USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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 -137:sc= 0.926 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.891 K(o=2,f=-1.7!) USER MOD Set 2.2: A 25 TYR OH : rot -164:sc= 1.11 USER MOD Single : A 9 LYS NZ :NH3+ 127:sc= 1.2 (180deg=-0.171) USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.28 USER MOD Single : A 26 SER OG : rot -140:sc= -0.441 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00345 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc=-0.00502 K(o=-0.005,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 65 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.82) 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+ 173:sc=-0.00606 (180deg=-0.0667) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.531 -12.516 1.196 1.00 0.00 N ATOM 67 CA PHE A 8 2.063 -11.163 1.389 1.00 0.00 C ATOM 68 C PHE A 8 0.996 -10.068 1.395 1.00 0.00 C ATOM 69 O PHE A 8 0.952 -9.253 2.317 1.00 0.00 O ATOM 70 CB PHE A 8 3.093 -10.895 0.280 1.00 0.00 C ATOM 71 CG PHE A 8 3.545 -9.449 0.211 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.435 -8.947 1.174 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.016 -8.585 -0.766 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.820 -7.595 1.135 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.381 -7.232 -0.782 1.00 0.00 C ATOM 76 CZ PHE A 8 4.290 -6.740 0.161 1.00 0.00 C ATOM 0 HA PHE A 8 2.518 -11.126 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.963 -11.532 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.663 -11.179 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.823 -9.598 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.327 -8.966 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.526 -7.215 1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.960 -6.568 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.583 -5.701 0.138 1.00 0.00 H new ATOM 86 N LYS A 9 0.143 -10.045 0.365 1.00 0.00 N ATOM 87 CA LYS A 9 -0.866 -9.010 0.180 1.00 0.00 C ATOM 88 C LYS A 9 -1.747 -8.836 1.416 1.00 0.00 C ATOM 89 O LYS A 9 -2.124 -7.707 1.713 1.00 0.00 O ATOM 90 CB LYS A 9 -1.705 -9.345 -1.063 1.00 0.00 C ATOM 91 CG LYS A 9 -2.532 -8.148 -1.542 1.00 0.00 C ATOM 92 CD LYS A 9 -3.181 -8.444 -2.902 1.00 0.00 C ATOM 93 CE LYS A 9 -3.787 -7.161 -3.471 1.00 0.00 C ATOM 94 NZ LYS A 9 -5.014 -6.746 -2.760 1.00 0.00 N ATOM 0 H LYS A 9 0.138 -10.754 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.362 -8.055 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.046 -9.674 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.371 -10.177 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.304 -7.916 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.894 -7.268 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.438 -8.844 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.954 -9.205 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.050 -6.360 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.016 -7.309 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.919 -5.757 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.831 -6.834 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.156 -7.355 -1.929 1.00 0.00 H new ATOM 108 N ALA A 10 -2.068 -9.921 2.124 1.00 0.00 N ATOM 109 CA ALA A 10 -2.931 -9.868 3.287 1.00 0.00 C ATOM 110 C ALA A 10 -2.261 -9.116 4.428 1.00 0.00 C ATOM 111 O ALA A 10 -2.870 -8.198 4.970 1.00 0.00 O ATOM 112 CB ALA A 10 -3.317 -11.272 3.730 1.00 0.00 C ATOM 0 H ALA A 10 -1.732 -10.858 1.900 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.837 -9.329 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.965 -11.212 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.845 -11.777 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.418 -11.834 3.982 1.00 0.00 H new ATOM 118 N GLU A 11 -1.028 -9.493 4.779 1.00 0.00 N ATOM 119 CA GLU A 11 -0.231 -8.847 5.822 1.00 0.00 C ATOM 120 C GLU A 11 -0.111 -7.355 5.535 1.00 0.00 C ATOM 121 O GLU A 11 -0.248 -6.523 6.433 1.00 0.00 O ATOM 122 CB GLU A 11 1.188 -9.435 5.846 1.00 0.00 C ATOM 123 CG GLU A 11 1.441 -10.585 6.819 1.00 0.00 C ATOM 124 CD GLU A 11 2.027 -10.062 8.135 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.286 -9.425 8.921 1.00 0.00 O ATOM 126 OE2 GLU A 11 3.261 -10.193 8.312 1.00 0.00 O ATOM 0 H GLU A 11 -0.546 -10.274 4.334 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.726 -9.014 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.429 -9.781 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.885 -8.631 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.508 -11.114 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.127 -11.304 6.370 1.00 0.00 H new ATOM 133 N LEU A 12 0.193 -7.027 4.277 1.00 0.00 N ATOM 134 CA LEU A 12 0.432 -5.665 3.834 1.00 0.00 C ATOM 135 C LEU A 12 -0.851 -4.842 3.910 1.00 0.00 C ATOM 136 O LEU A 12 -0.822 -3.703 4.372 1.00 0.00 O ATOM 137 CB LEU A 12 0.997 -5.713 2.411 1.00 0.00 C ATOM 138 CG LEU A 12 1.505 -4.337 1.945 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.872 -4.029 2.576 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.569 -4.304 0.418 1.00 0.00 C ATOM 0 H LEU A 12 0.280 -7.717 3.531 1.00 0.00 H new ATOM 0 HA LEU A 12 1.155 -5.176 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.814 -6.434 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.225 -6.065 1.726 1.00 0.00 H new ATOM 0 HG LEU A 12 0.812 -3.563 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.218 -3.053 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.779 -4.024 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.591 -4.792 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.929 -3.329 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.249 -5.079 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.574 -4.480 0.008 1.00 0.00 H new ATOM 152 N ASN A 13 -1.973 -5.417 3.477 1.00 0.00 N ATOM 153 CA ASN A 13 -3.277 -4.768 3.529 1.00 0.00 C ATOM 154 C ASN A 13 -3.678 -4.526 4.974 1.00 0.00 C ATOM 155 O ASN A 13 -4.066 -3.419 5.321 1.00 0.00 O ATOM 156 CB ASN A 13 -4.295 -5.661 2.821 1.00 0.00 C ATOM 157 CG ASN A 13 -5.641 -4.972 2.700 1.00 0.00 C ATOM 158 OD1 ASN A 13 -5.701 -3.824 2.279 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.724 -5.660 3.007 1.00 0.00 N ATOM 0 H ASN A 13 -1.999 -6.355 3.077 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.238 -3.801 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.926 -5.921 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.410 -6.594 3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.645 -5.237 2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.640 -6.615 3.355 1.00 0.00 H new ATOM 166 N GLU A 14 -3.539 -5.536 5.828 1.00 0.00 N ATOM 167 CA GLU A 14 -3.788 -5.463 7.267 1.00 0.00 C ATOM 168 C GLU A 14 -2.926 -4.390 7.938 1.00 0.00 C ATOM 169 O GLU A 14 -3.424 -3.609 8.750 1.00 0.00 O ATOM 170 CB GLU A 14 -3.480 -6.838 7.876 1.00 0.00 C ATOM 171 CG GLU A 14 -4.648 -7.812 7.696 1.00 0.00 C ATOM 172 CD GLU A 14 -5.665 -7.581 8.808 1.00 0.00 C ATOM 173 OE1 GLU A 14 -5.444 -8.136 9.909 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.629 -6.813 8.590 1.00 0.00 O ATOM 0 H GLU A 14 -3.239 -6.463 5.527 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.830 -5.190 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.586 -7.251 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.261 -6.725 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.115 -7.664 6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.288 -8.840 7.723 1.00 0.00 H new ATOM 181 N PHE A 15 -1.639 -4.336 7.581 1.00 0.00 N ATOM 182 CA PHE A 15 -0.701 -3.346 8.084 1.00 0.00 C ATOM 183 C PHE A 15 -1.251 -1.948 7.779 1.00 0.00 C ATOM 184 O PHE A 15 -1.518 -1.167 8.698 1.00 0.00 O ATOM 185 CB PHE A 15 0.704 -3.587 7.492 1.00 0.00 C ATOM 186 CG PHE A 15 1.599 -2.367 7.556 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.045 -1.881 8.796 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.871 -1.641 6.382 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.708 -0.646 8.865 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.509 -0.393 6.454 1.00 0.00 C ATOM 191 CZ PHE A 15 2.906 0.111 7.701 1.00 0.00 C ATOM 0 H PHE A 15 -1.220 -4.993 6.923 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.592 -3.433 9.165 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.181 -4.407 8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.604 -3.901 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.878 -2.457 9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.588 -2.046 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.066 -0.278 9.815 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.693 0.176 5.555 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.366 1.086 7.765 1.00 0.00 H new ATOM 201 N LEU A 16 -1.447 -1.663 6.488 1.00 0.00 N ATOM 202 CA LEU A 16 -1.941 -0.385 5.991 1.00 0.00 C ATOM 203 C LEU A 16 -3.311 -0.024 6.566 1.00 0.00 C ATOM 204 O LEU A 16 -3.518 1.135 6.909 1.00 0.00 O ATOM 205 CB LEU A 16 -2.024 -0.432 4.462 1.00 0.00 C ATOM 206 CG LEU A 16 -0.667 -0.442 3.742 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.870 -0.816 2.273 