USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 Single : A 7 LYS NZ :NH3+ -162:sc= 0.386 (180deg=0.187) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 0.0721 (180deg=0.0222) USER MOD Single : A 13 TYR OH : rot 0:sc= -0.694 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.63 K(o=-1.6,f=0.36) USER MOD Single : A 22 GLN : amide:sc=-0.00783 K(o=-0.0078,f=-0.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.416 (180deg=-0.077) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc=-0.00439 (180deg=-0.113) USER MOD Single : A 56 ASN : amide:sc= -6.42! C(o=-6.4!,f=-16!) USER MOD Single : A 62 SER OG : rot 67:sc= 0.592 USER MOD Single : A 67 GLN : amide:sc= 0.136 K(o=0.14,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 91:sc= 0.894 USER MOD Single : A 75 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 1.562 7.170 0.545 1.00 0.00 N ATOM 49 CA GLU A 4 0.826 7.592 1.725 1.00 0.00 C ATOM 50 C GLU A 4 1.058 6.609 2.874 1.00 0.00 C ATOM 51 O GLU A 4 1.336 7.020 4.000 1.00 0.00 O ATOM 52 CB GLU A 4 -0.666 7.734 1.419 1.00 0.00 C ATOM 53 CG GLU A 4 -1.200 9.082 1.907 1.00 0.00 C ATOM 54 CD GLU A 4 -1.944 8.929 3.236 1.00 0.00 C ATOM 55 OE1 GLU A 4 -3.068 8.385 3.196 1.00 0.00 O ATOM 56 OE2 GLU A 4 -1.371 9.358 4.260 1.00 0.00 O ATOM 0 HA GLU A 4 1.196 8.571 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.831 7.640 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.218 6.925 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.374 9.782 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.870 9.505 1.158 1.00 0.00 H new ATOM 63 N GLU A 5 0.937 5.330 2.551 1.00 0.00 N ATOM 64 CA GLU A 5 1.130 4.286 3.542 1.00 0.00 C ATOM 65 C GLU A 5 2.596 4.232 3.978 1.00 0.00 C ATOM 66 O GLU A 5 2.896 3.885 5.119 1.00 0.00 O ATOM 67 CB GLU A 5 0.666 2.929 3.008 1.00 0.00 C ATOM 68 CG GLU A 5 -0.718 2.569 3.551 1.00 0.00 C ATOM 69 CD GLU A 5 -0.744 1.132 4.075 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.039 0.854 5.009 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.546 0.344 3.530 1.00 0.00 O ATOM 0 H GLU A 5 0.707 4.993 1.616 1.00 0.00 H new ATOM 0 HA GLU A 5 0.520 4.523 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.638 2.953 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.383 2.159 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.989 3.257 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.463 2.687 2.764 1.00 0.00 H new ATOM 78 N LEU A 6 3.470 4.579 3.045 1.00 0.00 N ATOM 79 CA LEU A 6 4.897 4.575 3.318 1.00 0.00 C ATOM 80 C LEU A 6 5.206 5.600 4.411 1.00 0.00 C ATOM 81 O LEU A 6 6.012 5.338 5.302 1.00 0.00 O ATOM 82 CB LEU A 6 5.690 4.793 2.027 1.00 0.00 C ATOM 83 CG LEU A 6 5.970 3.542 1.192 1.00 0.00 C ATOM 84 CD1 LEU A 6 6.356 3.915 -0.241 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.029 2.663 1.861 1.00 0.00 C ATOM 0 H LEU A 6 3.217 4.865 2.099 1.00 0.00 H new ATOM 0 HA LEU A 6 5.210 3.602 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.147 5.506 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.643 5.255 2.283 1.00 0.00 H new ATOM 0 HG LEU A 6 5.053 2.955 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.550 3.008 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.540 4.469 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.253 4.534 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.210 1.780 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.956 3.227 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.677 2.355 2.845 1.00 0.00 H new ATOM 97 N LYS A 7 4.549 6.746 4.306 1.00 0.00 N ATOM 98 CA LYS A 7 4.744 7.811 5.274 1.00 0.00 C ATOM 99 C LYS A 7 4.278 7.334 6.651 1.00 0.00 C ATOM 100 O LYS A 7 5.030 7.402 7.622 1.00 0.00 O ATOM 101 CB LYS A 7 4.058 9.095 4.803 1.00 0.00 C ATOM 