USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 446 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 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 20 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -2.79! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -141:sc= 0.958 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -75:sc= 0.191 USER MOD Single : A 36 ASN : amide:sc= -1.19 K(o=-1.2,f=-9.7!) USER MOD Single : A 37 LYS NZ :NH3+ -138:sc= -0.0568 (180deg=-0.351) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 59 ASN : amide:sc= -2.15 K(o=-2.1,f=-8.7!) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.0141 (180deg=-0.782) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 2.952 -6.996 -0.554 1.00 0.00 N ATOM 67 CA ASP A 8 4.188 -6.583 -1.208 1.00 0.00 C ATOM 68 C ASP A 8 4.864 -5.457 -0.432 1.00 0.00 C ATOM 69 O ASP A 8 4.203 -4.535 0.047 1.00 0.00 O ATOM 70 CB ASP A 8 3.905 -6.131 -2.642 1.00 0.00 C ATOM 71 CG ASP A 8 5.074 -6.390 -3.572 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.081 -5.656 -3.479 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.983 -7.327 -4.392 1.00 0.00 O ATOM 0 HA ASP A 8 4.861 -7.440 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.024 -6.652 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.671 -5.066 -2.645 1.00 0.00 H new ATOM 78 N TYR A 9 6.184 -5.539 -0.310 1.00 0.00 N ATOM 79 CA TYR A 9 6.950 -4.530 0.412 1.00 0.00 C ATOM 80 C TYR A 9 7.329 -3.373 -0.507 1.00 0.00 C ATOM 81 O TYR A 9 7.870 -3.582 -1.594 1.00 0.00 O ATOM 82 CB TYR A 9 8.210 -5.150 1.017 1.00 0.00 C ATOM 83 CG TYR A 9 8.013 -5.674 2.421 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.868 -6.380 2.767 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.974 -5.464 3.403 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.684 -6.859 4.049 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.800 -5.941 4.688 1.00 0.00 C ATOM 88 CZ TYR A 9 7.652 -6.638 5.006 1.00 0.00 C ATOM 89 OH TYR A 9 7.473 -7.115 6.284 1.00 0.00 O ATOM 0 H TYR A 9 6.746 -6.294 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 9 6.324 -4.142 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.546 -5.966 0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.004 -4.403 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.108 -6.557 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.873 -4.918 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.786 -7.404 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.557 -5.770 5.439 1.00 0.00 H new ATOM 0 HH TYR A 9 8.248 -6.875 6.834 1.00 0.00 H new ATOM 99 N CYS A 10 7.043 -2.155 -0.063 1.00 0.00 N ATOM 100 CA CYS A 10 7.354 -0.963 -0.846 1.00 0.00 C ATOM 101 C CYS A 10 8.148 0.040 -0.016 1.00 0.00 C ATOM 102 O CYS A 10 7.745 0.407 1.088 1.00 0.00 O ATOM 103 CB CYS A 10 6.067 -0.314 -1.358 1.00 0.00 C ATOM 104 SG CYS A 10 5.042 -1.407 -2.371 1.00 0.00 S ATOM 0 H CYS A 10 6.597 -1.966 0.834 1.00 0.00 H new ATOM 0 HA CYS A 10 7.963 -1.266 -1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.481 0.029 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.326 0.569 -1.942 1.00 0.00 H new ATOM 0 HG CYS A 10 3.976 -0.769 -2.755 1.00 0.00 H new ATOM 110 N LYS A 11 9.281 0.480 -0.554 1.00 0.00 N ATOM 111 CA LYS A 11 10.133 1.441 0.136 1.00 0.00 C ATOM 112 C LYS A 11 9.653 2.868 -0.107 1.00 0.00 C ATOM 113 O LYS A 11 9.426 3.271 -1.248 1.00 0.00 O ATOM 114 CB LYS A 11 11.584 1.293 -0.330 1.00 0.00 C ATOM 115 CG LYS A 11 12.523 2.325 0.270 1.00 0.00 C ATOM 116 CD LYS A 11 13.130 1.835 1.575 1.00 0.00 C ATOM 117 CE LYS A 11 13.692 2.985 2.395 1.00 0.00 C ATOM 118 NZ LYS A 11 15.090 3.316 2.001 1.00 0.00 N ATOM 0 H LYS A 11 9.630 0.186 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 11 10.078 1.236 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.940 0.296 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.618 1.371 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.318 2.551 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.980 3.253 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.372 1.310 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.922 1.117 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.061 3.864 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.665 2.724 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.437 4.105 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.698 2.485 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.112 3.590 0.998 1.00 0.00 H new ATOM 132 N VAL A 12 9.501 3.629 0.972 1.00 0.00 N ATOM 133 CA VAL A 12 9.050 5.012 0.875 1.00 0.00 C ATOM 134 C VAL A 12 10.225 5.959 0.660 1.00 0.00 C ATOM 135 O VAL A 12 11.004 6.217 1.578 1.00 0.00 O ATOM 136 CB VAL A 12 8.283 5.442 2.140 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.838 6.892 2.027 1.00 0.00 C ATOM 138 CG2 VAL A 12 7.091 4.526 2.376 1.00 0.00 C ATOM 0 H VAL A 12 9.684 3.311 1.924 1.00 0.00 H new ATOM 0 HA VAL A 12 8.381 5.067 0.017 1.00 0.00 H new ATOM 0 HB VAL A 12 8.952 5.358 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.298 7.178 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.712 7.533 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.185 7.006 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.560 4.844 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.418 4.576 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.439 3.501 2.504 1.00 0.00 H new ATOM 148 N ILE A 13 10.346 6.475 -0.558 1.00 0.00 N ATOM 149 CA ILE A 13 11.425 7.396 -0.894 1.00 0.00 C ATOM 150 C ILE A 13 10.944 8.842 -0.863 1.00 0.00 C ATOM 151 O ILE A 13 11.710 9.757 -0.559 1.00 0.00 O ATOM 152 CB ILE A 13 12.013 7.092 -2.284 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.911 7.122 -3.345 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.714 5.742 -2.280 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.141 5.824 -3.454 1.00 0.00 C ATOM 0 H ILE A 13 9.710 6.271 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 13 12.202 7.258 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 13 12.748 7.860 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.216 7.929 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.356 7.353 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.124 5.542 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.522 5.754 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.999 4.962 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.376 5.918 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.824 5.017 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.667 5.601 -2.498 1.00 0.00 H new ATOM 167 N PHE A 14 9.668 9.042 -1.177 1.00 0.00 N ATOM 168 CA PHE A 14 9.083 10.378 -1.184 1.00 0.00 C ATOM 169 C PHE A 14 8.155 10.571 0.012 1.00 0.00 C ATOM 170 O PHE A 14 7.185 9.837 0.202 1.00 0.00 O ATOM 171 CB PHE A 14 8.313 10.613 -2.485 1.00 0.00 C ATOM 172 CG PHE A 14 9.192 10.999 -3.640 