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.049 0.909 3.852 1.00 0.00 C ATOM 0 H LEU A 16 -1.260 -2.335 5.744 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.240 0.385 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.581 -1.322 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.596 0.429 4.117 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.033 -1.185 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.093 -0.823 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.322 -1.806 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.526 -0.086 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.004 0.858 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.569 1.686 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.222 1.145 4.902 1.00 0.00 H new ATOM 220 N THR A 17 -4.220 -0.990 6.726 1.00 0.00 N ATOM 221 CA THR A 17 -5.570 -0.779 7.250 1.00 0.00 C ATOM 222 C THR A 17 -5.545 -0.023 8.577 1.00 0.00 C ATOM 223 O THR A 17 -6.443 0.778 8.849 1.00 0.00 O ATOM 224 CB THR A 17 -6.292 -2.135 7.406 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.455 -2.758 6.154 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.692 -2.021 8.012 1.00 0.00 C ATOM 0 H THR A 17 -4.032 -1.964 6.489 1.00 0.00 H new ATOM 0 HA THR A 17 -6.119 -0.164 6.537 1.00 0.00 H new ATOM 0 HB THR A 17 -5.655 -2.711 8.077 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.615 -3.190 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.136 -3.013 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.624 -1.574 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.315 -1.394 7.374 1.00 0.00 H new ATOM 234 N ARG A 18 -4.552 -0.301 9.421 1.00 0.00 N ATOM 235 CA ARG A 18 -4.469 0.287 10.747 1.00 0.00 C ATOM 236 C ARG A 18 -3.667 1.579 10.702 1.00 0.00 C ATOM 237 O ARG A 18 -4.054 2.535 11.369 1.00 0.00 O ATOM 238 CB ARG A 18 -3.936 -0.761 11.721 1.00 0.00 C ATOM 239 CG ARG A 18 -5.017 -1.844 11.908 1.00 0.00 C ATOM 240 CD ARG A 18 -4.444 -3.100 12.539 1.00 0.00 C ATOM 241 NE ARG A 18 -4.188 -2.950 13.980 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.385 -3.744 14.689 1.00 0.00 C ATOM 243 NH1 ARG A 18 -2.516 -4.537 14.077 1.00 0.00 N ATOM 244 NH2 ARG A 18 -3.441 -3.753 16.013 1.00 0.00 N ATOM 0 H ARG A 18 -3.787 -0.939 9.201 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.454 0.578 11.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.017 -1.204 11.336 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.691 -0.300 12.678 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.819 -1.454 12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.458 -2.090 10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.136 -3.928 12.382 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.514 -3.362 12.035 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.656 -2.187 14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.459 -4.542 13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.904 -5.142 14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.103 -3.149 16.500 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.822 -4.364 16.545 1.00 0.00 H new ATOM 258 N GLU A 19 -2.589 1.645 9.921 1.00 0.00 N ATOM 259 CA GLU A 19 -1.781 2.850 9.800 1.00 0.00 C ATOM 260 C GLU A 19 -2.512 3.994 9.092 1.00 0.00 C ATOM 261 O GLU A 19 -2.183 5.152 9.348 1.00 0.00 O ATOM 262 CB GLU A 19 -0.480 2.481 9.072 1.00 0.00 C ATOM 263 CG GLU A 19 0.694 2.362 10.045 1.00 0.00 C ATOM 264 CD GLU A 19 0.449 1.403 11.212 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.120 1.791 12.257 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.881 0.237 11.131 1.00 0.00 O ATOM 0 H GLU A 19 -2.255 0.864 9.357 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.564 3.226 10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.613 1.537 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.255 3.238 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.574 2.029 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.922 3.350 10.444 1.00 0.00 H new ATOM 273 N LEU A 20 -3.495 3.682 8.241 1.00 0.00 N ATOM 274 CA LEU A 20 -4.275 4.626 7.436 1.00 0.00 C ATOM 275 C LEU A 20 -5.758 4.595 7.844 1.00 0.00 C ATOM 276 O LEU A 20 -6.644 4.952 7.056 1.00 0.00 O ATOM 277 CB LEU A 20 -4.067 4.316 5.940 1.00 0.00 C ATOM 278 CG LEU A 20 -2.625 4.514 5.442 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.522 3.978 4.013 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.207 5.990 5.463 1.00 0.00 C ATOM 0 H LEU A 20 -3.782 2.715 8.088 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.926 5.642 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.365 3.285 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.731 4.952 5.354 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.955 3.973 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.504 4.112 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.775 2.918 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.214 4.522 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.182 6.083 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.871 6.565 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.270 6.372 6.482 1.00 0.00 H new ATOM 292 N ALA A 21 -6.038 4.144 9.073 1.00 0.00 N ATOM 293 CA ALA A 21 -7.381 3.984 9.616 1.00 0.00 C ATOM 294 C ALA A 21 -8.176 5.289 9.551 1.00 0.00 C ATOM 295 O ALA A 21 -9.302 5.298 9.046 1.00 0.00 O ATOM 296 CB ALA A 21 -7.289 3.482 11.061 1.00 0.00 C ATOM 0 H ALA A 21 -5.309 3.873 9.733 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.913 3.252 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.293 3.362 11.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.772 2.523 11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.737 4.204 11.663 1.00 0.00 H new ATOM 302 N GLU A 22 -7.615 6.383 10.070 1.00 0.00 N ATOM 303 CA GLU A 22 -8.274 7.685 10.030 1.00 0.00 C ATOM 304 C GLU A 22 -8.214 8.290 8.623 1.00 0.00 C ATOM 305 O GLU A 22 -9.094 9.070 8.256 1.00 0.00 O ATOM 306 CB GLU A 22 -7.635 8.631 11.060 1.00 0.00 C ATOM 307 CG GLU A 22 -8.097 8.290 12.483 1.00 0.00 C ATOM 308 CD GLU A 22 -7.330 9.083 13.542 1.00 0.00 C ATOM 309 OE1 GLU A 22 -7.668 10.261 13.805 1.00 0.00 O ATOM 310 OE2 GLU A 22 -6.398 8.497 14.147 1.00 0.00 O ATOM 0 H GLU A 22 -6.702 6.390 10.524 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.325 7.548 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.549 8.559 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.900 9.662 10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.163 8.497 12.577 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.963 7.223 12.662 1.00 0.00 H new ATOM 317 N ASP A 23 -7.211 7.934 7.817 1.00 0.00 N ATOM 318 CA ASP A 23 -6.927 8.587 6.542 1.00 0.00 C ATOM 319 C ASP A 23 -8.036 8.367 5.527 1.00 0.00 C ATOM 320 O ASP A 23 -8.287 9.259 4.714 1.00 0.00 O ATOM 321 CB ASP A 23 -5.624 8.072 5.917 1.00 0.00 C ATOM 322 CG ASP A 23 -4.402 8.508 6.707 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.249 8.087 7.874 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.609 9.325 6.194 1.00 0.00 O ATOM 0 H ASP A 23 -6.567 7.174 8.036 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.841 9.649 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.652 6.984 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.543 8.438 4.893 1.00 0.00 H new ATOM 329 N GLY A 24 -8.674 7.190 5.539 1.00 0.00 N ATOM 330 CA GLY A 24 -9.665 6.802 4.537 1.00 0.00 C ATOM 331 C GLY A 24 -9.198 5.670 3.626 1.00 0.00 C ATOM 332 O GLY A 24 -9.559 5.647 2.447 1.00 0.00 O ATOM 0 H GLY A 24 -8.513 6.478 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.581 6.496 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.912 7.671 3.927 1.00 0.00 H new ATOM 336 N TYR A 25 -8.399 4.736 4.149 1.00 0.00 N ATOM 337 CA TYR A 25 -7.924 3.570 3.415 1.00 0.00 C ATOM 338 C TYR A 25 -9.066 2.794 2.743 1.00 0.00 C ATOM 339 O TYR A 25 -10.218 2.845 3.189 1.00 0.00 O ATOM 340 CB TYR A 25 -7.171 2.673 4.404 1.00 0.00 C ATOM 341 CG TYR A 25 -6.421 1.525 3.769 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.390 1.802 2.854 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.742 0.191 4.090 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.688 0.741 2.261 1.00 0.00 C ATOM 345 CE2 TYR A 25 -5.983 -0.864 3.553 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.953 -0.579 2.645 1.00 0.00 C ATOM 347 OH TYR A 25 -4.215 -1.572 2.108 1.00 0.00 O ATOM 0 H TYR A 25 -8.061 4.774 5.111 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.268 3.899 2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.464 3.286 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.884 2.270 5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.140 2.824 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.571 -0.021 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.942 0.943 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.191 -1.885 3.837 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.663 -2.431 2.258 1.00 0.00 H new ATOM 357 N SER A 26 -8.744 2.025 1.705 1.00 0.00 N ATOM 358 CA SER A 26 -9.624 1.055 1.066 1.00 0.00 C ATOM 359 C SER A 26 -8.898 -0.282 0.966 1.00 0.00 C ATOM 360 O SER A 26 -9.398 -1.273 1.495 1.00 0.00 O ATOM 361 CB SER A 26 -10.063 1.567 -0.311 1.00 0.00 C ATOM 362 OG SER A 26 -11.037 2.593 -0.176 1.00 0.00 O ATOM 0 H SER A 26 -7.823 2.064 1.269 1.00 0.00 H new ATOM 0 HA SER A 26 -10.526 0.916 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.199 1.948 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.472 0.744 -0.897 1.00 0.00 H new ATOM 0 HG SER A 26 -11.726 2.483 -0.864 1.00 0.00 H new ATOM 368 N GLY A 27 -7.731 -0.325 0.326 1.00 0.00 N ATOM 369 CA GLY A 27 -7.005 -1.560 0.092 1.00 0.00 C ATOM 370 C GLY A 27 -5.666 -1.254 -0.551 1.00 0.00 C ATOM 371 O GLY A 27 -5.226 -0.109 -0.571 1.00 0.00 O ATOM 0 H GLY A 27 -7.265 0.503 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.855 -2.088 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.587 -2.218 -0.553 1.00 0.00 H new ATOM 375 N VAL A 28 -4.999 -2.267 -1.080 1.00 0.00 N ATOM 376 CA VAL A 28 -3.694 -2.113 -1.702 1.00 0.00 C ATOM 377 C VAL A 28 -3.623 -3.089 -2.863 1.00 0.00 C ATOM 378 O VAL A 28 -4.276 -4.136 -2.849 1.00 0.00 O ATOM 379 CB VAL A 28 -2.597 -2.320 -0.630 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.712 -3.688 0.069 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.165 -2.152 -1.151 1.00 0.00 C ATOM 0 H VAL A 28 -5.350 -3.225 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.533 -1.113 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.784 -1.521 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.920 -3.785 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.682 -3.765 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.615 -4.483 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.460 -2.314 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.978 -2.878 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.038 -1.144 -1.546 1.00 0.00 H new ATOM 391 N GLU A 29 -2.796 -2.782 -3.849 1.00 0.00 N ATOM 392 CA GLU A 29 -2.364 -3.704 -4.876 1.00 0.00 C ATOM 393 C GLU A 29 -0.845 -3.725 -4.855 1.00 0.00 C ATOM 394 O GLU A 29 -0.194 -2.772 -4.433 1.00 0.00 O ATOM 395 CB GLU A 29 -2.959 -3.308 -6.232 1.00 0.00 C ATOM 396 CG GLU A 29 -4.423 -3.770 -6.261 1.00 0.00 C ATOM 397 CD GLU A 29 -5.189 -3.354 -7.513 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.629 -3.331 -8.631 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.407 -3.094 -7.368 1.00 0.00 O ATOM 0 H GLU A 29 -2.395 -1.850 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.723 -4.716 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.897 -2.229 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.397 -3.770 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.450 -4.856 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.935 -3.370 -5.386 1.00 0.00 H new ATOM 406 N VAL A 30 -0.287 -4.852 -5.268 1.00 0.00 N ATOM 407 CA VAL A 30 1.137 -5.073 -5.389 1.00 0.00 C ATOM 408 C VAL A 30 1.378 -5.707 -6.752 1.00 0.00 C ATOM 409 O VAL A 30 0.643 -6.612 -7.178 1.00 0.00 O ATOM 410 CB VAL A 30 1.664 -5.893 -4.193 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.954 -7.239 -4.003 1.00 0.00 C ATOM 412 CG2 VAL A 30 3.178 -6.152 -4.317 1.00 0.00 C ATOM 0 H VAL A 30 -0.839 -5.666 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 30 1.704 -4.143 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 30 1.451 -5.278 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.380 -7.757 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.109 -7.069 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.086 -7.849 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.519 -6.732 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.378 -6.707 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.709 -5.200 -4.346 1.00 0.00 H new ATOM 422 N ARG A 31 2.415 -5.244 -7.436 1.00 0.00 N ATOM 423 CA ARG A 31 2.867 -5.798 -8.696 1.00 0.00 C ATOM 424 C ARG A 31 4.253 -6.371 -8.468 1.00 0.00 C ATOM 425 O ARG A 31 5.004 -5.935 -7.589 1.00 0.00 O ATOM 426 CB ARG A 31 2.854 -4.766 -9.835 1.00 0.00 C ATOM 427 CG ARG A 31 1.804 -3.648 -9.704 1.00 0.00 C ATOM 428 CD ARG A 31 1.829 -2.615 -10.840 1.00 0.00 C ATOM 429 NE ARG A 31 1.240 -3.160 -12.068 1.00 0.00 N ATOM 430 CZ ARG A 31 1.857 -3.952 -12.947 1.00 0.00 C ATOM 431 NH1 ARG A 31 3.183 -4.093 -12.953 1.00 0.00 N ATOM 432 NH2 ARG A 31 1.115 -4.629 -13.809 1.00 0.00 N ATOM 0 H ARG A 31 2.976 -4.453 -7.119 1.00 0.00 H new ATOM 0 HA ARG A 31 2.180 -6.581 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.841 -4.308 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.685 -5.291 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.813 -4.100 -9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.958 -3.131 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.281 -1.723 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.857 -2.307 -11.032 1.00 0.00 H new ATOM 0 HE ARG A 31 0.271 -2.911 -12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.753 -3.588 -12.274 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.628 -4.705 -13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.099 -4.537 -13.790 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.559 -5.242 -14.493 1.00 0.00 H new ATOM 446 N VAL A 32 4.568 -7.371 -9.271 1.00 0.00 N ATOM 447 CA VAL A 32 5.752 -8.194 -9.153 1.00 0.00 C ATOM 448 C VAL A 32 6.362 -8.169 -10.538 1.00 0.00 C ATOM 449 O VAL A 32 5.873 -8.836 -11.452 1.00 0.00 O ATOM 450 CB VAL A 32 5.376 -9.594 -8.630 1.00 0.00 C ATOM 451 CG1 VAL A 32 6.601 -10.511 -8.534 1.00 0.00 C ATOM 452 CG2 VAL A 32 4.729 -9.469 -7.242 1.00 0.00 C ATOM 0 H VAL A 32 3.977 -7.641 -10.057 1.00 0.00 H new ATOM 0 HA VAL A 32 6.481 -7.837 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 32 4.674 -10.036 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.295 -11.489 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.050 -10.623 -9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.330 -10.074 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.464 -10.460 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.433 -9.002 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.831 -8.856 -7.313 1.00 0.00 H new ATOM 462 N THR A 33 7.324 -7.278 -10.720 1.00 0.00 N ATOM 463 CA THR A 33 7.964 -7.033 -11.997 1.00 0.00 C ATOM 464 C THR A 33 9.473 -7.304 -11.859 1.00 0.00 C ATOM 465 O THR A 33 9.989 -7.376 -10.733 1.00 0.00 O ATOM 466 CB THR A 33 7.559 -5.617 -12.461 1.00 0.00 C ATOM 467 OG1 THR A 33 7.770 -4.650 -11.458 1.00 0.00 O ATOM 468 CG2 THR A 33 6.073 -5.559 -12.819 1.00 0.00 C ATOM 0 H THR A 33 7.687 -6.694 -9.966 1.00 0.00 H new ATOM 0 HA THR A 33 7.638 -7.708 -12.788 1.00 0.00 H new ATOM 0 HB THR A 33 8.183 -5.402 -13.329 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.002 -4.042 -11.423 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.816 -4.550 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.865 -6.263 -13.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.478 -5.823 -11.945 1.00 0.00 H new ATOM 476 N PRO A 34 10.216 -7.461 -12.971 1.00 0.00 N ATOM 477 CA PRO A 34 11.647 -7.756 -12.933 1.00 0.00 C ATOM 478 C PRO A 34 12.487 -6.500 -12.647 1.00 0.00 C ATOM 479 O PRO A 34 13.697 -6.500 -12.882 1.00 0.00 O ATOM 480 CB PRO A 34 11.953 -8.386 -14.297 1.00 0.00 C ATOM 481 CG PRO A 34 10.950 -7.730 -15.238 1.00 0.00 C ATOM 482 CD PRO A 34 9.740 -7.440 -14.351 1.00 0.00 C ATOM 0 HA PRO A 34 11.907 -8.433 -12.120 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.979 -8.189 -14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.830 -9.469 -14.274 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.352 -6.816 -15.675 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.689 -8.390 -16.065 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.305 -6.471 -14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.961 -8.187 -14.503 1.00 0.00 H new ATOM 490 N THR A 35 11.860 -5.411 -12.203 1.00 0.00 N ATOM 491 CA THR A 35 12.410 -4.067 -12.202 1.00 0.00 C ATOM 492 C THR A 35 12.459 -3.515 -10.779 1.00 0.00 C ATOM 493 O THR A 35 13.495 -2.967 -10.389 1.00 0.00 O ATOM 494 CB THR A 35 11.570 -3.206 -13.156 1.00 0.00 C ATOM 495 OG1 THR A 35 10.193 -3.450 -12.956 1.00 0.00 O ATOM 496 CG2 THR A 35 11.884 -3.570 -14.604 1.00 0.00 C ATOM 0 H THR A 35 10.916 -5.449 -11.819 1.00 0.00 H new ATOM 0 HA THR A 35 13.440 -4.063 -12.559 1.00 0.00 H new ATOM 0 HB THR A 35 11.808 -2.161 -12.956 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.670 -2.893 -13.570 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.283 -2.954 -15.273 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.942 -3.395 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.652 -4.621 -14.773 1.00 0.00 H new ATOM 504 N ARG A 36 11.381 -3.676 -10.004 1.00 0.00 N ATOM 505 CA ARG A 36 11.321 -3.564 -8.545 1.00 0.00 C ATOM 506 C ARG A 36 10.029 -4.262 -8.094 1.00 0.00 C ATOM 507 O ARG A 36 9.244 -4.677 -8.943 1.00 0.00 O ATOM 508 CB ARG A 36 11.426 -2.093 -8.086 1.00 0.00 C ATOM 509 CG ARG A 36 10.438 -1.115 -8.744 1.00 0.00 C ATOM 510 CD ARG A 36 10.783 0.340 -8.394 1.00 0.00 C ATOM 511 NE ARG A 36 11.991 0.814 -9.094 1.00 0.00 N ATOM 512 CZ ARG A 36 12.583 2.007 -8.960 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.162 2.892 -8.063 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.596 2.303 -9.761 1.00 0.00 N ATOM 0 H ARG A 36 10.471 -3.902 -10.405 1.00 0.00 H new ATOM 0 HA ARG A 36 12.173 -4.054 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.279 -2.057 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.439 -1.743 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.458 -1.246 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.424 -1.341 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.941 0.983 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.932 0.427 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 36 12.422 0.163 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.372 2.669 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.629 3.795 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.908 1.628 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.064 3.206 -9.679 1.00 0.00 H new ATOM 528 N THR A 37 9.783 -4.431 -6.796 1.00 0.00 N ATOM 529 CA THR A 37 8.415 -4.646 -6.336 1.00 0.00 C ATOM 530 C THR A 37 7.716 -3.284 -6.389 1.00 0.00 C ATOM 531 O THR A 37 8.355 -2.262 -6.147 1.00 0.00 O ATOM 532 CB THR A 37 8.400 -5.265 -4.929 1.00 0.00 C ATOM 533 OG1 THR A 37 9.271 -6.387 -4.856 1.00 0.00 O ATOM 534 CG2 THR A 37 6.987 -5.715 -4.539 1.00 0.00 C ATOM 0 H THR A 37 10.492 -4.424 -6.063 1.00 0.00 H new ATOM 0 HA THR A 37 7.886 -5.357 -6.970 1.00 0.00 H new ATOM 0 HB THR A 37 8.740 -4.494 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.022 -6.945 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.006 -6.149 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.316 -4.856 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.633 -6.460 -5.251 1.00 0.00 H new ATOM 542 N GLU A 38 6.417 -3.257 -6.670 1.00 0.00 N ATOM 543 CA GLU A 38 5.619 -2.046 -6.835 1.00 0.00 C ATOM 544 C GLU A 38 4.402 -2.216 -5.929 1.00 0.00 C ATOM 545 O GLU A 38 3.769 -3.268 -5.969 1.00 0.00 O ATOM 546 CB GLU A 38 5.197 -1.957 -8.309 1.00 0.00 C ATOM 547 CG GLU A 38 6.384 -1.795 -9.280 1.00 0.00 C ATOM 548 CD GLU A 38 5.937 -1.806 -10.749 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.544 -2.878 -11.274 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.980 -0.727 -11.380 1.00 0.00 O ATOM 0 H GLU A 38 5.871 -4.109 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 38 6.160 -1.136 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.641 -2.856 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.518 -1.114 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.901 -0.860 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.100 -2.600 -9.114 1.00 0.00 H new ATOM 557 N ILE A 39 4.087 -1.235 -5.091 1.00 0.00 N ATOM 558 CA ILE A 39 2.979 -1.278 -4.135 1.00 0.00 C ATOM 559 C ILE A 39 2.154 -0.023 -4.389 1.00 0.00 C ATOM 560 O ILE A 39 2.727 1.054 -4.503 1.00 0.00 O ATOM 561 CB ILE A 39 3.524 -1.374 -2.687 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.181 -2.757 -2.460 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.415 -1.123 -1.648 1.00 0.00 C ATOM 564 CD1 ILE A 39 4.952 -2.888 -1.141 1.00 0.00 C ATOM 0 H ILE A 39 4.610 -0.360 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 39 2.349 -2.158 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 39 4.277 -0.596 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.406 -3.522 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.862 -2.961 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.833 -1.198 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.999 -0.126 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.627 -1.867 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.378 -3.888 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.753 -2.149 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.274 -2.720 -0.305 1.00 0.00 H new ATOM 576 N ILE A 40 0.834 -0.152 -4.492 1.00 0.00 N ATOM 577 CA ILE A 40 -0.091 0.924 -4.788 1.00 0.00 C ATOM 578 C ILE A 40 -1.173 0.860 -3.717 1.00 0.00 C ATOM 579 O ILE A 40 -2.054 0.000 -3.749 1.00 0.00 O ATOM 580 CB ILE A 40 -0.641 0.815 -6.232 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.443 0.651 -7.324 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.426 2.104 -6.532 1.00 0.00 C ATOM 583 CD1 ILE A 40 0.903 -0.781 -7.618 1.00 0.00 C ATOM 0 H ILE A 40 0.366 -1.049 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 40 0.396 1.899 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.254 -0.086 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.064 1.085 -8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.314 1.236 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.827 2.058 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.246 2.205 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.762 2.964 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.663 -0.766 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.322 -1.222 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.052 -1.375 -7.951 1.00 0.00 H new ATOM 595 N ILE A 41 -1.059 1.733 -2.721 1.00 0.00 N ATOM 596 CA ILE A 41 -2.069 1.914 -1.688 1.00 0.00 C ATOM 597 C ILE A 41 -3.270 2.565 -2.380 1.00 0.00 C ATOM 598 O ILE A 41 -3.112 3.562 -3.093 1.00 0.00 O ATOM 599 CB ILE A 41 -1.509 2.801 -0.557 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.179 2.261 0.017 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.515 2.911 0.606 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.451 3.204 1.052 1.00 0.00 C ATOM 0 H ILE A 41 -0.249 2.343 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.362 0.971 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.331 3.778 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.356 1.289 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.526 2.103 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.097 3.541 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.444 3.351 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.717 1.918 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.382 2.772 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.657 4.168 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.238 3.342 1.885 1.00 0.00 H new ATOM 614 N LEU A 42 -4.463 2.027 -2.149 1.00 0.00 N ATOM 615 CA LEU A 42 -5.742 2.508 -2.644 1.00 0.00 C ATOM 616 C LEU A 42 -6.455 3.130 -1.448 1.00 0.00 C ATOM 617 O LEU A 42 -6.792 2.424 -0.491 1.00 0.00 O ATOM 618 CB LEU A 42 -6.574 1.344 -3.220 1.00 0.00 C ATOM 619 CG LEU A 42 -5.871 0.516 -4.314 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.727 -0.713 -4.627 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.632 1.332 -5.587 1.00 0.00 C ATOM 0 H LEU A 42 -4.566 1.191 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.606 3.232 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.851 0.677 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.500 1.748 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.892 0.212 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.241 -1.308 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.843 -1.315 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.708 -0.393 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.135 0.709 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.587 1.677 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.004 2.192 -5.355 1.00 0.00 H new ATOM 633 N ALA A 43 -6.683 4.439 -1.476 1.00 0.00 N ATOM 634 CA ALA A 43 -7.408 5.139 -0.418 1.00 0.00 C ATOM 635 C ALA A 43 -8.300 6.220 -1.021 1.00 0.00 C ATOM 636 O ALA A 43 -8.198 6.520 -2.214 1.00 0.00 O ATOM 637 CB ALA A 43 -6.403 5.729 0.569 1.00 0.00 C ATOM 0 H ALA A 43 -6.370 5.046 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.053 4.442 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.937 6.253 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.805 4.927 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.749 6.428 0.048 1.00 0.00 H new ATOM 643 N THR A 44 -9.191 6.819 -0.231 1.00 0.00 N ATOM 644 CA THR A 44 -10.039 7.883 -0.753 1.00 0.00 C ATOM 645 C THR A 44 -9.197 9.138 -1.065 1.00 0.00 C ATOM 646 O THR A 44 -9.330 9.741 -2.132 1.00 0.00 O ATOM 647 CB THR A 44 -11.150 8.205 0.260 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.652 8.355 1.577 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.191 7.088 0.295 1.00 0.00 C ATOM 0 H THR A 44 -9.341 6.590 0.752 1.00 0.00 H new ATOM 0 HA THR A 44 -10.501 7.549 -1.682 1.00 0.00 H new ATOM 0 HB THR A 44 -11.592 9.145 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.392 8.560 2.185 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.967 7.337 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.638 6.976 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.712 6.153 0.585 1.00 0.00 H new ATOM 657 N ARG A 45 -8.319 9.537 -0.139 1.00 0.00 N ATOM 658 CA ARG A 45 -7.649 10.831 -0.048 1.00 0.00 C ATOM 659 C ARG A 45 -6.158 10.591 -0.231 1.00 0.00 C ATOM 660 O ARG A 45 -5.430 10.363 0.732 1.00 0.00 O ATOM 661 CB ARG A 45 -7.947 11.498 1.312 1.00 0.00 C ATOM 662 CG ARG A 45 -9.428 11.832 1.523 1.00 0.00 C ATOM 663 CD ARG A 45 -9.668 12.372 2.938 1.00 0.00 C ATOM 664 NE ARG A 45 -11.032 12.907 3.060 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.596 13.419 4.158 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.036 13.328 5.355 1.00 0.00 N ATOM 667 NH2 ARG A 45 -12.773 14.020 4.073 1.00 0.00 N ATOM 0 H ARG