.318 -7.306 -4.462 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.731 -6.575 -4.529 1.00 0.00 C ATOM 0 H VAL A 30 -0.986 -5.352 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 30 1.669 -4.224 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 30 1.088 -5.555 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.594 -7.971 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.704 -6.956 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.385 -7.846 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.897 -7.300 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.935 -7.042 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.398 -5.724 -4.390 1.00 0.00 H new ATOM 422 N ARG A 31 2.437 -5.168 -7.611 1.00 0.00 N ATOM 423 CA ARG A 31 2.877 -5.670 -8.918 1.00 0.00 C ATOM 424 C ARG A 31 4.312 -6.151 -8.743 1.00 0.00 C ATOM 425 O ARG A 31 5.142 -5.424 -8.197 1.00 0.00 O ATOM 426 CB ARG A 31 2.741 -4.601 -10.027 1.00 0.00 C ATOM 427 CG ARG A 31 1.304 -4.063 -10.187 1.00 0.00 C ATOM 428 CD ARG A 31 1.218 -2.733 -10.950 1.00 0.00 C ATOM 429 NE ARG A 31 1.256 -2.883 -12.414 1.00 0.00 N ATOM 430 CZ ARG A 31 1.280 -1.854 -13.272 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.263 -0.594 -12.850 1.00 0.00 N ATOM 432 NH2 ARG A 31 1.290 -2.063 -14.582 1.00 0.00 N ATOM 0 H ARG A 31 3.072 -4.482 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 31 2.242 -6.492 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.409 -3.770 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.069 -5.028 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.703 -4.809 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.863 -3.933 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.296 -2.224 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.043 -2.092 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 31 1.265 -3.828 -12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.231 -0.391 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.282 0.170 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.279 -3.016 -14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.308 -1.271 -15.225 1.00 0.00 H new ATOM 446 N VAL A 32 4.594 -7.388 -9.144 1.00 0.00 N ATOM 447 CA VAL A 32 5.910 -8.004 -9.011 1.00 0.00 C ATOM 448 C VAL A 32 6.530 -7.968 -10.397 1.00 0.00 C ATOM 449 O VAL A 32 6.286 -8.858 -11.215 1.00 0.00 O ATOM 450 CB VAL A 32 5.794 -9.418 -8.410 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.150 -10.129 -8.357 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.241 -9.331 -6.987 1.00 0.00 C ATOM 0 H VAL A 32 3.903 -8.000 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 32 6.556 -7.469 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 32 5.124 -9.989 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.023 -11.122 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.553 -10.219 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.840 -9.552 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.161 -10.333 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.912 -8.732 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.255 -8.866 -7.007 1.00 0.00 H new ATOM 462 N THR A 33 7.274 -6.902 -10.674 1.00 0.00 N ATOM 463 CA THR A 33 7.921 -6.712 -11.962 1.00 0.00 C ATOM 464 C THR A 33 9.326 -7.332 -11.919 1.00 0.00 C ATOM 465 O THR A 33 9.837 -7.602 -10.830 1.00 0.00 O ATOM 466 CB THR A 33 7.954 -5.210 -12.305 1.00 0.00 C ATOM 467 OG1 THR A 33 8.951 -4.529 -11.571 1.00 0.00 O ATOM 468 CG2 THR A 33 6.600 -4.538 -12.110 1.00 0.00 C ATOM 0 H THR A 33 7.444 -6.147 -10.010 1.00 0.00 H new ATOM 0 HA THR A 33 7.361 -7.214 -12.751 1.00 0.00 H new ATOM 0 HB THR A 33 8.203 -5.147 -13.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.639 -4.382 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.678 -3.481 -12.365 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.861 -5.014 -12.755 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.291 -4.638 -11.070 1.00 0.00 H new ATOM 476 N PRO A 34 10.031 -7.463 -13.055 1.00 0.00 N ATOM 477 CA PRO A 34 11.445 -7.833 -13.072 1.00 0.00 C ATOM 478 C PRO A 34 12.371 -6.689 -12.610 1.00 0.00 C ATOM 479 O PRO A 34 13.595 -6.833 -12.695 1.00 0.00 O ATOM 480 CB PRO A 34 11.731 -8.261 -14.516 1.00 0.00 C ATOM 481 CG PRO A 34 10.685 -7.520 -15.350 1.00 0.00 C ATOM 482 CD PRO A 34 9.510 -7.305 -14.404 1.00 0.00 C ATOM 0 HA PRO A 34 11.648 -8.636 -12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.743 -7.990 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.641 -9.341 -14.635 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.074 -6.571 -15.719 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.389 -8.104 -16.222 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.079 -6.313 -14.540 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.717 -8.026 -14.600 1.00 0.00 H new ATOM 490 N THR A 35 11.831 -5.542 -12.173 1.00 0.00 N ATOM 491 CA THR A 35 12.604 -4.337 -11.862 1.00 0.00 C ATOM 492 C THR A 35 12.552 -4.026 -10.366 1.00 0.00 C ATOM 493 O THR A 35 13.595 -3.899 -9.723 1.00 0.00 O ATOM 494 CB THR A 35 12.156 -3.153 -12.750 1.00 0.00 C ATOM 495 OG1 THR A 35 10.787 -2.789 -12.600 1.00 0.00 O ATOM 496 CG2 THR A 35 12.373 -3.463 -14.233 1.00 0.00 C ATOM 0 H THR A 35 10.829 -5.427 -12.024 1.00 0.00 H new ATOM 0 HA THR A 35 13.653 -4.518 -12.098 1.00 0.00 H new ATOM 0 HB THR A 35 12.774 -2.321 -12.412 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.292 -3.536 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.049 -2.613 -14.834 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.431 -3.653 -14.414 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.794 -4.344 -14.509 1.00 0.00 H new ATOM 504 N ARG A 36 11.345 -3.906 -9.811 1.00 0.00 N ATOM 505 CA ARG A 36 11.082 -3.636 -8.407 1.00 0.00 C ATOM 506 C ARG A 36 9.692 -4.165 -8.061 1.00 0.00 C ATOM 507 O ARG A 36 8.842 -4.289 -8.954 1.00 0.00 O ATOM 508 CB ARG A 36 11.236 -2.125 -8.127 1.00 0.00 C ATOM 509 CG ARG A 36 10.410 -1.167 -9.000 1.00 0.00 C ATOM 510 CD ARG A 36 10.716 0.297 -8.642 1.00 0.00 C ATOM 511 NE ARG A 36 12.087 0.727 -8.968 1.00 0.00 N ATOM 512 CZ ARG A 36 12.495 1.288 -10.114 1.00 0.00 C ATOM 513 NH1 ARG A 36 11.748 1.263 -11.213 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.685 1.870 -10.189 1.00 0.00 N ATOM 0 H ARG A 36 10.489 -4.000 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 36 11.803 -4.147 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.974 -1.945 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.288 -1.865 