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.008 12.116 -3.564 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.201 10.245 -4.803 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.818 12.474 -4.625 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.010 10.597 -5.867 1.00 0.00 C ATOM 177 CZ PHE A 14 10.818 11.714 -5.779 1.00 0.00 C ATOM 0 H PHE A 14 9.020 8.296 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 14 9.893 11.104 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.765 9.706 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.573 11.397 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.011 12.714 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.569 9.373 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.450 13.347 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.010 9.999 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.448 11.993 -6.610 1.00 0.00 H new ATOM 187 N PRO A 15 8.458 11.583 0.838 1.00 0.00 N ATOM 188 CA PRO A 15 7.664 11.898 2.029 1.00 0.00 C ATOM 189 C PRO A 15 6.293 12.466 1.679 1.00 0.00 C ATOM 190 O PRO A 15 6.176 13.354 0.834 1.00 0.00 O ATOM 191 CB PRO A 15 8.510 12.950 2.751 1.00 0.00 C ATOM 192 CG PRO A 15 9.326 13.583 1.678 1.00 0.00 C ATOM 193 CD PRO A 15 9.600 12.499 0.672 1.00 0.00 C ATOM 0 HA PRO A 15 7.459 11.011 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.882 13.684 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.143 12.494 3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.791 14.414 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.255 13.986 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.653 12.896 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.548 11.999 0.868 1.00 0.00 H new ATOM 201 N TYR A 16 5.259 11.949 2.333 1.00 0.00 N ATOM 202 CA TYR A 16 3.896 12.404 2.089 1.00 0.00 C ATOM 203 C TYR A 16 3.218 12.819 3.391 1.00 0.00 C ATOM 204 O TYR A 16 3.611 12.385 4.473 1.00 0.00 O ATOM 205 CB TYR A 16 3.083 11.303 1.406 1.00 0.00 C ATOM 206 CG TYR A 16 1.711 11.753 0.956 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.560 12.599 -0.136 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.567 11.333 1.623 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.309 13.013 -0.550 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.688 11.741 1.214 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.812 12.581 0.128 1.00 0.00 C ATOM 212 OH TYR A 16 -2.060 12.991 -0.282 1.00 0.00 O ATOM 0 H TYR A 16 5.339 11.214 3.036 1.00 0.00 H new ATOM 0 HA TYR A 16 3.943 13.273 1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.637 10.937 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.974 10.464 2.094 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.435 12.938 -0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.660 10.677 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.209 13.672 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.567 11.404 1.742 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.621 13.167 0.502 1.00 0.00 H new ATOM 222 N GLU A 17 2.197 13.662 3.277 1.00 0.00 N ATOM 223 CA GLU A 17 1.464 14.137 4.445 1.00 0.00 C ATOM 224 C GLU A 17 -0.034 13.904 4.279 1.00 0.00 C ATOM 225 O GLU A 17 -0.697 14.588 3.499 1.00 0.00 O ATOM 226 CB GLU A 17 1.738 15.624 4.677 1.00 0.00 C ATOM 227 CG GLU A 17 0.950 16.215 5.834 1.00 0.00 C ATOM 228 CD GLU A 17 1.548 17.510 6.347 1.00 0.00 C ATOM 229 OE1 GLU A 17 1.428 18.537 5.646 1.00 0.00 O ATOM 230 OE2 GLU A 17 2.137 17.497 7.448 1.00 0.00 O ATOM 0 H GLU A 17 1.858 14.030 2.388 1.00 0.00 H new ATOM 0 HA GLU A 17 1.808 13.573 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.803 15.764 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.500 16.175 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.077 16.395 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.909 15.491 6.648 1.00 0.00 H new ATOM 237 N ALA A 18 -0.562 12.933 5.017 1.00 0.00 N ATOM 238 CA ALA A 18 -1.982 12.610 4.953 1.00 0.00 C ATOM 239 C ALA A 18 -2.836 13.812 5.340 1.00 0.00 C ATOM 240 O ALA A 18 -2.792 14.276 6.479 1.00 0.00 O ATOM 241 CB ALA A 18 -2.295 11.426 5.856 1.00 0.00 C ATOM 0 H ALA A 18 -0.027 12.356 5.666 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.222 12.342 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.359 11.196 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.718 10.559 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.033 11.673 6.885 1.00 0.00 H new ATOM 247 N GLN A 19 -3.612 14.313 4.384 1.00 0.00 N ATOM 248 CA GLN A 19 -4.476 15.463 4.625 1.00 0.00 C ATOM 249 C GLN A 19 -5.664 15.077 5.500 1.00 0.00 C ATOM 250 O GLN A 19 -6.132 15.873 6.314 1.00 0.00 O ATOM 251 CB GLN A 19 -4.971 16.042 3.299 1.00 0.00 C ATOM 252 CG GLN A 19 -5.814 15.072 2.488 1.00 0.00 C ATOM 253 CD GLN A 19 -6.758 15.776 1.533 1.00 0.00 C ATOM 254 OE1 GLN A 19 -7.971 15.571 1.576 1.00 0.00 O ATOM 255 NE2 GLN A 19 -6.204 16.612 0.662 1.00 0.00 N ATOM 0 H GLN A 19 -3.660 13.941 3.436 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.893 16.220 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.557 16.939 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.112 16.349 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.157 14.411 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.391 14.444 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.194 16.752 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.789 17.114 -0.006 1.00 0.00 H new ATOM 264 N ASN A 20 -6.147 13.852 5.327 1.00 0.00 N ATOM 265 CA ASN A 20 -7.282 13.361 6.101 1.00 0.00 C ATOM 266 C ASN A 20 -7.018 11.950 6.619 1.00 0.00 C ATOM 267 O ASN A 20 -6.081 11.282 6.181 1.00 0.00 O ATOM 268 CB ASN A 20 -8.552 13.374 5.248 1.00 0.00 C ATOM 269 CG ASN A 20 -9.215 14.737 5.219 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.578 15.691 4.548 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 -10.287 14.931 5.792 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.771 13.180 4.658 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.420 14.023 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.306 13.071 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.256 12.639 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.741 14.169 6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.721 15.854 5.763 1.00 0.00 H new ATOM 278 N ASP A 21 -7.850 11.504 7.553 1.00 0.00 N ATOM 279 CA ASP A 21 -7.708 10.172 8.130 1.00 0.00 C ATOM 280 C ASP A 21 -7.528 9.123 7.038 1.00 0.00 C ATOM 281 O ASP A 21 -6.554 8.370 7.041 1.00 0.00 O ATOM 282 CB ASP A 21 -8.930 9.831 8.985 1.00 0.00 C ATOM 283 CG ASP A 21 -8.776 8.510 9.714 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.858 7.455 9.053 1.00 0.00 O ATOM 285 OD2 ASP A 21 -8.573 8.533 10.947 1.00 0.00 O ATOM 0 H ASP A 21 -8.630 12.045 7.927 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.819 10.169 