A 45 -8.040 8.916 0.620 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.012 11.508 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.615 10.836 2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.362 12.414 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.747 12.571 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.033 10.940 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.516 11.577 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.943 13.154 3.163 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.608 12.885 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.140 12.853 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.501 13.733 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.246 14.091 3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.207 14.412 4.909 1.00 0.00 H new ATOM 681 N THR A 46 -5.699 10.634 -1.474 1.00 0.00 N ATOM 682 CA THR A 46 -4.318 10.374 -1.854 1.00 0.00 C ATOM 683 C THR A 46 -3.343 11.238 -1.041 1.00 0.00 C ATOM 684 O THR A 46 -2.373 10.719 -0.491 1.00 0.00 O ATOM 685 CB THR A 46 -4.189 10.556 -3.382 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.179 11.427 -3.913 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.449 9.231 -4.090 1.00 0.00 C ATOM 0 H THR A 46 -6.296 10.858 -2.270 1.00 0.00 H new ATOM 0 HA THR A 46 -4.043 9.347 -1.616 1.00 0.00 H new ATOM 0 HB THR A 46 -3.186 10.951 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.055 11.512 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.356 9.370 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.722 8.491 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.455 8.884 -3.855 1.00 0.00 H new ATOM 695 N GLN A 47 -3.621 12.535 -0.880 1.00 0.00 N ATOM 696 CA GLN A 47 -2.742 13.435 -0.137 1.00 0.00 C ATOM 697 C GLN A 47 -2.635 13.119 1.363 1.00 0.00 C ATOM 698 O GLN A 47 -1.675 13.549 2.005 1.00 0.00 O ATOM 699 CB GLN A 47 -3.183 14.885 -0.372 1.00 0.00 C ATOM 700 CG GLN A 47 -4.560 15.229 0.210 1.00 0.00 C ATOM 701 CD GLN A 47 -5.044 16.588 -0.287 1.00 0.00 C ATOM 702 OE1 GLN A 47 -4.375 17.601 -0.125 1.00 0.00 O ATOM 703 NE2 GLN A 47 -6.244 16.650 -0.841 1.00 0.00 N ATOM 0 H GLN A 47 -4.455 12.985 -1.258 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.734 13.283 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.440 15.553 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.196 15.079 -1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.279 14.459 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.507 15.235 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.791 15.799 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.622 17.549 -1.139 1.00 0.00 H new ATOM 712 N ASN A 48 -3.587 12.373 1.933 1.00 0.00 N ATOM 713 CA ASN A 48 -3.531 11.953 3.333 1.00 0.00 C ATOM 714 C ASN A 48 -2.487 10.846 3.446 1.00 0.00 C ATOM 715 O ASN A 48 -1.568 10.955 4.251 1.00 0.00 O ATOM 716 CB ASN A 48 -4.905 11.485 3.851 1.00 0.00 C ATOM 717 CG ASN A 48 -5.918 12.614 4.000 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.871 13.615 3.286 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.865 12.495 4.914 1.00 0.00 N ATOM 0 H ASN A 48 -4.415 12.045 1.436 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.250 12.801 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.306 10.736 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.773 10.997 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.559 13.234 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.902 11.664 5.505 1.00 0.00 H new ATOM 726 N VAL A 49 -2.573 9.846 2.563 1.00 0.00 N ATOM 727 CA VAL A 49 -1.628 8.734 2.460 1.00 0.00 C ATOM 728 C VAL A 49 -0.213 9.246 2.166 1.00 0.00 C ATOM 729 O VAL A 49 0.763 8.720 2.701 1.00 0.00 O ATOM 730 CB VAL A 49 -2.113 7.761 1.364 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.173 6.567 1.155 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.513 7.221 1.686 1.00 0.00 C ATOM 0 H VAL A 49 -3.327 9.788 1.879 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.585 8.203 3.411 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.130 8.347 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.572 5.923 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.187 6.927 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.091 6.002 2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.830 6.538 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.488 6.690 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.217 8.051 1.752 1.00 0.00 H new ATOM 742 N LEU A 50 -0.079 10.268 1.314 1.00 0.00 N ATOM 743 CA LEU A 50 1.221 10.885 1.074 1.00 0.00 C ATOM 744 C LEU A 50 1.728 11.586 2.327 1.00 0.00 C ATOM 745 O LEU A 50 2.917 11.511 2.641 1.00 0.00 O ATOM 746 CB LEU A 50 1.186 11.857 -0.112 1.00 0.00 C ATOM 747 CG LEU A 50 0.912 11.196 -1.475 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.828 12.271 -2.561 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.003 10.194 -1.847 1.00 0.00 C ATOM 0 H LEU A 50 -0.849 10.679 0.786 1.00 0.00 H new ATOM 0 HA LEU A 50 1.914 10.084 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.418 12.608 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.140 12.382 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.033 10.659 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.634 11.800 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.019 12.963 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.771 12.816 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.774 9.749 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.964 10.706 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.051 9.411 -1.090 1.00 0.00 H new ATOM 761 N GLY A 51 0.843 12.269 3.046 1.00 0.00 N ATOM 762 CA GLY A 51 1.232 13.150 4.120 1.00 0.00 C ATOM 763 C GLY A 51 1.898 14.402 3.565 1.00 0.00 C ATOM 764 O GLY A 51 1.969 14.635 2.350 1.00 0.00 O ATOM 0 H GLY A 51 -0.164 12.221 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.356 13.426 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.917 12.634 4.792 1.00 0.00 H new ATOM 768 N GLU A 52 2.379 15.229 4.483 1.00 0.00 N ATOM 769 CA GLU A 52 3.021 16.499 4.201 1.00 0.00 C ATOM 770 C GLU A 52 4.238 16.294 3.305 1.00 0.00 C ATOM 771 O GLU A 52 5.204 15.668 3.732 1.00 0.00 O ATOM 772 CB GLU A 52 3.417 17.131 5.534 1.00 0.00 C ATOM 773 CG GLU A 52 3.977 18.544 5.367 1.00 0.00 C ATOM 774 CD GLU A 52 3.353 19.453 6.410 1.00 0.00 C ATOM 775 OE1 GLU A 52 2.231 19.965 6.163 1.00 0.00 O ATOM 776 OE2 GLU A 52 3.956 19.583 7.502 1.00 0.00 O ATOM 0 H GLU A 52 2.329 15.023 5.481 1.00 0.00 H new ATOM 0 HA GLU A 52 2.338 17.161 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.547 17.163 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.162 16.504 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.061 18.534 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.762 18.918 4.366 1.00 0.00 H new ATOM 783 N LYS A 53 4.203 16.795 2.067 1.00 0.00 N ATOM 784 CA LYS A 53 5.274 16.643 1.075 1.00 0.00 C ATOM 785 C LYS A 53 5.819 15.206 0.961 1.00 0.00 C ATOM 786 O LYS A 53 6.988 15.015 0.607 1.00 0.00 O ATOM 787 CB LYS A 53 6.335 17.749 1.245 1.00 0.00 C ATOM 788 CG LYS A 53 7.135 17.626 2.545 1.00 0.00 C ATOM 789 CD LYS A 53 8.353 18.553 2.583 1.00 0.00 C ATOM 790 CE LYS A 53 9.265 18.192 3.761 1.00 0.00 C ATOM 791 NZ LYS A 53 10.541 18.935 3.699 1.00 0.00 N ATOM 0 H LYS A 53 3.409 17.331 1.717 1.00 0.00 H new ATOM 0 HA LYS A 53 4.841 16.798 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.022 17.717 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.843 18.722 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.484 17.854 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.465 16.594 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.908 18.473 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.026 19.589 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.757 18.415 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.465 17.120 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.137 18.670 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.036 18.702 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.350 19.957 3.730 1.00 0.00 H new ATOM 805 N GLY A 54 4.990 14.187 1.218 1.00 0.00 N ATOM 806 CA GLY A 54 5.376 12.785 1.144 1.00 0.00 C ATOM 807 C GLY A 54 5.791 12.173 2.483 1.00 0.00 C ATOM 808 O GLY A 54 6.220 11.021 2.520 1.00 0.00 O ATOM 0 H GLY A 54 4.016 14.323 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.542 12.212 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.203 12.685 0.441 1.00 0.00 H new ATOM 812 N ARG A 55 5.658 12.906 3.593 1.00 0.00 N ATOM 813 CA ARG A 55 6.015 12.471 4.940 1.00 0.00 C ATOM 814 C ARG A 55 5.523 11.071 5.257 1.00 0.00 C ATOM 815 O ARG A 55 6.336 10.257 5.699 1.00 0.00 O ATOM 816 CB ARG A 55 5.461 13.459 5.980 1.00 0.00 C ATOM 817 CG ARG A 55 6.506 14.453 6.489 1.00 0.00 C ATOM 818 CD ARG A 55 7.390 13.832 7.579 1.00 0.00 C ATOM 819 NE ARG A 55 8.194 14.881 8.217 1.00 0.00 N ATOM 820 CZ ARG A 55 8.609 14.888 9.486 1.00 0.00 C ATOM 821 NH1 ARG A 55 8.664 13.781 10.214 1.00 0.00 N ATOM 822 NH2 ARG A 55 8.992 16.036 10.016 1.00 0.00 N ATOM 0 H ARG A 55 5.284 13.855 3.573 1.00 0.00 H new ATOM 0 HA ARG A 55 7.104 