102 CG LYS A 7 4.949 10.314 5.047 1.00 0.00 C ATOM 103 CD LYS A 7 5.633 10.761 3.753 1.00 0.00 C ATOM 104 CE LYS A 7 4.651 11.499 2.841 1.00 0.00 C ATOM 105 NZ LYS A 7 4.416 10.726 1.600 1.00 0.00 N ATOM 0 H LYS A 7 3.881 6.960 3.565 1.00 0.00 H new ATOM 0 HA LYS A 7 5.802 8.057 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.824 9.018 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.112 9.220 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.350 11.132 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.703 10.074 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.475 11.411 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.037 9.893 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.707 11.655 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.045 12.485 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.009 11.350 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.318 10.338 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.756 9.946 1.796 1.00 0.00 H new ATOM 119 N GLY A 8 3.040 6.863 6.691 1.00 0.00 N ATOM 120 CA GLY A 8 2.465 6.375 7.933 1.00 0.00 C ATOM 121 C GLY A 8 3.320 5.256 8.531 1.00 0.00 C ATOM 122 O GLY A 8 3.767 5.353 9.673 1.00 0.00 O ATOM 0 H GLY A 8 2.419 6.809 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.382 7.195 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.455 6.008 7.751 1.00 0.00 H new ATOM 126 N ILE A 9 3.522 4.218 7.731 1.00 0.00 N ATOM 127 CA ILE A 9 4.316 3.082 8.167 1.00 0.00 C ATOM 128 C ILE A 9 5.683 3.573 8.647 1.00 0.00 C ATOM 129 O ILE A 9 6.140 3.194 9.724 1.00 0.00 O ATOM 130 CB ILE A 9 4.395 2.028 7.060 1.00 0.00 C ATOM 131 CG1 ILE A 9 3.067 1.281 6.919 1.00 0.00 C ATOM 132 CG2 ILE A 9 5.568 1.074 7.294 1.00 0.00 C ATOM 133 CD1 ILE A 9 3.153 0.213 5.826 1.00 0.00 C ATOM 0 H ILE A 9 3.150 4.141 6.785 1.00 0.00 H new ATOM 0 HA ILE A 9 3.840 2.588 9.014 1.00 0.00 H new ATOM 0 HB ILE A 9 4.579 2.538 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.805 0.815 7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.272 1.987 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.601 0.335 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.500 1.639 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.439 0.567 8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.196 -0.303 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.391 0.686 4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.933 -0.505 6.080 1.00 0.00 H new ATOM 145 N PHE A 10 6.298 4.410 7.824 1.00 0.00 N ATOM 146 CA PHE A 10 7.603 4.957 8.151 1.00 0.00 C ATOM 147 C PHE A 10 7.606 5.568 9.554 1.00 0.00 C ATOM 148 O PHE A 10 8.434 5.210 10.389 1.00 0.00 O ATOM 149 CB PHE A 10 7.896 6.057 7.128 1.00 0.00 C ATOM 150 CG PHE A 10 9.060 6.972 7.515 1.00 0.00 C ATOM 151 CD1 PHE A 10 8.856 8.006 8.375 1.00 0.00 C ATOM 152 CD2 PHE A 10 10.299 6.752 6.998 1.00 0.00 C ATOM 153 CE1 PHE A 10 9.936 8.855 8.733 1.00 0.00 C ATOM 154 CE2 PHE A 10 11.379 7.601 7.357 1.00 0.00 C ATOM 155 CZ PHE A 10 11.174 8.635 8.217 1.00 0.00 C ATOM 0 H PHE A 10 5.916 4.722 6.931 1.00 0.00 H new ATOM 0 HA PHE A 10 8.354 4.167 8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.115 5.595 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.000 6.663 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.872 8.181 8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.461 5.932 6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.774 9.676 9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.363 7.426 6.947 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.995 9.281 8.490 1.00 0.00 H new ATOM 165 N GLU A 11 6.669 6.480 9.769 1.00 0.00 N ATOM 166 CA GLU A 11 6.553 7.144 11.056 1.00 0.00 C ATOM 167 C GLU A 11 6.256 6.123 12.156 1.00 0.00 C