8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.095 10.627 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.815 9.791 8.350 1.00 0.00 H new ATOM 290 N ASP A 22 -8.473 9.079 6.105 1.00 0.00 N ATOM 291 CA ASP A 22 -8.418 8.122 5.006 1.00 0.00 C ATOM 292 C ASP A 22 -6.993 7.977 4.482 1.00 0.00 C ATOM 293 O ASP A 22 -6.516 6.866 4.254 1.00 0.00 O ATOM 294 CB ASP A 22 -9.349 8.560 3.873 1.00 0.00 C ATOM 295 CG ASP A 22 -10.804 8.584 4.297 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.071 8.818 5.494 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.677 8.369 3.430 1.00 0.00 O ATOM 0 H ASP A 22 -9.286 9.695 6.088 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.747 7.154 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.057 9.552 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.231 7.883 3.027 1.00 0.00 H new ATOM 302 N GLU A 23 -6.319 9.107 4.293 1.00 0.00 N ATOM 303 CA GLU A 23 -4.949 9.105 3.794 1.00 0.00 C ATOM 304 C GLU A 23 -3.980 8.614 4.866 1.00 0.00 C ATOM 305 O GLU A 23 -4.210 8.805 6.061 1.00 0.00 O ATOM 306 CB GLU A 23 -4.548 10.507 3.332 1.00 0.00 C ATOM 307 CG GLU A 23 -5.410 11.046 2.203 1.00 0.00 C ATOM 308 CD GLU A 23 -4.681 12.063 1.346 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.766 12.732 1.869 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.027 12.188 0.153 1.00 0.00 O ATOM 0 H GLU A 23 -6.699 10.035 4.478 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.900 8.423 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.606 11.190 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.508 10.490 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.740 10.218 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.306 11.505 2.622 1.00 0.00 H new ATOM 317 N LEU A 24 -2.897 7.981 4.431 1.00 0.00 N ATOM 318 CA LEU A 24 -1.892 7.461 5.353 1.00 0.00 C ATOM 319 C LEU A 24 -0.621 8.303 5.303 1.00 0.00 C ATOM 320 O LEU A 24 -0.190 8.736 4.233 1.00 0.00 O ATOM 321 CB LEU A 24 -1.567 6.005 5.016 1.00 0.00 C ATOM 322 CG LEU A 24 -0.370 5.398 5.749 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.805 4.804 7.080 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.303 4.341 4.886 1.00 0.00 C ATOM 0 H LEU A 24 -2.691 7.815 3.446 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.300 7.511 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.446 5.398 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.386 5.933 3.944 1.00 0.00 H new ATOM 0 HG LEU A 24 0.352 6.191 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.060 4.377 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.241 5.586 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.546 4.024 6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.153 3.920 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.411 3.549 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.650 4.796 3.958 1.00 0.00 H new ATOM 336 N THR A 25 -0.022 8.530 6.468 1.00 0.00 N ATOM 337 CA THR A 25 1.201 9.319 6.558 1.00 0.00 C ATOM 338 C THR A 25 2.436 8.427 6.492 1.00 0.00 C ATOM 339 O THR A 25 2.482 7.369 7.119 1.00 0.00 O ATOM 340 CB THR A 25 1.244 10.142 7.859 1.00 0.00 C ATOM 341 OG1 THR A 25 0.086 10.978 7.948 1.00 0.00 O ATOM 342 CG2 THR A 25 2.500 10.998 7.916 1.00 0.00 C ATOM 0 H THR A 25 -0.364 8.179 7.362 1.00 0.00 H new ATOM 0 HA THR A 25 1.202 10.000 5.707 1.00 0.00 H new ATOM 0 HB THR A 25 1.257 9.450 8.701 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.120 11.497 8.779 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.508 11.570 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.380 10.356 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.513 11.682 7.068 1.00 0.00 H new ATOM 350 N ILE A 26 3.434 8.862 5.731 1.00 0.00 N ATOM 351 CA ILE A 26 4.670 8.104 5.586 1.00 0.00 C ATOM 352 C ILE A 26 5.878 9.031 5.504 1.00 0.00 C ATOM 353 O ILE A 26 5.772 10.168 5.042 1.00 0.00 O ATOM 354 CB ILE A 26 4.638 7.210 4.332 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.408 8.058 3.080 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.556 6.149 4.466 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.341 7.247 1.804 1.00 0.00 C ATOM 0 H ILE A 26 3.411 9.736 5.205 1.00 0.00 H new ATOM 0 HA ILE A 26 4.758 7.473 6.471 1.00 0.00 H new ATOM 0 HB ILE A 26 5.601 6.709 4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.479 8.617 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.211 8.790 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.546 5.525 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.760 5.529 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.586 6.632 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.176 7.914 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.279 6.709 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.520 6.533 1.869 1.00 0.00 H new ATOM 369 N LYS A 27 7.026 8.539 5.955 1.00 0.00 N ATOM 370 CA LYS A 27 8.257 9.321 5.931 1.00 0.00 C ATOM 371 C LYS A 27 9.313 8.647 5.061 1.00 0.00 C ATOM 372 O LYS A 27 9.218 7.456 4.765 1.00 0.00 O ATOM 373 CB LYS A 27 8.794 9.508 7.351 1.00 0.00 C ATOM 374 CG LYS A 27 7.815 10.197 8.286 1.00 0.00 C ATOM 375 CD LYS A 27 6.821 9.212 8.878 1.00 0.00 C ATOM 376 CE LYS A 27 6.368 9.642 10.264 1.00 0.00 C ATOM 377 NZ LYS A 27 5.477 10.834 10.212 1.00 0.00 N ATOM 0 H LYS A 27 7.130 7.601 6.342 1.00 0.00 H new ATOM 0 HA LYS A 27 8.029 10.298 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.053 8.533 7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.714 10.091 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.363 10.689 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.278 10.975 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.955 9.128 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.276 8.223 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.843 8.817 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.240 9.867 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.190 11.095 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.986 11.629 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.632 10.611 9.648 1.00 0.00 H new ATOM 391 N GLU A 28 10.319 9.416 4.657 1.00 0.00 N ATOM 392 CA GLU A 28 11.393 8.892 3.821 1.00 0.00 C ATOM 393 C GLU A 28 12.272 7.925 4.609 1.00 0.00 C ATOM 394 O GLU A 28 12.998 8.328 5.517 1.00 0.00 O ATOM 395 CB GLU A 28 12.244 10.036 3.267 1.00 0.00 C ATOM 396 CG GLU A 28 13.309 9.582 2.283 1.00 0.00 C ATOM 397 CD GLU A 28 14.526 10.486 2.282 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.488 11.530 1.598 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.516 10.149 2.965 1.00 0.00 O ATOM 0 H GLU A 28 10.413 10.403 4.895 1.00 0.00 H new ATOM 0 HA GLU A 28 10.941 8.351 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.592 10.758 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.725 10.554 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.616 8.566 