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.633 -1.343 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.347 -1.366 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.011 0.942 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.547 0.441 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 36 12.796 0.583 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.836 0.807 -11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.087 1.699 -12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.294 1.892 -9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.990 2.296 -11.064 1.00 0.00 H new ATOM 528 N THR A 37 9.430 -4.432 -6.785 1.00 0.00 N ATOM 529 CA THR A 37 8.062 -4.554 -6.317 1.00 0.00 C ATOM 530 C THR A 37 7.445 -3.157 -6.406 1.00 0.00 C ATOM 531 O THR A 37 8.079 -2.172 -6.028 1.00 0.00 O ATOM 532 CB THR A 37 8.022 -5.091 -4.876 1.00 0.00 C ATOM 533 OG1 THR A 37 8.760 -6.293 -4.748 1.00 0.00 O ATOM 534 CG2 THR A 37 6.582 -5.400 -4.451 1.00 0.00 C ATOM 0 H THR A 37 10.142 -4.566 -6.067 1.00 0.00 H new ATOM 0 HA THR A 37 7.500 -5.263 -6.925 1.00 0.00 H new ATOM 0 HB THR A 37 8.456 -4.315 -4.246 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.278 -6.911 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.578 -5.778 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.984 -4.490 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.159 -6.151 -5.118 1.00 0.00 H new ATOM 542 N GLU A 38 6.194 -3.073 -6.843 1.00 0.00 N ATOM 543 CA GLU A 38 5.381 -1.873 -6.749 1.00 0.00 C ATOM 544 C GLU A 38 4.300 -2.175 -5.714 1.00 0.00 C ATOM 545 O GLU A 38 3.750 -3.280 -5.712 1.00 0.00 O ATOM 546 CB GLU A 38 4.690 -1.596 -8.090 1.00 0.00 C ATOM 547 CG GLU A 38 5.610 -1.369 -9.301 1.00 0.00 C ATOM 548 CD GLU A 38 4.774 -1.133 -10.567 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.052 -0.112 -10.612 1.00 0.00 O ATOM 550 OE2 GLU A 38 4.793 -1.969 -11.499 1.00 0.00 O ATOM 0 H GLU A 38 5.709 -3.856 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 38 5.993 -1.011 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.031 -2.435 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.057 -0.716 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.257 -0.511 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.259 -2.234 -9.441 1.00 0.00 H new ATOM 557 N ILE A 39 3.971 -1.207 -4.860 1.00 0.00 N ATOM 558 CA ILE A 39 2.905 -1.291 -3.869 1.00 0.00 C ATOM 559 C ILE A 39 2.017 -0.070 -4.086 1.00 0.00 C ATOM 560 O ILE A 39 2.508 1.053 -4.057 1.00 0.00 O ATOM 561 CB ILE A 39 3.512 -1.327 -2.449 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.304 -2.636 -2.221 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.396 -1.153 -1.405 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.136 -2.642 -0.934 1.00 0.00 C ATOM 0 H ILE A 39 4.459 -0.311 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 39 2.314 -2.201 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 39 4.217 -0.502 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.605 -3.472 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.966 -2.801 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.827 -1.179 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.898 -0.196 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.671 -1.961 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.662 -3.593 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.860 -1.828 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.478 -2.509 -0.075 1.00 0.00 H new ATOM 576 N ILE A 40 0.717 -0.261 -4.298 1.00 0.00 N ATOM 577 CA ILE A 40 -0.207 0.796 -4.675 1.00 0.00 C ATOM 578 C ILE A 40 -1.338 0.821 -3.644 1.00 0.00 C ATOM 579 O ILE A 40 -2.314 0.082 -3.759 1.00 0.00 O ATOM 580 CB ILE A 40 -0.692 0.622 -6.138 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.428 0.505 -7.204 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.529 1.861 -6.493 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.048 -0.889 -7.365 1.00 0.00 C ATOM 0 H ILE A 40 0.272 -1.174 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 40 0.285 1.769 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.240 -0.320 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.022 0.816 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.221 1.208 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.889 1.775 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.379 1.932 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.913 2.755 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.819 -0.858 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.492 -1.201 -6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.274 -1.600 -7.655 1.00 0.00 H new ATOM 595 N ILE A 41 -1.205 1.652 -2.612 1.00 0.00 N ATOM 596 CA ILE A 41 -2.241 1.895 -1.610 1.00 0.00 C ATOM 597 C ILE A 41 -3.433 2.547 -2.319 1.00 0.00 C ATOM 598 O ILE A 41 -3.298 3.603 -2.937 1.00 0.00 O ATOM 599 CB ILE A 41 -1.646 2.774 -0.499 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.612 1.971 0.323 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.747 3.293 0.433 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.576 2.801 0.802 1.00 0.00 C ATOM 0 H ILE A 41 -0.353 2.188 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.593 0.976 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.153 3.625 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.110 1.535 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.244 1.144 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.302 3.913 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.459 3.886 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.263 2.449 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.257 2.168 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.101 3.216 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.220 3.613 1.436 1.00 0.00 H new ATOM 614 N LEU A 42 -4.601 1.917 -2.227 1.00 0.00 N ATOM 615 CA LEU A 42 -5.811 2.302 -2.949 1.00 0.00 C ATOM 616 C LEU A 42 -6.704 3.122 -2.037 1.00 0.00 C ATOM 617 O LEU A 42 -7.657 2.569 -1.503 1.00 0.00 O ATOM 618 CB LEU A 42 -6.602 1.049 -3.356 1.00 0.00 C ATOM 619 CG LEU A 42 -5.913 0.104 -4.345 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.899 -1.006 -4.702 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.422 0.840 -5.590 1.00 0.00 C ATOM 0 H LEU A 42 -4.736 1.101 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.519 2.873 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.839 0.486 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.549 1.368 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.024 -0.323 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.432 -1.694 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.181 -1.547 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.789 -0.570 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.940 0.132 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.269 1.304 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.707 1.609 -5.299 1.00 0.00 H new ATOM 633 N ALA A 43 -6.383 4.365 -1.728 1.00 0.00 N ATOM 634 CA ALA A 43 -7.076 5.099 -0.655 1.00 0.00 C ATOM 635 C ALA A 43 -7.994 6.178 -1.223 1.00 0.00 C ATOM 636 O ALA A 43 -7.856 6.613 -2.364 1.00 0.00 O ATOM 637 CB ALA A 43 -6.064 5.640 0.362 1.00 0.00 C ATOM 0 H ALA A 43 -5.650 4.897 -2.197 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.726 4.409 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.592 6.180 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.510 4.810 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.370 6.315 -0.139 1.00 0.00 H new ATOM 643 N THR A 44 -8.960 6.638 -0.434 1.00 0.00 N ATOM 644 CA THR A 44 -9.885 7.673 -0.872 1.00 0.00 C ATOM 645 C THR A 44 -9.202 9.040 -0.950 1.00 0.00 C ATOM 646 O THR A 44 -9.644 9.897 -1.721 1.00 0.00 O ATOM 647 CB THR A 44 -11.110 7.692 0.052 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.731 7.731 1.399 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.008 6.469 -0.120 1.00 0.00 C ATOM 0 H THR A 44 -9.121 6.307 0.517 1.00 0.00 H new ATOM 0 HA THR A 44 -10.221 7.442 -1.883 1.00 0.00 H new ATOM 0 HB THR A 44 -11.660 8.590 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.302 6.884 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.856 6.542 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.370 6.425 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.440 5.566 0.104 1.00 0.00 H new ATOM 657 N ARG A 45 -8.129 9.251 -0.182 1.00 0.00 N ATOM 658 CA ARG A 45 -7.527 10.554 0.054 1.00 0.00 C ATOM 659 C ARG A 45 -6.020 10.443 -0.157 1.00 0.00 C ATOM 660 O ARG A 45 -5.257 10.468 0.806 1.00 0.00 O ATOM 661 CB ARG A 45 -7.887 11.037 1.479 1.00 0.00 C ATOM 662 CG ARG A 45 -9.376 10.970 1.864 1.00 0.00 C ATOM 663 CD ARG A 45 -10.216 11.969 1.066 1.00 0.00 C ATOM 664 NE ARG A 45 -10.428 13.213 1.822 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.567 13.555 2.439 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.612 12.728 2.446 1.00 0.00 N ATOM 667 NH2 ARG A 45 -11.670 14.728 3.054 1.00 0.00 N ATOM 0 H ARG A 45 -7.646 8.495 0.303 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.912 11.295 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.321 10.442 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.552 12.069 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.751 9.961 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.485 11.173 2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.718 12.194 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.179 11.522 0.819 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.647 13.866 1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.550 11.824 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.474 12.999 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.880 15.373 3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.539 14.984 3.522 1.00 0.00 H new ATOM 681 N THR A 46 -5.565 10.305 -1.400 1.00 0.00 N ATOM 682 CA THR A 46 -4.153 10.076 -1.697 1.00 0.00 C ATOM 683 C THR A 46 -3.260 11.183 -1.114 1.00 0.00 C ATOM 684 O THR A 46 -2.229 10.882 -0.518 1.00 0.00 O ATOM 685 CB THR A 46 -3.968 9.900 -3.209 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.551 10.956 -3.927 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.643 8.628 -3.710 1.00 0.00 C ATOM 0 H THR A 46 -6.161 10.348 -2.226 1.00 0.00 H new ATOM 0 HA THR A 46 -3.833 9.155 -1.209 1.00 0.00 H new ATOM 0 HB THR A 46 -2.891 9.864 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.414 10.814 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.492 8.535 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.210 7.764 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.711 8.674 -3.496 1.00 0.00 H new ATOM 695 N GLN A 47 -3.693 12.448 -1.187 1.00 0.00 N ATOM 696 CA GLN A 47 -3.025 13.596 -0.574 1.00 0.00 C ATOM 697 C GLN A 47 -2.761 13.395 0.922 1.00 0.00 C ATOM 698 O GLN A 47 -1.727 13.828 1.434 1.00 0.00 O ATOM 699 CB GLN A 47 -3.908 14.840 -0.810 1.00 0.00 C ATOM 700 CG GLN A 47 -3.439 16.136 -0.131 1.00 0.00 C ATOM 701 CD GLN A 47 -2.180 16.757 -0.734 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.540 16.210 -1.624 1.00 0.00 O ATOM 703 NE2 GLN A 47 -1.789 17.935 -0.273 1.00 0.00 N ATOM 0 H GLN A 47 -4.543 12.705 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.046 13.722 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.972 15.018 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.917 14.616 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.246 16.867 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.256 15.931 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.319 18.394 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.958 18.383 -0.659 1.00 0.00 H new ATOM 712 N ASN A 48 -3.712 12.789 1.633 1.00 0.00 N ATOM 713 CA ASN A 48 -3.598 12.518 3.062 1.00 0.00 C ATOM 714 C ASN A 48 -2.555 11.434 3.300 1.00 0.00 C ATOM 715 O ASN A 48 -1.706 11.580 4.178 1.00 0.00 O ATOM 716 CB ASN A 48 -4.958 12.076 3.619 1.00 0.00 C ATOM 717 CG ASN A 48 -5.541 13.112 4.557 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.980 14.167 4.102 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.589 12.841 5.843 1.00 0.00 N ATOM 0 H ASN A 48 -4.592 12.470 1.227 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.286 13.427 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.650 11.901 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.845 11.129 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.998 13.514 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.217 11.958 6.192 1.00 0.00 H new ATOM 726 N VAL A 49 -2.611 10.365 2.503 1.00 0.00 N ATOM 727 CA VAL A 49 -1.722 9.216 2.637 1.00 0.00 C ATOM 728 C VAL A 49 -0.280 9.655 2.354 1.00 0.00 C ATOM 729 O VAL A 49 0.628 9.263 3.083 1.00 0.00 O ATOM 730 CB VAL A 49 -2.215 8.061 1.739 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.354 6.795 1.846 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.637 7.633 2.141 1.00 0.00 C ATOM 0 H VAL A 49 -3.282 10.275 1.740 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.736 8.829 3.656 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.166 