12.450 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.630 14.010 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.061 12.899 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.129 14.784 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.006 15.337 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.770 13.332 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.042 13.074 7.145 1.00 0.00 H new ATOM 0 HE ARG A 55 8.460 15.678 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.384 12.889 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.986 13.822 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.966 16.889 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.313 16.069 10.983 1.00 0.00 H new ATOM 836 N ARG A 56 4.220 10.800 5.132 1.00 0.00 N ATOM 837 CA ARG A 56 3.715 9.498 5.537 1.00 0.00 C ATOM 838 C ARG A 56 4.162 8.458 4.538 1.00 0.00 C ATOM 839 O ARG A 56 4.660 7.443 4.992 1.00 0.00 O ATOM 840 CB ARG A 56 2.192 9.449 5.744 1.00 0.00 C ATOM 841 CG ARG A 56 1.870 8.836 7.120 1.00 0.00 C ATOM 842 CD ARG A 56 1.877 9.906 8.221 1.00 0.00 C ATOM 843 NE ARG A 56 0.666 10.730 8.112 1.00 0.00 N ATOM 844 CZ ARG A 56 0.441 11.946 8.606 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.344 12.564 9.364 1.00 0.00 N ATOM 846 NH2 ARG A 56 -0.705 12.552 8.331 1.00 0.00 N ATOM 0 H ARG A 56 3.521 11.446 4.765 1.00 0.00 H new ATOM 0 HA ARG A 56 4.138 9.285 6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.775 10.454 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.728 8.858 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.894 8.352 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.601 8.063 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.921 9.433 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.765 10.532 8.129 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.105 10.316 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.230 12.106 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.150 13.495 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.401 12.087 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.891 13.484 8.702 1.00 0.00 H new ATOM 860 N ILE A 57 4.046 8.675 3.225 1.00 0.00 N ATOM 861 CA ILE A 57 4.423 7.630 2.271 1.00 0.00 C ATOM 862 C ILE A 57 5.899 7.231 2.440 1.00 0.00 C ATOM 863 O ILE A 57 6.225 6.050 2.344 1.00 0.00 O ATOM 864 CB ILE A 57 4.016 7.989 0.835 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.204 6.783 -0.104 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.719 9.243 0.305 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.279 6.886 -1.317 1.00 0.00 C ATOM 0 H ILE A 57 3.704 9.540 2.807 1.00 0.00 H new ATOM 0 HA ILE A 57 3.852 6.730 2.499 1.00 0.00 H new ATOM 0 HB ILE A 57 2.955 8.238 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.241 6.734 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.998 5.860 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.388 9.442 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.472 10.094 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.798 9.086 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.431 6.023 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.242 6.911 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.504 7.798 -1.870 1.00 0.00 H new ATOM 879 N ARG A 58 6.804 8.167 2.759 1.00 0.00 N ATOM 880 CA ARG A 58 8.214 7.857 2.989 1.00 0.00 C ATOM 881 C ARG A 58 8.441 7.092 4.292 1.00 0.00 C ATOM 882 O ARG A 58 9.295 6.206 4.335 1.00 0.00 O ATOM 883 CB ARG A 58 9.040 9.154 2.942 1.00 0.00 C ATOM 884 CG ARG A 58 10.361 8.897 2.217 1.00 0.00 C ATOM 885 CD ARG A 58 11.117 10.204 1.963 1.00 0.00 C ATOM 886 NE ARG A 58 12.121 10.033 0.905 1.00 0.00 N ATOM 887 CZ ARG A 58 13.353 9.531 1.017 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.852 9.161 2.189 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.132 9.449 -0.049 1.00 0.00 N ATOM 0 H ARG A 58 6.576 9.156 2.864 1.00 0.00 H new ATOM 0 HA ARG A 58 8.548 7.193 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.479 9.936 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.233 9.511 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.980 8.225 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.167 8.396 1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.413 10.986 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.604 10.532 2.882 1.00 0.00 H new ATOM 0 HE ARG A 58 11.843 10.334 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.291 9.257 3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.797 8.781 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.791 9.769 -0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.073 9.066 0.036 1.00 0.00 H new ATOM 903 N GLU A 59 7.687 7.403 5.346 1.00 0.00 N ATOM 904 CA GLU A 59 7.693 6.615 6.569 1.00 0.00 C ATOM 905 C GLU A 59 7.144 5.220 6.293 1.00 0.00 C ATOM 906 O GLU A 59 7.789 4.233 6.632 1.00 0.00 O ATOM 907 CB GLU A 59 6.882 7.323 7.670 1.00 0.00 C ATOM 908 CG GLU A 59 7.844 7.804 8.756 1.00 0.00 C ATOM 909 CD GLU A 59 7.113 8.183 10.038 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.447 9.243 10.055 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.257 7.480 11.061 1.00 0.00 O ATOM 0 H GLU A 59 7.059 8.206 5.372 1.00 0.00 H new ATOM 0 HA GLU A 59 8.719 6.516 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.333 8.166 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.145 6.641 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.570 7.020 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.404 8.665 8.390 1.00 0.00 H new ATOM 918 N LEU A 60 5.989 5.133 5.629 1.00 0.00 N ATOM 919 CA LEU A 60 5.340 3.888 5.245 1.00 0.00 C ATOM 920 C LEU A 60 6.254 3.066 4.332 1.00 0.00 C ATOM 921 O LEU A 60 6.216 1.844 4.398 1.00 0.00 O ATOM 922 CB LEU A 60 3.953 4.131 4.627 1.00 0.00 C ATOM 923 CG LEU A 60 2.913 4.684 5.629 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.580 4.911 4.909 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.676 3.769 6.841 1.00 0.00 C ATOM 0 H LEU A 60 5.466 5.958 5.336 1.00 0.00 H new ATOM 0 HA LEU A 60 5.167 3.302 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.053 4.831 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.581 3.194 4.211 1.00 0.00 H new ATOM 0 HG LEU A 60 3.322 5.619 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.847 5.301 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.721 5.627 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.222 3.966 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.935 4.222 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.314 2.799 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.611 3.636 7.385 1.00 0.00 H new ATOM 937 N THR A 61 7.130 3.703 3.552 1.00 0.00 N ATOM 938 CA THR A 61 8.192 3.034 2.815 1.00 0.00 C ATOM 939 C THR A 61 9.154 2.378 3.809 1.00 0.00 C ATOM 940 O THR A 61 9.355 1.170 3.731 1.00 0.00 O ATOM 941 CB THR A 61 8.886 4.019 1.852 1.00 0.00 C ATOM 942 OG1 THR A 61 7.959 4.560 0.926 1.00 0.00 O ATOM 943 CG2 THR A 61 10.032 3.359 1.087 1.00 0.00 C ATOM 0 H THR A 61 7.117 4.714 3.416 1.00 0.00 H new ATOM 0 HA THR A 61 7.780 2.243 2.188 1.00 0.00 H new ATOM 0 HB THR A 61 9.297 4.819 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.363 5.187 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.492 4.088 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.777 2.992 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.646 2.525 0.501 1.00 0.00 H new ATOM 951 N ALA A 62 9.737 3.139 4.743 1.00 0.00 N ATOM 952 CA ALA A 62 10.754 2.672 5.689 1.00 0.00 C ATOM 953 C ALA A 62 10.244 1.525 6.562 1.00 0.00 C ATOM 954 O ALA A 62 10.949 0.541 6.809 1.00 0.00 O ATOM 955 CB ALA A 62 11.128 3.841 6.610 1.00 0.00 C ATOM 0 H ALA A 62 9.506 4.125 4.864 1.00 0.00 H new ATOM 0 HA ALA A 62 11.608 2.312 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.885 3.515 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.523 4.663 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.242 4.177 7.149 1.00 0.00 H new ATOM 961 N VAL A 63 9.040 1.683 7.106 1.00 0.00 N ATOM 962 CA VAL A 63 8.398 0.702 7.964 1.00 0.00 C ATOM 963 C VAL A 63 8.172 -0.574 7.143 1.00 0.00 C ATOM 964 O VAL A 63 8.705 -1.602 7.549 1.00 0.00 O ATOM 965 CB VAL A 63 7.174 1.351 8.643 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.071 1.619 7.652 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.569 0.563 9.791 1.00 0.00 C ATOM 0 H VAL A 63 8.474 2.518 6.956 1.00 0.00 H new ATOM 0 HA VAL A 63 9.010 0.378 8.806 1.00 0.00 H new ATOM 0 HB VAL A 63 7.582 2.273 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.225 2.076 8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.434 2.294 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.755 0.680 7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.716 1.107 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.239 -0.411 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.317 0.426 10.572 1.00 0.00 H new ATOM 977 N VAL A 64 7.542 -0.512 5.957 1.00 0.00 N ATOM 978 CA VAL A 64 7.338 -1.663 5.071 1.00 0.00 C ATOM 979 C VAL A 64 8.673 -2.330 4.769 1.00 0.00 C ATOM 980 O VAL A 64 8.785 -3.555 4.847 1.00 0.00 O ATOM 981 CB VAL A 64 6.607 -1.220 3.779 