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.883 9.552 1.280 1.00 0.00 H new ATOM 406 N GLY A 29 12.200 6.645 4.255 1.00 0.00 N ATOM 407 CA GLY A 29 12.993 5.640 4.938 1.00 0.00 C ATOM 408 C GLY A 29 12.140 4.658 5.715 1.00 0.00 C ATOM 409 O GLY A 29 12.497 4.255 6.822 1.00 0.00 O ATOM 0 H GLY A 29 11.606 6.287 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.593 5.097 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.688 6.131 5.619 1.00 0.00 H new ATOM 413 N ASP A 30 11.008 4.272 5.135 1.00 0.00 N ATOM 414 CA ASP A 30 10.101 3.331 5.781 1.00 0.00 C ATOM 415 C ASP A 30 9.362 2.490 4.744 1.00 0.00 C ATOM 416 O ASP A 30 8.838 3.018 3.762 1.00 0.00 O ATOM 417 CB ASP A 30 9.096 4.079 6.658 1.00 0.00 C ATOM 418 CG ASP A 30 9.675 4.456 8.008 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.105 3.544 8.745 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.698 5.663 8.326 1.00 0.00 O ATOM 0 H ASP A 30 10.697 4.596 4.219 1.00 0.00 H new ATOM 0 HA ASP A 30 10.694 2.665 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.768 4.981 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.213 3.457 6.805 1.00 0.00 H new ATOM 425 N ILE A 31 9.326 1.181 4.968 1.00 0.00 N ATOM 426 CA ILE A 31 8.652 0.268 4.053 1.00 0.00 C ATOM 427 C ILE A 31 7.223 -0.009 4.507 1.00 0.00 C ATOM 428 O ILE A 31 6.980 -0.329 5.671 1.00 0.00 O ATOM 429 CB ILE A 31 9.408 -1.068 3.932 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.795 -0.841 3.325 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.611 -2.053 3.091 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.846 -0.462 4.345 1.00 0.00 C ATOM 0 H ILE A 31 9.756 0.729 5.775 1.00 0.00 H new ATOM 0 HA ILE A 31 8.633 0.755 3.078 1.00 0.00 H new ATOM 0 HB ILE A 31 9.533 -1.490 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.110 -1.749 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.729 -0.054 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.158 -2.992 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.644 -2.234 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.458 -1.640 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.803 -0.317 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.553 0.462 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.940 -1.258 5.084 1.00 0.00 H new ATOM 444 N VAL A 32 6.279 0.113 3.579 1.00 0.00 N ATOM 445 CA VAL A 32 4.873 -0.127 3.883 1.00 0.00 C ATOM 446 C VAL A 32 4.375 -1.400 3.208 1.00 0.00 C ATOM 447 O VAL A 32 4.543 -1.583 2.002 1.00 0.00 O ATOM 448 CB VAL A 32 3.992 1.056 3.437 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.527 0.770 3.728 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.440 2.339 4.120 1.00 0.00 C ATOM 0 H VAL A 32 6.462 0.377 2.611 1.00 0.00 H new ATOM 0 HA VAL A 32 4.797 -0.239 4.965 1.00 0.00 H new ATOM 0 HB VAL A 32 4.104 1.186 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.920 1.616 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.217 -0.125 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.393 0.613 4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.807 3.165 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.358 2.224 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.476 2.549 3.855 1.00 0.00 H new ATOM 460 N THR A 33 3.760 -2.279 3.994 1.00 0.00 N ATOM 461 CA THR A 33 3.238 -3.535 3.473 1.00 0.00 C ATOM 462 C THR A 33 1.946 -3.313 2.694 1.00 0.00 C ATOM 463 O THR A 33 0.916 -2.959 3.268 1.00 0.00 O ATOM 464 CB THR A 33 2.974 -4.546 4.605 1.00 0.00 C ATOM 465 OG1 THR A 33 4.188 -4.813 5.316 1.00 0.00 O ATOM 466 CG2 THR A 33 2.409 -5.845 4.050 1.00 0.00 C ATOM 0 H THR A 33 3.612 -2.143 4.994 1.00 0.00 H new ATOM 0 HA THR A 33 3.997 -3.939 2.804 1.00 0.00 H new ATOM 0 HB THR A 33 2.242 -4.112 5.286 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.760 -5.399 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.231 -6.543 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.470 -5.643 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.121 -6.281 3.349 1.00 0.00 H new ATOM 474 N LEU A 34 2.007 -3.524 1.384 1.00 0.00 N ATOM 475 CA LEU A 34 0.841 -3.348 0.525 1.00 0.00 C ATOM 476 C LEU A 34 -0.304 -4.251 0.970 1.00 0.00 C ATOM 477 O LEU A 34 -0.259 -5.467 0.779 1.00 0.00 O ATOM 478 CB LEU A 34 1.205 -3.646 -0.930 1.00 0.00 C ATOM 479 CG LEU A 34 0.436 -2.856 -1.990 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.777 -1.377 -1.905 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.736 -3.396 -3.380 1.00 0.00 C ATOM 0 H LEU A 34 2.852 -3.817 0.893 1.00 0.00 H new ATOM 0 HA LEU A 34 0.514 -2.311 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.270 -3.454 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.047 -4.709 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.631 -2.973 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.221 -0.831 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.509 -0.998 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.846 -1.240 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.180 -2.822 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.804 -3.310 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.439 -4.443 -3.435 1.00 0.00 H new ATOM 493 N ILE A 35 -1.330 -3.649 1.562 1.00 0.00 N ATOM 494 CA ILE A 35 -2.489 -4.399 2.031 1.00 0.00 C ATOM 495 C ILE A 35 -3.353 -4.862 0.863 1.00 0.00 C ATOM 496 O ILE A 35 -3.574 -6.057 0.676 1.00 0.00 O ATOM 497 CB ILE A 35 -3.351 -3.561 2.993 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.534 -3.153 4.220 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.590 -4.340 3.409 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.005 -4.328 5.012 1.00 0.00 C ATOM 0 H ILE A 35 -1.382 -2.644 1.728 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.107 -5.269 2.565 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.671 -2.656 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.696 -2.535 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.154 -2.536 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.189 -3.734 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.180 -4.585 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.290 -5.260 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.436 -3.964 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.839 -4.935 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.358 -4.933 4.377 1.00 0.00 H new ATOM 512 N ASN A 36 -3.839 -3.905 0.078 1.00 0.00 N ATOM 513 CA ASN A 36 -4.679 -4.214 -1.073 1.00 0.00 C ATOM 514 C ASN A 36 -4.406 -3.246 -2.221 1.00 0.00 C ATOM 515 O ASN A 36 -4.135 -2.065 -2.001 1.00 0.00 O ATOM 516 CB ASN A 36 -6.157 -4.156 -0.683 1.00 0.00 C ATOM 517 CG ASN A 36 -7.052 -4.833 -1.704 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.681 -4.983 -2.868 1.00 0.00 O ATOM 519 ND2 ASN A 36 -8.237 -5.245 -1.270 1.00 0.00 N ATOM 0 H ASN A 36 -3.665 -2.910 0.218 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.438 -5.223 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.293 -4.633 0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.460 -3.115 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.882 -5.707 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.502 -5.099 -0.296 1.00 0.00 H new ATOM 526 N LYS A 37 -4.481 -3.754 -3.446 1.00 0.00 N ATOM 527 CA LYS A 37 -4.245 -2.935 -4.630 1.00 0.00 C ATOM 528 C LYS A 37 -5.380 -1.937 -4.837 1.00 0.00 C ATOM 529 O LYS A 37 -6.448 -2.066 -4.239 1.00 0.00 O ATOM 530 CB LYS A 37 -4.100 -3.823 -5.868 1.00 0.00 C ATOM 531 CG LYS A 37 -2.847 -4.681 -5.858 1.00 0.00 C ATOM 532 CD LYS A 37 -2.347 -4.954 -7.267 1.00 0.00 C ATOM 533 CE LYS A 37 -0.836 -5.131 -7.298 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.123 -3.856 -7.011 1.00 0.00 N ATOM 0 H LYS A 37 -4.703 -4.729 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.320 -2.379 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.973 -4.471 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.092 -3.193 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.067 -4.180 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.056 -5.626 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.828 -5.851 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.631 -4.130 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.543 -5.884 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.534 -5.504 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.686 -3.758 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.774 -3.056 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.217 -3.862 -6.028 1.00 0.00 H new ATOM 548 N ASP A 38 -5.141 -0.945 -5.687 1.00 0.00 N ATOM 549 CA ASP A 38 -6.144 0.074 -5.974 1.00 0.00 C ATOM 550 C ASP A 38 -6.935 -0.282 -7.229 1.00 0.00 C ATOM 551 O ASP A 38 -6.502 -1.106 -8.035 1.00 0.00 O ATOM 552 CB ASP A 38 -5.479 1.441 -6.145 1.00 0.00 C ATOM 553 CG ASP A 38 -6.474 2.582 -6.066 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.100 2.751 -4.998 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.627 3.306 -7.071 1.00 0.00 O ATOM 0 H ASP A 38 -4.262 -0.825 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.834 0.118 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.719 1.571 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.967 1.475 -7.107 1.00 0.00 H new ATOM 560 N CYS A 39 -8.095 0.345 -7.388 1.00 0.00 N ATOM 561 CA CYS A 39 -8.948 0.093 -8.544 1.00 0.00 C ATOM 562 C CYS A 39 -8.162 0.242 -9.842 1.00 0.00 C ATOM 563 O CYS A 39 -7.073 0.818 -9.858 1.00 0.00 O ATOM 564 CB CYS A 39 -10.140 1.051 -8.543 1.00 0.00 C ATOM 565 SG CYS A 39 -11.475 0.568 -7.424 1.00 0.00 S ATOM 0 H CYS A 39 -8.466 1.031 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.314 -0.931 -8.478 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.792 2.047 -8.268 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.537 1.121 -9.556 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.436 1.441 -7.492 1.00 0.00 H new ATOM 571 N ILE A 40 -8.719 -0.282 -10.929 1.00 0.00 N ATOM 572 CA ILE A 40 -8.069 -0.208 -12.231 1.00 0.00 C ATOM 573 C ILE A 40 -7.258 1.076 -12.369 1.00 0.00 C ATOM 574 O ILE A 40 -6.242 1.109 -13.064 1.00 0.00 O ATOM 575 CB ILE A 40 -9.095 -0.279 -13.377 1.00 0.00 C ATOM 576 CG1 ILE A 40 -9.849 -1.609 -13.335 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.403 -0.098 -14.720 1.00 0.00 C ATOM 578 CD1 ILE A 40 -11.158 -1.587 -14.092 1.00 0.00 C ATOM 0 H ILE A 40 -9.619 -0.762 -10.933 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.400 -1.066 -12.299 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.815 0.529 -13.250 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.213 -2.391 -13.749 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.044 -1.874 -12.296 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.142 -0.151 -15.520 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.908 0.873 -14.746 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.663 -0.886 -14.857 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.637 -2.563 -14.019 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -11.813 -0.828 -13.664 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.969 -1.354 -15.140 1.00 0.00 H new ATOM 590 N ASP A 41 -7.712 2.130 -11.700 1.00 0.00 N ATOM 591 CA ASP A 41 -7.027 3.417 -11.745 1.00 0.00 C ATOM 592 C ASP A 41 -5.688 3.345 -11.016 1.00 0.00 C ATOM 593 O ASP A 41 -5.627 2.973 -9.844 1.00 0.00 O ATOM 594 CB ASP A 41 -7.902 4.506 -11.124 1.00 0.00 C ATOM 595 CG ASP A 41 -9.215 4.684 -11.861 1.00 0.00 C ATOM 596 OD1 ASP A 41 -10.095 3.808 -11.726 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.363 5.700 -12.572 1.00 0.00 O ATOM 0 H ASP A 41 -8.551 2.119 -11.120 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.839 3.665 -12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.104 4.256 -10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.357 5.450 -11.125 1.00 0.00 H new ATOM 602 N VAL A 42 -4.618 3.703 -11.719 1.00 0.00 N ATOM 603 CA VAL A 42 -3.280 3.680 -11.139 1.00 0.00 C ATOM 604 C VAL A 42 -2.935 5.020 -10.500 1.00 0.00 C ATOM 605 O VAL A 42 -3.441 6.064 -10.909 1.00 0.00 O ATOM 606 CB VAL A 42 -2.215 3.339 -12.198 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.832 3.289 -11.568 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.547 2.021 -12.882 1.00 0.00 C ATOM 0 H VAL A 42 -4.652 4.012 -12.690 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.281 2.905 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.215 4.124 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.093 3.047 -12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.597 4.259 -11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.814 2.525 -10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.784 1.796 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.576 1.223 -12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.519 2.099 -13.370 1.00 0.00 H new ATOM 618 N GLY A 43 -2.068 4.983 -9.492 1.00 0.00 N ATOM 619 CA GLY A 43 -1.669 6.201 -8.812 1.00 0.00 C ATOM 620 C GLY A 43 -1.991 6.171 -7.332 1.00 0.00 C ATOM 621 O GLY A 43 -1.480 6.985 -6.562 1.00 0.00 O ATOM 0 H GLY A 43 -1.635 4.131 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.598 6.353 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.171 7.052 -9.273 1.00 0.00 H new ATOM 625 N TRP A 44 -2.843 5.233 -6.933 1.00 0.00 N ATOM 626 CA TRP A 44 -3.234 5.102 -5.534 1.00 0.00 C ATOM 627 C TRP A 44 -2.998 3.682 -5.033 1.00 0.00 C ATOM 628 O TRP A 44 -2.967 2.734 -5.819 1.00 0.00 O ATOM 629 CB TRP A 44 -4.706 5.480 -5.357 1.00 0.00 C ATOM 630 CG TRP A 44 -5.048 6.822 -5.932 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.614 7.072 -7.149 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.843 8.096 -5.313 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.773 8.425 -7.324 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.309 9.076 -6.212 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.314 8.506 -4.086 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.260 10.436 -5.921 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.265 9.857 -3.799 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.736 10.809 -4.713 1.00 0.00 C ATOM 0 H TRP A 44 -3.276 4.553 -7.558 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.618 5.782 -4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.328 4.721 -5.830 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.950 5.475 -4.295 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.895 6.317 -7.868 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.172 8.873 -8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.950 7.780 -3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.623 11.171 -6.