ATOM 168 O GLU A 11 6.771 6.233 13.267 1.00 0.00 O ATOM 169 CB GLU A 11 5.481 8.235 11.016 1.00 0.00 C ATOM 170 CG GLU A 11 6.036 9.568 11.522 1.00 0.00 C ATOM 171 CD GLU A 11 5.121 10.173 12.589 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.899 9.926 12.495 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.664 10.869 13.474 1.00 0.00 O ATOM 0 H GLU A 11 5.983 6.775 9.074 1.00 0.00 H new ATOM 0 HA GLU A 11 7.505 7.625 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.115 8.353 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.630 7.936 11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.033 9.417 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.138 10.263 10.689 1.00 0.00 H new ATOM 180 N LYS A 12 5.424 5.152 11.807 1.00 0.00 N ATOM 181 CA LYS A 12 5.052 4.111 12.751 1.00 0.00 C ATOM 182 C LYS A 12 6.313 3.399 13.242 1.00 0.00 C ATOM 183 O LYS A 12 6.338 2.866 14.350 1.00 0.00 O ATOM 184 CB LYS A 12 4.017 3.171 12.130 1.00 0.00 C ATOM 185 CG LYS A 12 3.549 2.125 13.143 1.00 0.00 C ATOM 186 CD LYS A 12 3.507 0.731 12.513 1.00 0.00 C ATOM 187 CE LYS A 12 3.833 -0.348 13.548 1.00 0.00 C ATOM 188 NZ LYS A 12 4.552 -1.475 12.912 1.00 0.00 N ATOM 0 H LYS A 12 4.997 5.064 10.885 1.00 0.00 H new ATOM 0 HA LYS A 12 4.570 4.545 13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.162 3.748 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.447 2.674 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.220 2.120 14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.559 2.390 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.519 0.548 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.220 0.678 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.443 0.077 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.913 -0.709 14.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.028 -2.040 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.874 -2.074 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.260 -1.104 12.246 1.00 0.00 H new ATOM 202 N TYR A 13 7.331 3.412 12.393 1.00 0.00 N ATOM 203 CA TYR A 13 8.592 2.773 12.727 1.00 0.00 C ATOM 204 C TYR A 13 9.583 3.786 13.305 1.00 0.00 C ATOM 205 O TYR A 13 10.260 3.504 14.292 1.00 0.00 O ATOM 206 CB TYR A 13 9.149 2.226 11.411 1.00 0.00 C ATOM 207 CG TYR A 13 8.777 0.768 11.136 1.00 0.00 C ATOM 208 CD1 TYR A 13 7.502 0.449 10.715 1.00 0.00 C ATOM 209 CD2 TYR A 13 9.716 -0.228 11.309 1.00 0.00 C ATOM 210 CE1 TYR A 13 7.152 -0.923 10.456 1.00 0.00 C ATOM 211 CE2 TYR A 13 9.365 -1.601 11.051 1.00 0.00 C ATOM 212 CZ TYR A 13 8.101 -1.880 10.636 1.00 0.00 C ATOM 213 OH TYR A 13 7.770 -3.177 10.392 1.00 0.00 O ATOM 0 H TYR A 13 7.308 3.855 11.475 1.00 0.00 H new ATOM 0 HA TYR A 13 8.442 1.993 13.473 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.786 2.844 10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.235 2.317 11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.767 1.229 10.580 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.714 0.022 11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.158 -1.186 10.126 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.090 -2.391 11.184 1.00 0.00 H new ATOM 0 HH TYR A 13 6.834 -3.227 10.105 1.00 0.00 H new ATOM 223 N ALA A 14 9.637 4.945 12.665 1.00 0.00 N ATOM 224 CA ALA A 14 10.533 6.001 13.103 1.00 0.00 C ATOM 225 C ALA A 14 10.185 6.397 14.539 1.00 0.00 C ATOM 226 O ALA A 14 11.027 6.927 15.262 1.00 0.00 O ATOM 227 CB ALA A 14 10.443 7.182 12.134 1.00 0.00 C ATOM 0 H ALA A 14 9.074 5.176 11.846 1.00 0.00 H new ATOM 0 HA ALA A 14 11.566 5.654 13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.115 7.974 12.