8.456 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.757 6.024 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.330 7.025 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.362 6.435 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.967 6.818 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.637 7.298 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.316 8.479 2.033 1.00 0.00 H new ATOM 742 N LEU A 50 -0.050 10.523 1.365 1.00 0.00 N ATOM 743 CA LEU A 50 1.295 10.999 1.047 1.00 0.00 C ATOM 744 C LEU A 50 1.886 11.789 2.207 1.00 0.00 C ATOM 745 O LEU A 50 3.083 11.682 2.479 1.00 0.00 O ATOM 746 CB LEU A 50 1.272 11.869 -0.223 1.00 0.00 C ATOM 747 CG LEU A 50 1.046 11.048 -1.504 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.612 11.959 -2.652 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.312 10.283 -1.913 1.00 0.00 C ATOM 0 H LEU A 50 -0.782 10.910 0.770 1.00 0.00 H new ATOM 0 HA LEU A 50 1.924 10.127 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.483 12.616 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.215 12.409 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 50 0.258 10.325 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.456 11.363 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.317 12.463 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.387 12.702 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.116 9.714 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.121 10.990 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.599 9.601 -1.113 1.00 0.00 H new ATOM 761 N GLY A 51 1.071 12.601 2.882 1.00 0.00 N ATOM 762 CA GLY A 51 1.565 13.618 3.792 1.00 0.00 C ATOM 763 C GLY A 51 2.156 14.796 3.012 1.00 0.00 C ATOM 764 O GLY A 51 2.325 14.747 1.788 1.00 0.00 O ATOM 0 H GLY A 51 0.054 12.567 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.754 13.968 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.324 13.190 4.447 1.00 0.00 H new ATOM 768 N GLU A 52 2.510 15.863 3.725 1.00 0.00 N ATOM 769 CA GLU A 52 3.235 16.997 3.168 1.00 0.00 C ATOM 770 C GLU A 52 4.524 16.507 2.499 1.00 0.00 C ATOM 771 O GLU A 52 5.314 15.809 3.131 1.00 0.00 O ATOM 772 CB GLU A 52 3.508 18.017 4.283 1.00 0.00 C ATOM 773 CG GLU A 52 4.538 19.068 3.849 1.00 0.00 C ATOM 774 CD GLU A 52 4.330 20.404 4.546 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.313 21.072 4.276 1.00 0.00 O ATOM 776 OE2 GLU A 52 5.242 20.836 5.289 1.00 0.00 O ATOM 0 H GLU A 52 2.298 15.963 4.718 1.00 0.00 H new ATOM 0 HA GLU A 52 2.640 17.492 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.577 18.512 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.869 17.498 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.541 18.701 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.476 19.210 2.770 1.00 0.00 H new ATOM 783 N LYS A 53 4.730 16.867 1.224 1.00 0.00 N ATOM 784 CA LYS A 53 5.866 16.466 0.381 1.00 0.00 C ATOM 785 C LYS A 53 6.280 15.003 0.569 1.00 0.00 C ATOM 786 O LYS A 53 7.463 14.667 0.615 1.00 0.00 O ATOM 787 CB LYS A 53 7.019 17.485 0.405 1.00 0.00 C ATOM 788 CG LYS A 53 7.583 17.754 1.796 1.00 0.00 C ATOM 789 CD LYS A 53 8.620 18.879 1.752 1.00 0.00 C ATOM 790 CE LYS A 53 9.104 19.247 3.157 1.00 0.00 C ATOM 791 NZ LYS A 53 10.094 20.345 3.111 1.00 0.00 N ATOM 0 H LYS A 53 4.078 17.475 0.729 1.00 0.00 H new ATOM 0 HA LYS A 53 5.509 16.495 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.822 17.124 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.668 18.425 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.775 18.024 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.040 16.846 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.469 18.570 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.187 19.757 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.254 19.546 3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.549 18.373 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.404 20.573 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.914 20.049 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.660 21.186 2.679 1.00 0.00 H new ATOM 805 N GLY A 54 5.299 14.108 0.660 1.00 0.00 N ATOM 806 CA GLY A 54 5.567 12.685 0.729 1.00 0.00 C ATOM 807 C GLY A 54 6.075 12.231 2.100 1.00 0.00 C ATOM 808 O GLY A 54 6.701 11.173 2.198 1.00 0.00 O ATOM 0 H GLY A 54 4.309 14.351 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.655 12.138 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.305 12.424 -0.029 1.00 0.00 H new ATOM 812 N ARG A 55 5.825 13.008 3.162 1.00 0.00 N ATOM 813 CA ARG A 55 6.133 12.670 4.549 1.00 0.00 C ATOM 814 C ARG A 55 5.740 11.240 4.879 1.00 0.00 C ATOM 815 O ARG A 55 6.610 10.431 5.205 1.00 0.00 O ATOM 816 CB ARG A 55 5.418 13.652 5.507 1.00 0.00 C ATOM 817 CG ARG A 55 6.320 14.780 6.009 1.00 0.00 C ATOM 818 CD ARG A 55 7.278 14.241 7.079 1.00 0.00 C ATOM 819 NE ARG A 55 8.127 15.305 7.628 1.00 0.00 N ATOM 820 CZ ARG A 55 9.186 15.847 7.021 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.612 15.357 5.861 1.00 0.00 N ATOM 822 NH2 ARG A 55 9.807 16.883 7.567 1.00 0.00 N ATOM 0 H ARG A 55 5.386 13.924 3.070 1.00 0.00 H new ATOM 0 HA ARG A 55 7.212 12.757 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.559 14.085 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.033 13.097 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.887 15.201 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.714 15.586 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.704 13.781 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.905 13.461 6.647 1.00 0.00 H new ATOM 0 HE ARG A 55 7.887 15.661 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.130 14.566 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.421 15.772 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.476 17.267 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.616 17.296 7.102 1.00 0.00 H new ATOM 836 N ARG A 56 4.438 10.946 4.888 1.00 0.00 N ATOM 837 CA ARG A 56 3.990 9.672 5.422 1.00 0.00 C ATOM 838 C ARG A 56 4.363 8.530 4.476 1.00 0.00 C ATOM 839 O ARG A 56 4.742 7.480 4.979 1.00 0.00 O ATOM 840 CB ARG A 56 2.503 9.719 5.825 1.00 0.00 C ATOM 841 CG ARG A 56 2.278 9.169 7.241 1.00 0.00 C ATOM 842 CD ARG A 56 2.746 10.122 8.348 1.00 0.00 C ATOM 843 NE ARG A 56 3.112 9.380 9.560 1.00 0.00 N ATOM 844 CZ ARG A 56 2.399 9.172 10.674 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.158 9.625 10.825 1.00 0.00 N ATOM 846 NH2 ARG A 56 2.972 8.501 11.663 1.00 0.00 N ATOM 0 H ARG A 56 3.699 11.557 4.541 1.00 0.00 