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.857 10.185 -2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.684 11.857 -4.459 1.00 0.00 H new ATOM 649 N TRP A 45 -2.833 3.541 -3.723 1.00 0.00 N ATOM 650 CA TRP A 45 -2.600 2.234 -3.118 1.00 0.00 C ATOM 651 C TRP A 45 -2.831 2.282 -1.612 1.00 0.00 C ATOM 652 O TRP A 45 -2.691 3.333 -0.988 1.00 0.00 O ATOM 653 CB TRP A 45 -1.176 1.760 -3.413 1.00 0.00 C ATOM 654 CG TRP A 45 -1.043 1.063 -4.734 1.00 0.00 C ATOM 655 CD1 TRP A 45 -2.041 0.462 -5.447 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.156 0.895 -5.497 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.534 -0.070 -6.608 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.189 0.182 -6.663 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.487 1.278 -5.311 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.751 -0.154 -7.634 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.418 0.943 -6.276 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.046 0.234 -7.426 1.00 0.00 C ATOM 0 H TRP A 45 -2.856 4.315 -3.059 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.308 1.529 -3.553 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.504 2.618 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.854 1.085 -2.620 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.076 0.412 -5.143 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.072 -0.571 -7.315 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.783 1.826 -4.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.467 -0.702 -8.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.450 1.233 -6.141 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.797 -0.011 -8.163 1.00 0.00 H new ATOM 673 N GLU A 46 -3.186 1.138 -1.035 1.00 0.00 N ATOM 674 CA GLU A 46 -3.437 1.052 0.398 1.00 0.00 C ATOM 675 C GLU A 46 -2.394 0.173 1.082 1.00 0.00 C ATOM 676 O GLU A 46 -2.150 -0.958 0.664 1.00 0.00 O ATOM 677 CB GLU A 46 -4.839 0.497 0.661 1.00 0.00 C ATOM 678 CG GLU A 46 -5.474 1.025 1.936 1.00 0.00 C ATOM 679 CD GLU A 46 -6.743 0.282 2.307 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.466 -0.154 1.388 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.012 0.137 3.518 1.00 0.00 O ATOM 0 H GLU A 46 -3.306 0.259 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.368 2.057 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.482 0.743 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.786 -0.590 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.758 0.945 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.700 2.084 1.813 1.00 0.00 H new ATOM 688 N GLY A 47 -1.780 0.703 2.135 1.00 0.00 N ATOM 689 CA GLY A 47 -0.770 -0.046 2.860 1.00 0.00 C ATOM 690 C GLY A 47 -0.878 0.136 4.360 1.00 0.00 C ATOM 691 O GLY A 47 -1.543 1.056 4.834 1.00 0.00 O ATOM 0 H GLY A 47 -1.964 1.638 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.864 -1.105 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.219 0.270 2.529 1.00 0.00 H new ATOM 695 N GLU A 48 -0.224 -0.746 5.111 1.00 0.00 N ATOM 696 CA GLU A 48 -0.253 -0.679 6.567 1.00 0.00 C ATOM 697 C GLU A 48 1.082 -0.184 7.115 1.00 0.00 C ATOM 698 O GLU A 48 2.141 -0.716 6.778 1.00 0.00 O ATOM 699 CB GLU A 48 -0.581 -2.052 7.156 1.00 0.00 C ATOM 700 CG GLU A 48 -1.288 -1.985 8.500 1.00 0.00 C ATOM 701 CD GLU A 48 -1.562 -3.357 9.084 1.00 0.00 C ATOM 702 OE1 GLU A 48 -0.611 -4.159 9.190 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.730 -3.629 9.435 1.00 0.00 O ATOM 0 H GLU A 48 0.332 -1.514 4.735 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.030 0.028 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.208 -2.600 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.343 -2.620 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.678 -1.412 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.230 -1.449 8.385 1.00 0.00 H new ATOM 710 N LEU A 49 1.025 0.838 7.962 1.00 0.00 N ATOM 711 CA LEU A 49 2.229 1.407 8.558 1.00 0.00 C ATOM 712 C LEU A 49 1.968 1.851 9.993 1.00 0.00 C ATOM 713 O LEU A 49 1.161 2.746 10.239 1.00 0.00 O ATOM 714 CB LEU A 49 2.722 2.592 7.726 1.00 0.00 C ATOM 715 CG LEU A 49 4.066 3.191 8.142 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.204 2.245 7.791 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.274 4.546 7.481 1.00 0.00 C ATOM 0 H LEU A 49 0.158 1.290 8.252 1.00 0.00 H new ATOM 0 HA LEU A 49 2.999 0.635 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.795 2.275 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.968 3.378 7.768 1.00 0.00 H new ATOM 0 HG LEU A 49 4.059 3.333 9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.152 2.688 8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.063 1.298 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.213 2.070 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.235 4.957 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.260 4.428 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.476 5.224 7.783 1.00 0.00 H new ATOM 729 N ASN A 50 2.660 1.221 10.937 1.00 0.00 N ATOM 730 CA ASN A 50 2.504 1.552 12.349 1.00 0.00 C ATOM 731 C ASN A 50 1.060 1.355 12.798 1.00 0.00 C ATOM 732 O ASN A 50 0.525 2.148 13.572 1.00 0.00 O ATOM 733 CB ASN A 50 2.936 2.998 12.605 1.00 0.00 C ATOM 734 CG ASN A 50 4.435 3.186 12.466 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.222 2.429 13.034 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.835 4.201 11.709 1.00 0.00 N ATOM 0 H ASN A 50 3.334 0.479 10.750 1.00 0.00 H new ATOM 0 HA ASN A 50 3.140 0.881 12.926 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.423 3.657 11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.626 3.295 13.607 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.831 4.379 11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.146 4.803 11.257 1.00 0.00 H new ATOM 743 N GLY A 51 0.433 0.290 12.307 1.00 0.00 N ATOM 744 CA GLY A 51 -0.943 0.006 12.669 1.00 0.00 C ATOM 745 C GLY A 51 -1.911 1.033 12.117 1.00 0.00 C ATOM 746 O GLY A 51 -2.765 1.544 12.842 1.00 0.00 O