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.729 6.855 11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.420 7.559 12.114 1.00 0.00 H new ATOM 233 N ALA A 15 8.942 6.124 14.909 1.00 0.00 N ATOM 234 CA ALA A 15 8.472 6.446 16.246 1.00 0.00 C ATOM 235 C ALA A 15 8.838 5.305 17.198 1.00 0.00 C ATOM 236 O ALA A 15 8.905 5.502 18.410 1.00 0.00 O ATOM 237 CB ALA A 15 6.966 6.713 16.207 1.00 0.00 C ATOM 0 H ALA A 15 8.247 5.684 14.307 1.00 0.00 H new ATOM 0 HA ALA A 15 8.954 7.351 16.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.613 6.955 17.210 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.762 7.550 15.539 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.448 5.825 15.844 1.00 0.00 H new ATOM 243 N LYS A 16 9.065 4.138 16.613 1.00 0.00 N ATOM 244 CA LYS A 16 9.422 2.966 17.395 1.00 0.00 C ATOM 245 C LYS A 16 10.640 3.289 18.262 1.00 0.00 C ATOM 246 O LYS A 16 10.547 3.302 19.489 1.00 0.00 O ATOM 247 CB LYS A 16 9.621 1.754 16.482 1.00 0.00 C ATOM 248 CG LYS A 16 8.854 0.540 17.009 1.00 0.00 C ATOM 249 CD LYS A 16 9.307 -0.742 16.307 1.00 0.00 C ATOM 250 CE LYS A 16 9.196 -1.948 17.241 1.00 0.00 C ATOM 251 NZ LYS A 16 7.783 -2.367 17.381 1.00 0.00 N ATOM 0 H LYS A 16 9.009 3.979 15.607 1.00 0.00 H new ATOM 0 HA LYS A 16 8.611 2.697 18.072 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.282 1.994 15.474 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.683 1.516 16.413 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.010 0.445 18.084 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.785 0.685 16.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.698 -0.909 15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.338 -0.632 15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.789 -2.774 16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.606 -1.697 18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.726 -3.187 18.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.226 -1.582 17.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.404 -2.627 16.448 1.00 0.00 H new ATOM 265 N GLU A 17 11.754 3.543 17.592 1.00 0.00 N ATOM 266 CA GLU A 17 12.989 3.865 18.286 1.00 0.00 C ATOM 267 C GLU A 17 13.495 5.244 17.858 1.00 0.00 C ATOM 268 O GLU A 17 13.600 5.527 16.665 1.00 0.00 O ATOM 269 CB GLU A 17 14.051 2.791 18.043 1.00 0.00 C ATOM 270 CG GLU A 17 13.709 1.502 18.792 1.00 0.00 C ATOM 271 CD GLU A 17 14.931 0.961 19.538 1.00 0.00 C ATOM 272 OE1 GLU A 17 15.271 1.561 20.581 1.00 0.00 O ATOM 273 OE2 GLU A 17 15.497 -0.041 19.049 1.00 0.00 O ATOM 0 H GLU A 17 11.827 3.532 16.575 1.00 0.00 H new ATOM 0 HA GLU A 17 12.785 3.891 19.356 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.128 2.586 16.975 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.025 3.157 18.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.901 1.691 19.499 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.347 0.753 18.088 1.00 0.00 H new ATOM 280 N GLY A 18 13.795 6.064 18.854 1.00 0.00 N ATOM 281 CA GLY A 18 14.287 7.407 18.595 1.00 0.00 C ATOM 282 C GLY A 18 13.201 8.276 17.958 1.00 0.00 C ATOM 283 O GLY A 18 12.082 7.815 17.738 1.00 0.00 O ATOM 0 H GLY A 18 13.707 5.825 19.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.621 7.862 19.528 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.153 7.360 17.935 1.00 0.00 H new ATOM 287 N ASP A 19 13.569 9.519 17.681 1.00 0.00 N ATOM 288 CA ASP A 19 12.639 10.457 17.075 1.00 0.00 C ATOM 289 C ASP A 19 12.175 9.907 15.725 1.00 0.00 C ATOM 290 O ASP A 19 12.979 9.387 14.952 1.00 0.00 O ATOM 291 CB ASP A 19 13.306 11.812 16.830 1.00 0.00 C ATOM 292 CG ASP A 19 12.348 13.003 16.777 1.00 0.00 C ATOM 293 OD1 ASP A 19 11.622 13.104 15.765 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.364 13.788 17.750 1.00 0.00 O ATOM 0 H ASP A 19 14.498 9.898 17.865 1.00 0.00 H new ATOM 0 HA ASP A 19 11.798 10.587 