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.805 -2.162 2.578 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.103 -1.081 4.067 1.00 0.00 C ATOM 0 H VAL A 64 7.155 0.355 5.584 1.00 0.00 H new ATOM 0 HA VAL A 64 6.706 -2.398 5.569 1.00 0.00 H new ATOM 0 HB VAL A 64 7.053 -0.267 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.259 -1.775 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.866 -2.225 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.431 -3.155 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.586 -0.769 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.706 -2.040 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.949 -0.335 4.847 1.00 0.00 H new ATOM 993 N GLN A 65 9.682 -1.527 4.432 1.00 0.00 N ATOM 994 CA GLN A 65 11.006 -1.989 4.081 1.00 0.00 C ATOM 995 C GLN A 65 11.527 -2.928 5.174 1.00 0.00 C ATOM 996 O GLN A 65 12.015 -4.009 4.859 1.00 0.00 O ATOM 997 CB GLN A 65 11.927 -0.788 3.812 1.00 0.00 C ATOM 998 CG GLN A 65 12.164 -0.536 2.328 1.00 0.00 C ATOM 999 CD GLN A 65 13.101 0.657 2.098 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.764 1.188 2.991 1.00 0.00 O ATOM 1001 NE2 GLN A 65 13.180 1.099 0.863 1.00 0.00 N ATOM 0 H GLN A 65 9.589 -0.512 4.398 1.00 0.00 H new ATOM 0 HA GLN A 65 10.978 -2.566 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.491 0.104 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.885 -0.956 4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.592 -1.428 1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.211 -0.351 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.630 0.657 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.792 1.884 0.641 1.00 0.00 H new ATOM 1010 N LYS A 66 11.369 -2.574 6.454 1.00 0.00 N ATOM 1011 CA LYS A 66 11.840 -3.416 7.556 1.00 0.00 C ATOM 1012 C LYS A 66 10.842 -4.510 7.928 1.00 0.00 C ATOM 1013 O LYS A 66 11.249 -5.625 8.244 1.00 0.00 O ATOM 1014 CB LYS A 66 12.165 -2.542 8.770 1.00 0.00 C ATOM 1015 CG LYS A 66 13.476 -1.772 8.548 1.00 0.00 C ATOM 1016 CD LYS A 66 13.941 -1.109 9.844 1.00 0.00 C ATOM 1017 CE LYS A 66 15.435 -0.780 9.817 1.00 0.00 C ATOM 1018 NZ LYS A 66 15.817 -0.048 11.038 1.00 0.00 N ATOM 0 H LYS A 66 10.918 -1.709 6.751 1.00 0.00 H new ATOM 0 HA LYS A 66 12.743 -3.924 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.350 -1.840 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.249 -3.165 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.246 -2.453 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.332 -1.014 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.371 -0.194 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.731 -1.770 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.016 -1.699 9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.667 -0.180 8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.833 0.170 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.275 0.837 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.613 -0.634 11.872 1.00 0.00 H new ATOM 1032 N ARG A 67 9.537 -4.229 7.890 1.00 0.00 N ATOM 1033 CA ARG A 67 8.473 -5.184 8.205 1.00 0.00 C ATOM 1034 C ARG A 67 8.639 -6.417 7.335 1.00 0.00 C ATOM 1035 O ARG A 67 8.677 -7.544 7.829 1.00 0.00 O ATOM 1036 CB ARG A 67 7.110 -4.521 7.939 1.00 0.00 C ATOM 1037 CG ARG A 67 5.868 -5.154 8.593 1.00 0.00 C ATOM 1038 CD ARG A 67 5.588 -6.639 8.315 1.00 0.00 C ATOM 1039 NE ARG A 67 6.264 -7.511 9.289 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.965 -7.610 10.589 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.893 -6.994 11.080 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.762 -8.294 11.404 1.00 0.00 N ATOM 0 H ARG A 67 9.183 -3.308 7.633 1.00 0.00 H new ATOM 0 HA ARG A 67 8.527 -5.479 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.171 -3.484 8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.950 -4.504 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.956 -5.026 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.995 -4.584 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.514 -6.819 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.922 -6.890 7.308 1.00 0.00 H new ATOM 0 HE ARG A 67 7.028 -8.091 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.295 -6.443 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.669 -7.073 12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.601 -8.743 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.534 -8.370 12.395 1.00 0.00 H new ATOM 1056 N PHE A 68 8.680 -6.192 6.028 1.00 0.00 N ATOM 1057 CA PHE A 68 8.614 -7.225 5.016 1.00 0.00 C ATOM 1058 C PHE A 68 10.025 -7.658 4.597 1.00 0.00 C ATOM 1059 O PHE A 68 10.175 -8.721 3.994 1.00 0.00 O ATOM 1060 CB PHE A 68 7.702 -6.709 3.893 1.00 0.00 C ATOM 1061 CG PHE A 68 6.262 -6.554 4.353 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.421 -7.681 4.364 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.768 -5.321 4.824 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.099 -7.576 4.821 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.465 -5.230 5.343 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.630 -6.359 5.348 1.00 0.00 C ATOM 0 H PHE A 68 8.763 -5.254 5.636 1.00 0.00 H new ATOM 0 HA PHE A 68 8.167 -8.149 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.074 -5.748 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.741 -7.398 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.795 -8.633 4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.394 -4.442 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.441 -8.430 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.106 -4.291 5.738 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.632 -6.293 5.755 1.00 0.00 H new ATOM 1076 N GLY A 69 11.066 -6.920 5.004 1.00 0.00 N ATOM 1077 CA GLY A 69 12.462 -7.267 4.773 1.00 0.00 C ATOM 1078 C GLY A 69 12.916 -6.884 3.369 1.00 0.00 C ATOM 1079 O GLY A 69 13.860 -7.484 2.856 1.00 0.00 O ATOM 0 H GLY A 69 10.951 -6.045 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.088 -6.762 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.599 -8.338 4.920 1.00 0.00 H new ATOM 1083 N PHE A 70 12.246 -5.924 2.728 1.00 0.00 N ATOM 1084 CA PHE A 70 12.509 -5.561 1.347 1.00 0.00 C ATOM 1085 C PHE A 70 13.927 -4.999 1.173 1.00 0.00 C ATOM 1086 O PHE A 70 14.359 -4.162 1.977 1.00 0.00 O ATOM 1087 CB PHE A 70 11.516 -4.500 0.863 1.00 0.00 C ATOM 1088 CG PHE A 70 10.172 -5.033 0.420 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.084 -5.817 -0.744 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.004 -4.710 1.133 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.838 -6.268 -1.201 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.753 -5.154 0.674 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.674 -5.925 -0.497 1.00 0.00 C ATOM 0 H PHE A 70 11.502 -5.377 3.162 1.00 0.00 H new ATOM 0 HA PHE A 70 12.403 -6.473 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.357 -3.780 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.966 -3.956 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.981 -6.073 -1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.069 -4.120 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.774 -6.877 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.855 -4.903 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.711 -6.256 -0.858 1.00 0.00 H new ATOM 1103 N PRO A 71 14.607 -5.366 0.075 1.00 0.00 N ATOM 1104 CA PRO A 71 15.804 -4.683 -0.376 1.00 0.00 C ATOM 1105 C PRO A 71 15.473 -3.214 -0.673 1.00 0.00 C ATOM 1106 O PRO A 71 14.469 -2.918 -1.331 1.00 0.00 O ATOM 1107 CB PRO A 71 16.313 -5.466 -1.592 1.00 0.00 C ATOM 1108 CG PRO A 71 15.139 -6.337 -2.040 1.00 0.00 C ATOM 1109 CD PRO A 71 14.249 -6.454 -0.819 1.00 0.00 C ATOM 0 HA PRO A 71 16.593 -4.656 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.628 -4.792 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.177 -6.077 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.606 -5.882 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.480 -7.317 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.198 -6.391 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.391 -7.418 -0.330 1.00 0.00 H new ATOM 1117 N GLU A 72 16.280 -2.291 -0.140 1.00 0.00 N ATOM 1118 CA GLU A 72 16.024 -0.856 -0.220 1.00 0.00 C ATOM 1119 C GLU A 72 16.000 -0.427 -1.691 1.00 0.00 C ATOM 1120 O GLU A 72 16.982 -0.645 -2.403 1.00 0.00 O ATOM 1121 CB GLU A 72 17.084 -0.041 0.556 1.00 0.00 C ATOM 1122 CG GLU A 72 16.521 1.344 0.915 1.00 0.00 C ATOM 1123 CD GLU A 72 17.492 2.527 0.852 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.064 2.782 -0.229 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.482 3.351 1.794 1.00 0.00 O ATOM 0 H GLU A 72 17.136 -2.525 0.363 1.00 0.00 H new ATOM 0 HA GLU A 72 15.057 -0.655 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.371 -0.573 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.985 0.069 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.687 1.554 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.114 1.293 1.925 1.00 0.00 H new ATOM 1132 N GLY A 73 14.901 0.173 -2.154 1.00 0.00 N ATOM 1133 CA GLY A 73 14.766 0.695 -3.512 1.00 0.00 C ATOM 1134 C GLY A 73 14.340 -0.342 -4.545 