ATOM 0 H GLY A 51 0.854 -0.381 11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.216 -0.982 12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.031 -0.025 13.755 1.00 0.00 H new ATOM 750 N ARG A 52 -1.779 1.337 10.830 1.00 0.00 N ATOM 751 CA ARG A 52 -2.647 2.312 10.182 1.00 0.00 C ATOM 752 C ARG A 52 -2.971 1.887 8.753 1.00 0.00 C ATOM 753 O ARG A 52 -2.072 1.597 7.963 1.00 0.00 O ATOM 754 CB ARG A 52 -1.987 3.692 10.178 1.00 0.00 C ATOM 755 CG ARG A 52 -1.619 4.196 11.564 1.00 0.00 C ATOM 756 CD ARG A 52 -1.186 5.653 11.531 1.00 0.00 C ATOM 757 NE ARG A 52 -2.321 6.558 11.373 1.00 0.00 N ATOM 758 CZ ARG A 52 -2.308 7.828 11.762 1.00 0.00 C ATOM 759 NH1 ARG A 52 -1.225 8.340 12.329 1.00 0.00 N ATOM 760 NH2 ARG A 52 -3.381 8.589 11.584 1.00 0.00 N ATOM 0 H ARG A 52 -1.079 0.922 10.215 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.578 2.364 10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.087 3.653 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.663 4.407 9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.473 4.084 12.231 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.814 3.585 11.972 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.655 5.894 12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.485 5.804 10.710 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.170 6.195 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.399 7.758 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.218 9.316 12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.217 8.199 11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.370 9.564 11.883 1.00 0.00 H new ATOM 774 N ARG A 53 -4.259 1.853 8.428 1.00 0.00 N ATOM 775 CA ARG A 53 -4.701 1.461 7.095 1.00 0.00 C ATOM 776 C ARG A 53 -5.258 2.660 6.333 1.00 0.00 C ATOM 777 O ARG A 53 -6.346 3.148 6.633 1.00 0.00 O ATOM 778 CB ARG A 53 -5.764 0.365 7.189 1.00 0.00 C ATOM 779 CG ARG A 53 -5.185 -1.034 7.330 1.00 0.00 C ATOM 780 CD ARG A 53 -6.210 -2.007 7.891 1.00 0.00 C ATOM 781 NE ARG A 53 -7.175 -2.430 6.880 1.00 0.00 N ATOM 782 CZ ARG A 53 -8.396 -2.866 7.166 1.00 0.00 C ATOM 783 NH1 ARG A 53 -8.800 -2.935 8.427 1.00 0.00 N ATOM 784 NH2 ARG A 53 -9.217 -3.234 6.190 1.00 0.00 N ATOM 0 H ARG A 53 -5.015 2.092 9.070 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.838 1.075 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.410 0.569 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.391 0.402 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.841 -1.386 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.314 -1.004 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.698 -2.882 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.738 -1.538 8.722 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.896 -2.388 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.172 -2.653 9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.739 -3.270 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.910 -3.182 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.155 -3.569 6.411 1.00 0.00 H new ATOM 798 N GLY A 54 -4.501 3.131 5.346 1.00 0.00 N ATOM 799 CA GLY A 54 -4.935 4.269 4.557 1.00 0.00 C ATOM 800 C GLY A 54 -4.362 4.254 3.154 1.00 0.00 C ATOM 801 O GLY A 54 -3.418 3.516 2.869 1.00 0.00 O ATOM 0 H GLY A 54 -3.595 2.745 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.024 4.275 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.637 5.190 5.058 1.00 0.00 H new ATOM 805 N VAL A 55 -4.933 5.069 2.274 1.00 0.00 N ATOM 806 CA VAL A 55 -4.474 5.147 0.892 1.00 0.00 C ATOM 807 C VAL A 55 -3.276 6.082 0.763 1.00 0.00 C ATOM 808 O VAL A 55 -2.978 6.855 1.673 1.00 0.00 O ATOM 809 CB VAL A 55 -5.595 5.633 -0.046 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.753 4.648 -0.050 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.066 7.021 0.363 1.00 0.00 C ATOM 0 H VAL A 55 -5.715 5.686 2.493 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.178 4.140 0.599 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.197 5.692 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.535 5.009 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.402 3.675 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.154 4.553 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.858 7.349 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.447 6.990 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.231 7.719 0.309 1.00 0.00 H new ATOM 821 N PHE A 56 -2.593 6.005 -0.374 1.00 0.00 N ATOM 822 CA PHE A 56 -1.427 6.845 -0.624 1.00 0.00 C ATOM 823 C PHE A 56 -1.023 6.791 -2.094 1.00 0.00 C ATOM 824 O PHE A 56 -1.274 5.813 -2.798 1.00 0.00 O ATOM 825 CB PHE A 56 -0.256 6.401 0.256 1.00 0.00 C ATOM 826 CG PHE A 56 0.200 4.996 -0.017 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.767 4.662 -1.236 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.060 4.009 0.946 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.188 3.370 -1.490 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.479 2.716 0.698 1.00 0.00 C ATOM 831 CZ PHE A 56 1.042 2.395 -0.522 1.00 0.00 C ATOM 0 H PHE A 56 -2.826 5.370 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.690 7.873 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.581 7.082 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.547 6.483 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.881 5.420 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.382 4.253 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.630 3.123 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.366 1.957 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.367 1.384 -0.719 1.00 0.00 H new ATOM 841 N PRO A 57 -0.381 7.868 -2.570 1.00 0.00 N ATOM 842 CA PRO A 57 0.073 7.969 -3.960 1.00 0.00 C ATOM 843 C PRO A 57 1.230 7.024 -4.263 1.00 0.00 C ATOM 844 O PRO A 57 2.316 7.157 -3.699 1.00 0.00 O ATOM 845 CB PRO A 57 0.526 9.426 -4.080 1.00 0.00 C ATOM 846 CG PRO A 57 0.886 9.827 -2.691 1.00 0.00 C ATOM 847 CD PRO A 57 -0.047 9.070 -1.787 1.00 0.00 C ATOM 0 HA PRO A 57 -0.710 7.692 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.378 9.521 -4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.268 10.056 -4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.925 9.583 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.775 10.903 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.430 8.814 -0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.936 9.653 -1.548 1.00 0.00 H new ATOM 855 N ASP A 58 0.991 6.071 -5.156 1.00 0.00 N ATOM 856 CA ASP A 58 2.015 5.104 -5.535 1.00 0.00 C ATOM 857 C ASP A 58 3.292 5.810 -5.980 1.00 0.00 C ATOM 858 O ASP A 58 4.392 5.439 -5.574 1.00 0.00 O ATOM 859 CB ASP A 58 1.502 4.198 -6.655 1.00 0.00 C ATOM 860 CG ASP A 58 1.836 4.734 -8.033 1.00 0.00 C ATOM 861 OD1 ASP A 58 1.454 5.885 -8.331 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.481 4.003 -8.813 1.00 0.00 O ATOM 0 