17.756 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.038 11.988 17.619 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.856 11.765 15.890 1.00 0.00 H new ATOM 299 N PRO A 20 10.845 10.044 15.475 1.00 0.00 N ATOM 300 CA PRO A 20 10.264 9.567 14.232 1.00 0.00 C ATOM 301 C PRO A 20 10.613 10.499 13.070 1.00 0.00 C ATOM 302 O PRO A 20 10.273 10.220 11.922 1.00 0.00 O ATOM 303 CB PRO A 20 8.770 9.487 14.501 1.00 0.00 C ATOM 304 CG PRO A 20 8.519 10.358 15.722 1.00 0.00 C ATOM 305 CD PRO A 20 9.863 10.654 16.367 1.00 0.00 C ATOM 0 HA PRO A 20 10.654 8.594 13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.199 9.843 13.643 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.461 8.458 14.685 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.021 11.284 15.435 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.862 9.848 16.426 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.028 11.727 16.463 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.923 10.231 17.370 1.00 0.00 H new ATOM 313 N ASN A 21 11.287 11.588 13.410 1.00 0.00 N ATOM 314 CA ASN A 21 11.686 12.564 12.409 1.00 0.00 C ATOM 315 C ASN A 21 13.069 12.195 11.867 1.00 0.00 C ATOM 316 O ASN A 21 13.626 12.914 11.040 1.00 0.00 O ATOM 317 CB ASN A 21 11.773 13.967 13.012 1.00 0.00 C ATOM 318 CG ASN A 21 10.391 14.471 13.431 1.00 0.00 C ATOM 319 OD1 ASN A 21 10.016 14.440 14.592 1.00 0.00 O ATOM 320 ND2 ASN A 21 9.656 14.935 12.424 1.00 0.00 N ATOM 0 H ASN A 21 11.567 11.816 14.364 1.00 0.00 H new ATOM 0 HA ASN A 21 10.939 12.559 11.615 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.437 13.954 13.876 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.209 14.653 12.285 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.718 15.294 12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.031 14.932 11.475 1.00 0.00 H new ATOM 327 N GLN A 22 13.581 11.075 12.355 1.00 0.00 N ATOM 328 CA GLN A 22 14.888 10.603 11.930 1.00 0.00 C ATOM 329 C GLN A 22 14.971 9.081 12.061 1.00 0.00 C ATOM 330 O GLN A 22 14.712 8.532 13.131 1.00 0.00 O ATOM 331 CB GLN A 22 16.003 11.284 12.726 1.00 0.00 C ATOM 332 CG GLN A 22 15.535 11.627 14.142 1.00 0.00 C ATOM 333 CD GLN A 22 16.604 12.422 14.895 1.00 0.00 C ATOM 334 OE1 GLN A 22 17.363 13.187 14.323 1.00 0.00 O ATOM 335 NE2 GLN A 22 16.620 12.199 16.206 1.00 0.00 N ATOM 0 H GLN A 22 13.115 10.481 13.040 1.00 0.00 H new ATOM 0 HA GLN A 22 15.024 10.866 10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.872 10.628 12.775 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.318 12.193 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.613 12.206 14.094 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.308 10.710 14.686 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.956 11.545 16.620 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.297 12.682 16.797 1.00 0.00 H new ATOM 344 N LEU A 23 15.332 8.442 10.958 1.00 0.00 N ATOM 345 CA LEU A 23 15.452 6.994 10.937 1.00 0.00 C ATOM 346 C LEU A 23 16.853 6.596 11.407 1.00 0.00 C ATOM 347 O LEU A 23 17.811 7.342 11.215 1.00 0.00 O ATOM 348 CB LEU A 23 15.089 6.447 9.555 1.00 0.00 C ATOM 349 CG LEU A 23 13.614 6.102 9.337 1.00 0.00 C ATOM 350 CD1 LEU A 23 13.368 4.604 9.525 1.00 0.00 C ATOM 351 CD2 LEU A 23 12.714 6.949 10.238 1.00 0.00 C ATOM 0 H LEU A 23 15.545 8.900 10.072 1.00 0.00 H new ATOM 0 HA LEU A 23 14.742 6.542 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.384 7.182 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.682 5.551 9.373 1.00 0.00 H new ATOM 0 HG LEU A 23 13.355 6.343 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.312 4.386 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.968 4.044 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.649 4.313 