H new ATOM 0 HA ARG A 56 4.519 9.465 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.145 10.747 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.915 9.140 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.217 8.960 7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.805 8.220 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.602 10.699 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.954 10.834 8.579 1.00 0.00 H new ATOM 0 HE ARG A 56 4.043 8.963 9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.713 10.154 10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.651 9.443 11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.928 8.161 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.457 8.325 12.526 1.00 0.00 H new ATOM 860 N ILE A 57 4.388 8.734 3.152 1.00 0.00 N ATOM 861 CA ILE A 57 4.842 7.684 2.231 1.00 0.00 C ATOM 862 C ILE A 57 6.309 7.300 2.487 1.00 0.00 C ATOM 863 O ILE A 57 6.635 6.114 2.450 1.00 0.00 O ATOM 864 CB ILE A 57 4.536 8.015 0.761 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.976 6.863 -0.166 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.114 9.351 0.302 1.00 0.00 C ATOM 867 CD1 ILE A 57 4.175 6.849 -1.469 1.00 0.00 C ATOM 0 H ILE A 57 4.104 9.603 2.700 1.00 0.00 H new ATOM 0 HA ILE A 57 4.256 6.790 2.444 1.00 0.00 H new ATOM 0 HB ILE A 57 3.454 8.124 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.038 6.963 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.848 5.911 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.859 9.518 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.699 10.155 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.198 9.336 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.514 6.024 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.116 6.723 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.324 7.791 -1.998 1.00 0.00 H new ATOM 879 N ARG A 58 7.217 8.254 2.755 1.00 0.00 N ATOM 880 CA ARG A 58 8.609 7.921 3.066 1.00 0.00 C ATOM 881 C ARG A 58 8.694 7.129 4.364 1.00 0.00 C ATOM 882 O ARG A 58 9.384 6.115 4.433 1.00 0.00 O ATOM 883 CB ARG A 58 9.466 9.198 3.145 1.00 0.00 C ATOM 884 CG ARG A 58 10.852 8.898 2.567 1.00 0.00 C ATOM 885 CD ARG A 58 11.741 10.142 2.523 1.00 0.00 C ATOM 886 NE ARG A 58 12.977 9.926 1.747 1.00 0.00 N ATOM 887 CZ ARG A 58 13.909 10.868 1.539 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.808 12.058 2.129 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.952 10.647 0.749 1.00 0.00 N ATOM 0 H ARG A 58 7.010 9.253 2.762 1.00 0.00 H new ATOM 0 HA ARG A 58 9.002 7.298 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.992 10.006 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.552 9.531 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.336 8.129 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.744 8.495 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.181 10.969 2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.001 10.435 3.540 1.00 0.00 H new ATOM 0 HE ARG A 58 13.133 9.002 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.018 12.257 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.520 12.770 1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.058 9.745 0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.648 11.379 0.606 1.00 0.00 H new ATOM 903 N GLU A 59 7.970 7.580 5.387 1.00 0.00 N ATOM 904 CA GLU A 59 7.888 6.890 6.665 1.00 0.00 C ATOM 905 C GLU A 59 7.379 5.455 6.470 1.00 0.00 C ATOM 906 O GLU A 59 7.990 4.519 6.990 1.00 0.00 O ATOM 907 CB GLU A 59 6.997 7.685 7.634 1.00 0.00 C ATOM 908 CG GLU A 59 7.806 8.387 8.734 1.00 0.00 C ATOM 909 CD GLU A 59 8.464 7.394 9.693 1.00 0.00 C ATOM 910 OE1 GLU A 59 9.589 6.940 9.399 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.847 7.032 10.721 1.00 0.00 O ATOM 0 H GLU A 59 7.422 8.440 5.348 1.00 0.00 H new ATOM 0 HA GLU A 59 8.884 6.824 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.430 8.428 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.274 7.011 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.574 9.010 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.150 9.052 9.296 1.00 0.00 H new ATOM 918 N LEU A 60 6.291 5.269 5.708 1.00 0.00 N ATOM 919 CA LEU A 60 5.734 3.960 5.386 1.00 0.00 C ATOM 920 C LEU A 60 6.708 3.125 4.558 1.00 0.00 C ATOM 921 O LEU A 60 6.782 1.926 4.795 1.00 0.00 O ATOM 922 CB LEU A 60 4.367 4.032 4.691 1.00 0.00 C ATOM 923 CG LEU A 60 3.178 4.364 5.621 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.882 3.990 4.899 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.175 3.620 6.969 1.00 0.00 C ATOM 0 H LEU A 60 5.769 6.042 5.294 1.00 0.00 H new ATOM 0 HA LEU A 60 5.574 3.468 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.415 4.785 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.173 3.076 4.205 1.00 0.00 H new ATOM 0 HG LEU A 60 3.268 5.427 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.030 4.217 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.803 4.561 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.889 2.925 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.302 3.921 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.140 2.545 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.081 3.867 7.523 1.00 0.00 H new ATOM 937 N THR A 61 7.487 3.705 3.644 1.00 0.00 N ATOM 938 CA THR A 61 8.469 2.944 2.875 1.00 0.00 C ATOM 939 C THR A 61 9.470 2.295 3.832 1.00 0.00 C ATOM 940 O THR A 61 9.704 1.093 3.724 1.00 0.00 O ATOM 941 CB THR A 61 9.166 3.823 1.821 1.00 0.00 C ATOM 942 OG1 THR A 61 8.192 4.413 0.977 1.00 0.00 O ATOM 943 CG2 THR A 61 10.123 2.995 0.947 1.00 0.00 C ATOM 0 H THR A 61 7.456 4.699 3.419 1.00 0.00 H new ATOM 0 HA THR A 61 7.955 2.156 2.324 1.00 0.00 H new ATOM 0 HB THR A 61 9.737 4.587 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.672 5.069 1.486 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.599 3.645 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.886 2.537 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.562 2.215 0.432 1.00 0.00 H new ATOM 951 N ALA A 62 10.033 3.049 4.778 1.00 0.00 N ATOM 952 CA ALA A 62 11.030 2.540 5.713 1.00 0.00 C ATOM 953 C ALA A 62 10.457 1.463 6.638 1.00 0.00 C ATOM 954 O ALA A 62 11.088 0.418 6.823 1.00 0.00 O ATOM 955 CB ALA A 62 11.560 3.717 6.533 1.00 0.00 C ATOM 0 H ALA A 62 9.807 4.034 4.915 1.00 0.00 H new ATOM 0 HA ALA A 62 11.835 2.070 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.308 3.360 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.012 4.451 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.738 