H ASP A 58 0.097 5.947 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 58 2.244 4.494 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.934 3.204 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.421 4.088 -6.563 1.00 0.00 H new ATOM 867 N ASN A 59 3.136 6.830 -6.818 1.00 0.00 N ATOM 868 CA ASN A 59 4.277 7.588 -7.320 1.00 0.00 C ATOM 869 C ASN A 59 5.253 7.913 -6.194 1.00 0.00 C ATOM 870 O ASN A 59 6.469 7.852 -6.375 1.00 0.00 O ATOM 871 CB ASN A 59 3.803 8.881 -7.988 1.00 0.00 C ATOM 872 CG ASN A 59 2.735 9.592 -7.179 1.00 0.00 C ATOM 873 OD1 ASN A 59 1.691 9.019 -6.869 1.00 0.00 O ATOM 874 ND2 ASN A 59 2.994 10.847 -6.832 1.00 0.00 N ATOM 0 H ASN A 59 2.231 7.151 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 59 4.793 6.973 -8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.654 9.548 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.412 8.652 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.314 11.376 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.873 11.282 -7.111 1.00 0.00 H new ATOM 881 N PHE A 60 4.711 8.257 -5.030 1.00 0.00 N ATOM 882 CA PHE A 60 5.533 8.592 -3.873 1.00 0.00 C ATOM 883 C PHE A 60 6.361 7.390 -3.429 1.00 0.00 C ATOM 884 O PHE A 60 7.519 7.530 -3.034 1.00 0.00 O ATOM 885 CB PHE A 60 4.654 9.075 -2.718 1.00 0.00 C ATOM 886 CG PHE A 60 4.378 10.551 -2.752 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.721 11.122 -3.830 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.774 11.367 -1.705 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.466 12.480 -3.863 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.522 12.726 -1.732 1.00 0.00 C ATOM 891 CZ PHE A 60 3.866 13.282 -2.813 1.00 0.00 C ATOM 0 H PHE A 60 3.706 8.311 -4.863 1.00 0.00 H new ATOM 0 HA PHE A 60 6.213 9.393 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.707 8.536 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.139 8.826 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.405 10.499 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.286 10.936 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.954 12.913 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.837 13.351 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.666 14.343 -2.837 1.00 0.00 H new ATOM 901 N VAL A 61 5.759 6.206 -3.495 1.00 0.00 N ATOM 902 CA VAL A 61 6.439 4.979 -3.100 1.00 0.00 C ATOM 903 C VAL A 61 6.882 4.179 -4.320 1.00 0.00 C ATOM 904 O VAL A 61 6.612 4.561 -5.459 1.00 0.00 O ATOM 905 CB VAL A 61 5.536 4.094 -2.220 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.054 4.868 -1.002 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.359 3.567 -3.027 1.00 0.00 C ATOM 0 H VAL A 61 4.801 6.071 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 61 7.316 5.275 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 61 6.119 3.242 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.417 4.227 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.912 5.192 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.486 5.740 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.731 2.944 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.773 4.405 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.728 2.975 -3.864 1.00 0.00 H new ATOM 917 N LYS A 62 7.564 3.066 -4.075 1.00 0.00 N ATOM 918 CA LYS A 62 8.044 2.209 -5.153 1.00 0.00 C ATOM 919 C LYS A 62 7.933 0.737 -4.768 1.00 0.00 C ATOM 920 O LYS A 62 8.010 0.385 -3.590 1.00 0.00 O ATOM 921 CB LYS A 62 9.497 2.550 -5.495 1.00 0.00 C ATOM 922 CG LYS A 62 9.647 3.821 -6.311 1.00 0.00 C ATOM 923 CD LYS A 62 9.160 3.629 -7.738 1.00 0.00 C ATOM 924 CE LYS A 62 10.281 3.153 -8.650 1.00 0.00 C ATOM 925 NZ LYS A 62 10.366 1.667 -8.695 1.00 0.00 N ATOM 0 H LYS A 62 7.797 2.736 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 62 7.420 2.385 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.065 2.653 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.936 1.719 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.084 4.626 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.693 4.127 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.346 2.904 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.756 4.569 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.118 3.538 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.230 3.561 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.777 1.370 -9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.967 1.330 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.413 1.262 -8.597 1.00 0.00 H new ATOM 939 N LEU A 63 7.754 -0.119 -5.768 1.00 0.00 N ATOM 940 CA LEU A 63 7.635 -1.554 -5.535 1.00 0.00 C ATOM 941 C LEU A 63 9.006 -2.222 -5.537 1.00 0.00 C ATOM 942 O LEU A 63 9.794 -2.044 -6.466 1.00 0.00 O ATOM 943 CB LEU A 63 6.743 -2.192 -6.601 1.00 0.00 C ATOM 944 CG LEU A 63 5.253 -2.277 -6.267 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.020 -3.234 -5.108 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.699 -0.897 -5.941 1.00 0.00 C ATOM 0 H LEU A 63 7.688 0.156 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 63 7.181 -1.701 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.856 -1.627 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.109 -3.200 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 63 4.726 -2.661 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.954 -3.282 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.379 -4.227 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.560 -2.880 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.638 -0.977 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.231 -0.485 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.832 -0.239 -6.800 1.00 0.00 H new ATOM 958 N LEU A 64 9.283 -2.995 -4.492 1.00 0.00 N ATOM 959 CA LEU A 64 10.559 -3.692 -4.374 1.00 0.00 C ATOM 960 C LEU A 64 10.444 -5.127 -4.880 1.00 0.00 C ATOM 961 O LEU A 64 9.343 -5.663 -5.010 1.00 0.00 O ATOM 962 CB LEU A 64 11.031 -3.689 -2.919 1.00 0.00 C ATOM 963 CG LEU A 64 11.073 -2.325 -2.230 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.871 -2.477 -0.730 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.389 -1.619 -2.523 1.00 0.00 C ATOM 0 H LEU A 64 8.642 -3.155 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 64 11.290 -3.167 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.376 -4.344 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.030 -4.124 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 64 10.260 -1.716 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.904 -1.495 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.903 -2.940 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.661 -3.105 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.401 -0.650 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.217 -2.226 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.493 -1.475 -3.598 1.00 0.00 H new