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.671 6.684 10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.966 6.763 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.863 8.005 10.012 1.00 0.00 H new ATOM 363 N SER A 24 16.926 5.421 12.014 1.00 0.00 N ATOM 364 CA SER A 24 18.193 4.914 12.514 1.00 0.00 C ATOM 365 C SER A 24 18.492 3.549 11.892 1.00 0.00 C ATOM 366 O SER A 24 17.602 2.906 11.337 1.00 0.00 O ATOM 367 CB SER A 24 18.182 4.812 14.040 1.00 0.00 C ATOM 368 OG SER A 24 18.087 6.091 14.660 1.00 0.00 O ATOM 0 H SER A 24 16.128 4.805 12.171 1.00 0.00 H new ATOM 0 HA SER A 24 18.978 5.615 12.230 1.00 0.00 H new ATOM 0 HB2 SER A 24 17.342 4.193 14.356 1.00 0.00 H new ATOM 0 HB3 SER A 24 19.091 4.313 14.376 1.00 0.00 H new ATOM 0 HG SER A 24 18.081 5.983 15.634 1.00 0.00 H new ATOM 374 N LYS A 25 19.749 3.145 12.005 1.00 0.00 N ATOM 375 CA LYS A 25 20.177 1.867 11.461 1.00 0.00 C ATOM 376 C LYS A 25 19.286 0.756 12.020 1.00 0.00 C ATOM 377 O LYS A 25 18.604 0.064 11.266 1.00 0.00 O ATOM 378 CB LYS A 25 21.669 1.647 11.720 1.00 0.00 C ATOM 379 CG LYS A 25 22.147 0.338 11.089 1.00 0.00 C ATOM 380 CD LYS A 25 23.456 -0.131 11.727 1.00 0.00 C ATOM 381 CE LYS A 25 24.638 0.092 10.781 1.00 0.00 C ATOM 382 NZ LYS A 25 25.768 0.718 11.502 1.00 0.00 N ATOM 0 H LYS A 25 20.485 3.680 12.465 1.00 0.00 H new ATOM 0 HA LYS A 25 20.060 1.856 10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.240 2.481 11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.857 1.627 12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.383 -0.430 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.290 0.477 10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.624 0.409 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.383 -1.189 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.954 -0.860 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.332 0.728 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.666 0.392 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.704 1.753 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.730 0.450 12.506 1.00 0.00 H new ATOM 396 N GLU A 26 19.320 0.620 13.338 1.00 0.00 N ATOM 397 CA GLU A 26 18.524 -0.395 14.006 1.00 0.00 C ATOM 398 C GLU A 26 17.050 -0.254 13.619 1.00 0.00 C ATOM 399 O GLU A 26 16.357 -1.252 13.429 1.00 0.00 O ATOM 400 CB GLU A 26 18.701 -0.320 15.524 1.00 0.00 C ATOM 401 CG GLU A 26 19.302 -1.616 16.071 1.00 0.00 C ATOM 402 CD GLU A 26 18.610 -2.036 17.370 1.00 0.00 C ATOM 403 OE1 GLU A 26 17.474 -2.547 17.268 1.00 0.00 O ATOM 404 OE2 GLU A 26 19.234 -1.836 18.435 1.00 0.00 O ATOM 0 H GLU A 26 19.886 1.196 13.961 1.00 0.00 H new ATOM 0 HA GLU A 26 18.873 -1.375 13.680 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.348 0.520 15.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.737 -0.134 15.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 19.203 -2.409 15.329 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.368 -1.479 16.251 1.00 0.00 H new ATOM 411 N GLU A 27 16.616 0.993 13.513 1.00 0.00 N ATOM 412 CA GLU A 27 15.237 1.277 13.151 1.00 0.00 C ATOM 413 C GLU A 27 14.940 0.757 11.743 1.00 0.00 C ATOM 414 O GLU A 27 14.016 -0.033 11.552 1.00 0.00 O ATOM 415 CB GLU A 27 14.940 2.774 13.257 1.00 0.00 C ATOM 416 CG GLU A 27 14.066 3.074 14.476 1.00 0.00 C ATOM 417 CD GLU A 27 12.786 3.806 14.067 1.00 0.00 C ATOM 418 OE1 GLU A 27 12.326 3.553 12.932 1.00 0.00 O ATOM 419 OE2 GLU A 27 12.297 4.601 14.897 1.00 0.00 O ATOM 0 H GLU A 27 17.194 1.818 13.671 1.00 0.00 H new ATOM 0 HA GLU A 27 14.583 0.760 13.