4.180 7.078 1.00 0.00 H new ATOM 961 N VAL A 63 9.285 1.695 7.234 1.00 0.00 N ATOM 962 CA VAL A 63 8.642 0.682 8.073 1.00 0.00 C ATOM 963 C VAL A 63 8.353 -0.567 7.236 1.00 0.00 C ATOM 964 O VAL A 63 8.747 -1.639 7.665 1.00 0.00 O ATOM 965 CB VAL A 63 7.413 1.241 8.822 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.369 1.761 7.869 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.688 0.250 9.719 1.00 0.00 C ATOM 0 H VAL A 63 8.765 2.569 7.152 1.00 0.00 H new ATOM 0 HA VAL A 63 9.325 0.384 8.868 1.00 0.00 H new ATOM 0 HB VAL A 63 7.851 2.024 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.520 2.146 8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.795 2.561 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.035 0.953 7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.842 0.744 10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.329 -0.587 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.373 -0.118 10.483 1.00 0.00 H new ATOM 977 N VAL A 64 7.751 -0.467 6.045 1.00 0.00 N ATOM 978 CA VAL A 64 7.441 -1.610 5.180 1.00 0.00 C ATOM 979 C VAL A 64 8.727 -2.361 4.846 1.00 0.00 C ATOM 980 O VAL A 64 8.760 -3.589 4.946 1.00 0.00 O ATOM 981 CB VAL A 64 6.666 -1.117 3.937 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.580 -2.131 2.786 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.233 -0.721 4.340 1.00 0.00 C ATOM 0 H VAL A 64 7.461 0.427 5.649 1.00 0.00 H new ATOM 0 HA VAL A 64 6.792 -2.322 5.689 1.00 0.00 H new ATOM 0 HB VAL A 64 7.237 -0.267 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.018 -1.696 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.585 -2.384 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.075 -3.033 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.690 -0.374 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.722 -1.586 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.271 0.077 5.081 1.00 0.00 H new ATOM 993 N GLN A 65 9.809 -1.638 4.559 1.00 0.00 N ATOM 994 CA GLN A 65 11.107 -2.227 4.298 1.00 0.00 C ATOM 995 C GLN A 65 11.570 -3.128 5.452 1.00 0.00 C ATOM 996 O GLN A 65 12.208 -4.150 5.200 1.00 0.00 O ATOM 997 CB GLN A 65 12.121 -1.120 3.951 1.00 0.00 C ATOM 998 CG GLN A 65 12.493 -1.050 2.462 1.00 0.00 C ATOM 999 CD GLN A 65 13.964 -0.663 2.327 1.00 0.00 C ATOM 1000 OE1 GLN A 65 14.302 0.516 2.290 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.880 -1.625 2.350 1.00 0.00 N ATOM 0 H GLN A 65 9.802 -0.620 4.502 1.00 0.00 H new ATOM 0 HA GLN A 65 11.029 -2.886 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.710 -0.158 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.029 -1.279 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.313 -2.013 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.865 -0.320 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.592 -2.603 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.871 -1.386 2.337 1.00 0.00 H new ATOM 1010 N LYS A 66 11.209 -2.801 6.696 1.00 0.00 N ATOM 1011 CA LYS A 66 11.554 -3.508 7.915 1.00 0.00 C ATOM 1012 C LYS A 66 10.447 -4.477 8.379 1.00 0.00 C ATOM 1013 O LYS A 66 10.698 -5.381 9.174 1.00 0.00 O ATOM 1014 CB LYS A 66 11.816 -2.369 8.912 1.00 0.00 C ATOM 1015 CG LYS A 66 12.062 -2.868 10.316 1.00 0.00 C ATOM 1016 CD LYS A 66 12.505 -1.758 11.276 1.00 0.00 C ATOM 1017 CE LYS A 66 11.351 -1.289 12.170 1.00 0.00 C ATOM 1018 NZ LYS A 66 11.840 -0.524 13.335 1.00 0.00 N ATOM 0 H LYS A 66 10.631 -1.981 6.881 1.00 0.00 H new ATOM 0 HA LYS A 66 12.414 -4.166 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.679 -1.792 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.962 -1.692 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.150 -3.328 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.825 -3.646 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.324 -2.120 11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.889 -0.913 10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.668 -0.670 11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.783 -2.153 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.032 -0.223 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.472 -1.123 13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.361 0.314 13.006 1.00 0.00 H new ATOM 1032 N ARG A 67 9.208 -4.309 7.923 1.00 0.00 N ATOM 1033 CA ARG A 67 8.071 -5.163 8.266 1.00 0.00 C ATOM 1034 C ARG A 67 8.003 -6.363 7.314 1.00 0.00 C ATOM 1035 O ARG A 67 7.349 -7.357 7.631 1.00 0.00 O ATOM 1036 CB ARG A 67 6.785 -4.315 8.200 1.00 0.00 C ATOM 1037 CG ARG A 67 5.710 -4.580 9.263 1.00 0.00 C ATOM 1038 CD ARG A 67 5.042 -5.951 9.152 1.00 0.00 C ATOM 1039 NE ARG A 67 5.821 -6.955 9.885 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.704 -7.236 11.182 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.573 -6.964 11.822 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.754 -7.721 11.831 1.00 0.00 N ATOM 0 H ARG A 67 8.959 -3.553 7.286 1.00 0.00 H new ATOM 0 HA ARG A 67 8.185 -5.558 9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.070 -3.265 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.333 -4.464 7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.161 -4.487 10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.944 -3.808 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.029 -5.903 9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.958 -6.239 8.104 1.00 0.00 H new ATOM 0 HE ARG A 67 6.513 -7.485 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.793 -6.540 11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.484 -7.180 12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.633 -7.873 11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.682 -7.942 12.824 1.00 0.00 H new ATOM 1056 N PHE A 68 8.631 -6.259 6.143 1.00 0.00 N ATOM 1057 CA PHE A 68 8.555 -7.243 5.072 1.00 0.00 C ATOM 1058 C PHE A 68 9.942 -7.643 4.559 1.00 0.00 C ATOM 1059 O PHE A 68 10.022 -8.461 3.641 1.00 0.00 O ATOM 1060 CB PHE A 68 7.647 -6.675 3.966 1.00 0.00 C ATOM 1061 CG PHE A 68 6.204 -6.535 4.394 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.344 -7.637 4.286 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.719 -5.326 4.916 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.008 -7.541 4.698 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.396 -5.243 5.385 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.541 -6.354 5.290 1.00 0.00 C ATOM 0 H PHE A 68 9.224 -5.462 5.910 1.00 0.00 H new ATOM 0 HA PHE A 68 8.120 -8.169 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.025 -5.699 