1.00 0.00 C ATOM 1135 O GLY A 73 13.914 0.033 -5.637 1.00 0.00 O ATOM 0 H GLY A 73 14.066 0.311 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.037 1.505 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.719 1.126 -3.819 1.00 0.00 H new ATOM 1139 N SER A 74 14.382 -1.624 -4.190 1.00 0.00 N ATOM 1140 CA SER A 74 13.737 -2.707 -4.915 1.00 0.00 C ATOM 1141 C SER A 74 12.301 -2.936 -4.427 1.00 0.00 C ATOM 1142 O SER A 74 11.708 -3.973 -4.736 1.00 0.00 O ATOM 1143 CB SER A 74 14.579 -3.958 -4.737 1.00 0.00 C ATOM 1144 OG SER A 74 15.726 -3.911 -5.543 1.00 0.00 O ATOM 0 H SER A 74 14.884 -1.944 -3.362 1.00 0.00 H new ATOM 0 HA SER A 74 13.667 -2.449 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.869 -4.060 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.988 -4.838 -4.991 1.00 0.00 H new ATOM 0 HG SER A 74 16.253 -4.726 -5.410 1.00 0.00 H new ATOM 1150 N VAL A 75 11.737 -1.986 -3.687 1.00 0.00 N ATOM 1151 CA VAL A 75 10.314 -1.796 -3.478 1.00 0.00 C ATOM 1152 C VAL A 75 10.041 -0.342 -3.907 1.00 0.00 C ATOM 1153 O VAL A 75 10.963 0.473 -3.887 1.00 0.00 O ATOM 1154 CB VAL A 75 9.950 -2.234 -2.029 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.679 -1.524 -0.866 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.443 -2.169 -1.758 1.00 0.00 C ATOM 0 H VAL A 75 12.296 -1.292 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 75 9.646 -2.419 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 75 10.314 -3.261 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.328 -1.928 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.753 -1.688 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.471 -0.455 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.244 -2.484 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.092 -1.147 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.920 -2.830 -2.450 1.00 0.00 H new ATOM 1166 N GLU A 76 8.822 0.018 -4.286 1.00 0.00 N ATOM 1167 CA GLU A 76 8.363 1.387 -4.529 1.00 0.00 C ATOM 1168 C GLU A 76 6.954 1.447 -3.959 1.00 0.00 C ATOM 1169 O GLU A 76 6.234 0.445 -4.005 1.00 0.00 O ATOM 1170 CB GLU A 76 8.351 1.728 -6.028 1.00 0.00 C ATOM 1171 CG GLU A 76 9.306 2.878 -6.400 1.00 0.00 C ATOM 1172 CD GLU A 76 8.788 4.299 -6.119 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.014 4.516 -5.164 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.177 5.230 -6.872 1.00 0.00 O ATOM 0 H GLU A 76 8.085 -0.670 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 76 9.030 2.111 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.624 0.840 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.337 1.997 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.240 2.739 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.540 2.801 -7.462 1.00 0.00 H new ATOM 1181 N LEU A 77 6.582 2.595 -3.406 1.00 0.00 N ATOM 1182 CA LEU A 77 5.304 2.811 -2.759 1.00 0.00 C ATOM 1183 C LEU A 77 4.630 3.965 -3.490 1.00 0.00 C ATOM 1184 O LEU A 77 5.100 5.101 -3.439 1.00 0.00 O ATOM 1185 CB LEU A 77 5.516 3.094 -1.255 1.00 0.00 C ATOM 1186 CG LEU A 77 4.975 1.958 -0.365 1.00 0.00 C ATOM 1187 CD1 LEU A 77 5.949 0.776 -0.307 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.727 2.459 1.062 1.00 0.00 C ATOM 0 H LEU A 77 7.181 3.421 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 77 4.663 1.931 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.580 3.231 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.021 4.028 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 77 4.037 1.625 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.535 -0.006 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.104 0.382 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.902 1.110 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.345 1.641 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.662 2.824 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.997 3.268 1.042 1.00 0.00 H new ATOM 1200 N TYR A 78 3.532 3.672 -4.176 1.00 0.00 N ATOM 1201 CA TYR A 78 2.704 4.590 -4.934 1.00 0.00 C ATOM 1202 C TYR A 78 1.342 4.714 -4.234 1.00 0.00 C ATOM 1203 O TYR A 78 1.001 3.888 -3.378 1.00 0.00 O ATOM 1204 CB TYR A 78 2.567 4.044 -6.363 1.00 0.00 C ATOM 1205 CG TYR A 78 3.863 3.643 -7.066 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.717 4.640 -7.580 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.205 2.283 -7.255 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.872 4.289 -8.304 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.342 1.934 -7.997 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.182 2.931 -8.535 1.00 0.00 C ATOM 1211 OH TYR A 78 7.276 2.582 -9.266 1.00 0.00 O ATOM 0 H TYR A 78 3.175 2.717 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 78 3.147 5.584 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.911 3.174 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.069 4.799 -6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.483 5.682 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.586 1.509 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.524 5.062 -8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.577 0.892 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 78 7.334 1.605 -9.322 1.00 0.00 H new ATOM 1221 N ALA A 79 0.548 5.729 -4.578 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.731 6.019 -3.933 1.00 0.00 C ATOM 1223 C ALA A 79 -1.746 6.384 -5.014 1.00 0.00 C ATOM 1224 O ALA A 79 -1.582 7.408 -5.683 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.552 7.173 -2.935 1.00 0.00 C ATOM 0 H ALA A 79 0.781 6.383 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.090 5.149 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.506 7.389 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.180 6.890 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.203 8.060 -3.463 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.777 5.562 -5.199 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.895 5.857 -6.086 1.00 0.00 C ATOM 1233 C GLU A 80 -5.101 6.253 -5.254 1.00 0.00 C ATOM 1234 O GLU A 80 -5.268 5.839 -4.100 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.260 4.643 -6.958 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.431 5.077 -8.418 1.00 0.00 C ATOM 1237 CD GLU A 80 -5.146 4.039 -9.284 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -4.460 3.137 -9.812 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -6.372 4.212 -9.496 1.00 0.00 O ATOM 0 H GLU A 80 -2.858 4.660 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.599 6.673 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.480 3.885 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.182 4.188 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.992 6.011 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.449 5.281 -8.845 1.00 0.00 H new ATOM 1246 N LYS A 81 -5.971 7.044 -5.873 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.275 7.323 -5.319 1.00 0.00 C ATOM 1248 C LYS A 81 -8.179 6.165 -5.716 1.00 0.00 C ATOM 1249 O LYS A 81 -8.085 5.659 -6.833 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.776 8.677 -5.837 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.278 8.788 -5.544 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.003 10.072 -5.893 1.00 0.00 C ATOM 1253 CE LYS A 81 -10.060 10.288 -7.408 1.00 0.00 C ATOM 1254 NZ LYS A 81 -10.903 9.302 -8.136 1.00 0.00 N ATOM 0 H LYS A 81 -5.787 7.503 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.255 7.402 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.235 9.491 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.592 8.764 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.777 7.975 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.419 8.610 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.015 10.041 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.498 10.916 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.440 11.290 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.047 10.247 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.985 9.585 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.464 8.361 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.849 9.270 -7.706 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.142 5.850 -4.865 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.186 4.881 -5.149 1.00 0.00 C ATOM 1270 C VAL A 82 -11.317 5.565 -5.899 1.00 0.00 C ATOM 1271 O VAL A 82 -11.666 6.715 -5.619 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.667 4.283 -3.825 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -11.792 3.266 -3.990 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.542 3.609 -3.029 1.00 0.00 C ATOM 0 H VAL A 82 -9.221 6.270 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.809 4.075 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.042 5.147 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.083 2.883 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.650 3.745 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.448 2.441 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.945 3.204 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.112 2.801 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.769 4.342 -2.800 1.00 0.00 H new