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.699 -7.325 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.714 -8.568 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.362 -4.459 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.338 -8.377 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.036 -4.322 5.820 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.531 -6.297 5.669 1.00 0.00 H new ATOM 1076 N GLY A 69 11.034 -7.110 5.122 1.00 0.00 N ATOM 1077 CA GLY A 69 12.403 -7.458 4.742 1.00 0.00 C ATOM 1078 C GLY A 69 12.824 -6.942 3.369 1.00 0.00 C ATOM 1079 O GLY A 69 13.879 -7.347 2.876 1.00 0.00 O ATOM 0 H GLY A 69 10.987 -6.414 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.088 -7.062 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.507 -8.543 4.757 1.00 0.00 H new ATOM 1083 N PHE A 70 12.015 -6.075 2.751 1.00 0.00 N ATOM 1084 CA PHE A 70 12.223 -5.634 1.383 1.00 0.00 C ATOM 1085 C PHE A 70 13.602 -4.994 1.190 1.00 0.00 C ATOM 1086 O PHE A 70 14.117 -4.358 2.118 1.00 0.00 O ATOM 1087 CB PHE A 70 11.165 -4.608 0.967 1.00 0.00 C ATOM 1088 CG PHE A 70 9.845 -5.153 0.492 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.774 -5.911 -0.690 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.672 -4.795 1.176 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.528 -6.286 -1.200 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.420 -5.191 0.681 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.357 -5.919 -0.524 1.00 0.00 C ATOM 0 H PHE A 70 11.195 -5.662 3.195 1.00 0.00 H new ATOM 0 HA PHE A 70 12.148 -6.527 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.976 -3.951 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.584 -3.990 0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.679 -6.202 -1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.733 -4.214 2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.468 -6.858 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.516 -4.941 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.396 -6.197 -0.931 1.00 0.00 H new ATOM 1103 N PRO A 71 14.139 -5.078 -0.037 1.00 0.00 N ATOM 1104 CA PRO A 71 15.288 -4.316 -0.498 1.00 0.00 C ATOM 1105 C PRO A 71 14.902 -2.843 -0.640 1.00 0.00 C ATOM 1106 O PRO A 71 13.738 -2.487 -0.468 1.00 0.00 O ATOM 1107 CB PRO A 71 15.637 -4.940 -1.846 1.00 0.00 C ATOM 1108 CG PRO A 71 14.273 -5.323 -2.408 1.00 0.00 C ATOM 1109 CD PRO A 71 13.485 -5.706 -1.178 1.00 0.00 C ATOM 0 HA PRO A 71 16.135 -4.347 0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.158 -4.235 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.286 -5.809 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.810 -4.492 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.347 -6.151 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.452 -5.370 -1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.459 -6.789 -1.059 1.00 0.00 H new ATOM 1117 N GLU A 72 15.869 -1.981 -0.941 1.00 0.00 N ATOM 1118 CA GLU A 72 15.607 -0.588 -1.288 1.00 0.00 C ATOM 1119 C GLU A 72 15.845 -0.394 -2.789 1.00 0.00 C ATOM 1120 O GLU A 72 16.549 -1.201 -3.412 1.00 0.00 O ATOM 1121 CB GLU A 72 16.422 0.317 -0.358 1.00 0.00 C ATOM 1122 CG GLU A 72 17.946 0.277 -0.540 1.00 0.00 C ATOM 1123 CD GLU A 72 18.469 1.414 -1.412 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.132 2.587 -1.141 1.00 0.00 O ATOM 1125 OE2 GLU A 72 19.299 1.155 -2.309 1.00 0.00 O ATOM 0 H GLU A 72 16.858 -2.229 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 72 14.567 -0.303 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.087 1.345 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.192 0.045 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.425 0.326 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.229 -0.676 -0.986 1.00 0.00 H new ATOM 1132 N GLY A 73 15.178 0.600 -3.385 1.00 0.00 N ATOM 1133 CA GLY A 73 15.025 0.802 -4.828 1.00 0.00 C ATOM 1134 C GLY A 73 14.124 -0.253 -5.477 1.00 0.00 C ATOM 1135 O GLY A 73 13.208 0.062 -6.235 1.00 0.00 O ATOM 0 H GLY A 73 14.705 1.324 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.608 1.793 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.007 0.777 -5.301 1.00 0.00 H new ATOM 1139 N SER A 74 14.354 -1.518 -5.137 1.00 0.00 N ATOM 1140 CA SER A 74 13.595 -2.678 -5.562 1.00 0.00 C ATOM 1141 C SER A 74 12.258 -2.845 -4.799 1.00 0.00 C ATOM 1142 O SER A 74 11.573 -3.852 -4.988 1.00 0.00 O ATOM 1143 CB SER A 74 14.512 -3.897 -5.462 1.00 0.00 C ATOM 1144 OG SER A 74 15.650 -3.766 -6.290 1.00 0.00 O ATOM 0 H SER A 74 15.125 -1.770 -4.518 1.00 0.00 H new ATOM 0 HA SER A 74 13.279 -2.550 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.828 -4.030 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.958 -4.793 -5.744 1.00 0.00 H new ATOM 0 HG SER A 74 16.214 -4.562 -6.199 1.00 0.00 H new ATOM 1150 N VAL A 75 11.843 -1.866 -3.986 1.00 0.00 N ATOM 1151 CA VAL A 75 10.462 -1.684 -3.529 1.00 0.00 C ATOM 1152 C VAL A 75 10.098 -0.221 -3.793 1.00 0.00 C ATOM 1153 O VAL A 75 10.866 0.664 -3.412 1.00 0.00 O ATOM 1154 CB VAL A 75 10.282 -2.117 -2.047 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.924 -1.204 -0.983 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.801 -2.240 -1.666 1.00 0.00 C ATOM 0 H VAL A 75 12.479 -1.158 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 75 9.775 -2.330 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 75 10.806 -3.073 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.730 -1.610 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.000 -1.151 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.496 -0.204 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.718 -2.544 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.309 -1.277 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.323 -2.986 -2.301 1.00 0.00 H new ATOM 1166 N GLU A 76 8.947 0.041 -4.409 1.00 0.00 N ATOM 1167 CA GLU A 76 8.373 1.374 -4.548 1.00 0.00 C ATOM 1168 C GLU A 76 6.986 1.365 -3.915 1.00 0.00 C ATOM 1169 O GLU A 76 6.281 0.352 -3.967 1.00 0.00 O ATOM 1170 CB GLU A 76 8.258 1.773 -6.030 1.00 0.00 C ATOM 1171 CG GLU A 76 8.594 3.254 -6.268 1.00 0.00 C ATOM 1172 CD GLU A 76 10.057 3.612 -5.969 1.00 0.00 C ATOM 1173 OE1 GLU A 76 10.918 3.541 -6.874 1.00 0.00 O ATOM 1174 OE2 GLU A 76 10.345 4.085 -4.843 1.00 0.00 O ATOM 0 H GLU A 76 8.375 -0.688 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 76 9.020 2.098 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.929 1.152 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.245 1.573 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.373 3.505 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.944 3.869 -5.645 1.00 0.00 H new ATOM 1181 N LEU A 77 6.570 2.506 -3.367 1.00 0.00 N ATOM 1182 CA LEU A 77 5.214 2.724 -2.888 1.00 0.00 C ATOM 1183 C LEU A 77 4.595 3.805 -3.766 1.00 0.00 C ATOM 1184 O LEU A 77 5.255 4.770 -4.158 1.00 0.00 O ATOM 1185 CB LEU A 77 5.194 3.139 -1.401 1.00 0.00 C ATOM 1186 CG LEU A 77 5.242 1.978 -0.387 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.561 1.199 -0.398 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.020 2.530 1.028 1.00 0.00 C ATOM 0 H LEU A 77 7.179 3.315 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 77 4.641 1.799 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.043 3.797 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.292 3.722 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 77 4.455 1.284 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.518 0.399 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.722 0.770 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.383 1.872 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.053 1.712 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.802 3.252 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.047 3.019 1.079 1.00 0.00 H new ATOM 1200 N TYR A 78 3.300 3.680 -4.019 1.00 0.00 N ATOM 1201 CA TYR A 78 2.466 4.608 -4.754 1.00 0.00 C ATOM 1202 C TYR A 78 1.175 4.792 -3.954 1.00 0.00 C ATOM 1203 O TYR A 78 0.833 3.976 -3.088 1.00 0.00 O ATOM 1204 CB TYR A 78 2.172 4.026 -6.145 1.00 0.00 C ATOM 1205 CG TYR A 78 3.398 3.705 -6.987 1.00 0.00 C ATOM 1206 CD1 TYR A 78 3.986 4.696 -7.802 1.00 0.00 C ATOM 1207 CD2 TYR A 78 3.954 2.410 -6.955 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.100 4.387 -8.611 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.056 2.102 -7.760 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.627 3.074 -8.601 1.00 0.00 C ATOM 1211 OH TYR A 78 6.711 2.722 -9.343 1.00 0.00 O ATOM 0 H TYR A 78 2.772 2.871 -3.692 1.00 0.00 H new ATOM 0 HA TYR A 78 2.958 5.571 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.586 3.115 -6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.550 4.734 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.581 5.697 -7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.529 1.656 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.547 5.148 -9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.473 1.106 -7.735 1.00 0.00 H new ATOM 0 HH TYR A 78 6.915 1.775 -9.195 1.00 0.00 H new ATOM 1221 N ALA A 79 0.438 5.856 -4.264 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.920 6.090 -3.799 1.00 0.00 C ATOM 1223 C ALA A 79 -1.811 6.084 -5.031 1.00 0.00 C ATOM 1224 O ALA A 79 -1.401 6.590 -6.078 1.00 0.00 O ATOM 1225 CB ALA A 79 -1.002 7.458 -3.107 1.00 0.00 C ATOM 0 H ALA A 79 0.785 6.602 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.229 5.327 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.021 7.630 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.321 7.477 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.722 8.240 -3.813 1.00 0.00 H new ATOM 1231 N GLU A 80 -3.032 5.588 -4.906 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.013 5.607 -5.973 1.00 0.00 C ATOM 1233 C GLU A 80 -5.374 5.932 -5.387 1.00 0.00 C ATOM 1234 O GLU A 80 -5.711 5.459 -4.300 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.049 4.252 -6.662 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.604 4.382 -8.066 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.785 3.039 -8.759 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -3.785 2.495 -9.273 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -5.946 2.657 -9.044 1.00 0.00 O ATOM 0 H GLU A 80 -3.372 5.155 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.745 6.365 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.045 3.830 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.663 3.561 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.564 4.896 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.934 5.004 -8.660 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.161 6.725 -6.104 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.517 7.018 -5.692 1.00 0.00 C ATOM 1248 C LYS A 81 -8.424 5.857 -6.082 1.00 0.00 C ATOM 1249 O LYS A 81 -8.314 5.302 -7.180 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.002 8.348 -6.280 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.164 9.415 -5.179 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.268 10.415 -5.522 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.919 11.371 -6.666 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.115 12.532 -6.232 1.00 0.00 N ATOM 0 H LYS A 81 -5.877 7.175 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.547 7.131 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.292 8.699 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.954 8.199 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.395 8.928 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.221 9.945 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.171 9.865 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.501 11.001 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.370 10.824 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.840 11.728 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.912 13.140 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.645 13.075 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.221 12.200 -5.818 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.344 5.528 -5.183 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.343 4.486 -5.391 1.00 0.00 C ATOM 1270 C VAL A 82 -11.368 4.922 -6.432 1.00 0.00 C ATOM 1271 O VAL A 82 -11.636 6.122 -6.583 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.049 4.138 -4.062 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.059 3.609 -3.029 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.853 5.292 -3.456 1.00 0.00 C ATOM 0 H VAL A 82 -9.418 5.985 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.833 3.596 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.765 3.359 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.588 3.374 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.580 2.708 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.301 4.367 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.316 4.964 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.188 6.132 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.628 5.603 -4.157 1.00 0.00 H new