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.875 3.330 13.330 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.437 3.114 12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.811 2.143 14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.625 3.682 15.188 1.00 0.00 H new ATOM 426 N LEU A 28 15.740 1.221 10.794 1.00 0.00 N ATOM 427 CA LEU A 28 15.574 0.812 9.410 1.00 0.00 C ATOM 428 C LEU A 28 15.526 -0.715 9.335 1.00 0.00 C ATOM 429 O LEU A 28 14.641 -1.282 8.696 1.00 0.00 O ATOM 430 CB LEU A 28 16.661 1.437 8.533 1.00 0.00 C ATOM 431 CG LEU A 28 16.258 1.756 7.092 1.00 0.00 C ATOM 432 CD1 LEU A 28 14.830 2.301 7.029 1.00 0.00 C ATOM 433 CD2 LEU A 28 17.264 2.707 6.439 1.00 0.00 C ATOM 0 H LEU A 28 16.505 1.876 10.957 1.00 0.00 H new ATOM 0 HA LEU A 28 14.627 1.180 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.998 2.359 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.515 0.760 8.509 1.00 0.00 H new ATOM 0 HG LEU A 28 16.273 0.828 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.569 2.519 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.139 1.558 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.763 3.214 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.954 2.918 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.305 3.638 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.251 2.244 6.431 1.00 0.00 H new ATOM 445 N LYS A 29 16.489 -1.338 9.998 1.00 0.00 N ATOM 446 CA LYS A 29 16.568 -2.789 10.015 1.00 0.00 C ATOM 447 C LYS A 29 15.160 -3.371 10.148 1.00 0.00 C ATOM 448 O LYS A 29 14.739 -4.183 9.325 1.00 0.00 O ATOM 449 CB LYS A 29 17.534 -3.260 11.104 1.00 0.00 C ATOM 450 CG LYS A 29 17.632 -4.787 11.127 1.00 0.00 C ATOM 451 CD LYS A 29 18.714 -5.253 12.103 1.00 0.00 C ATOM 452 CE LYS A 29 18.955 -6.758 11.977 1.00 0.00 C ATOM 453 NZ LYS A 29 19.167 -7.363 13.312 1.00 0.00 N ATOM 0 H LYS A 29 17.221 -0.865 10.527 1.00 0.00 H new ATOM 0 HA LYS A 29 16.978 -3.159 9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.521 -2.831 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.196 -2.899 12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.670 -5.212 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.857 -5.156 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.642 -4.715 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.416 -5.013 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.102 -7.229 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.825 -6.941 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.329 -8.385 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.995 -6.925 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.326 -7.204 13.903 1.00 0.00 H new ATOM 467 N LEU A 30 14.469 -2.933 11.191 1.00 0.00 N ATOM 468 CA LEU A 30 13.116 -3.400 11.442 1.00 0.00 C ATOM 469 C LEU A 30 12.265 -3.180 10.190 1.00 0.00 C ATOM 470 O LEU A 30 11.678 -4.123 9.661 1.00 0.00 O ATOM 471 CB LEU A 30 12.546 -2.738 12.698 1.00 0.00 C ATOM 472 CG LEU A 30 13.332 -2.963 13.991 1.00 0.00 C ATOM 473 CD1 LEU A 30 12.479 -2.632 15.217 1.00 0.00 C ATOM 474 CD2 LEU A 30 13.894 -4.385 14.050 1.00 0.00 C ATOM 0 H LEU A 30 14.821 -2.260 11.872 1.00 0.00 H new ATOM 0 HA LEU A 30 13.113 -4.471 11.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.478 -1.665 12.520 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.529 -3.102 12.847 1.00 0.00 H new ATOM 0 HG LEU A 30 14.182 -2.280 13.997 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.062 -2.801 16.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.170 -1.588 15.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.596 -3.271 15.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.448 -4.519 14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.074 -5.102 14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.560 -4.548 13.203 1.00 0.00 H new ATOM 486 N LEU A 31 12.224 -1.930 9.753 1.00 0.00 N ATOM 487 CA LEU A 31 11.454 -1.574 8.573 1.00 0.00 C ATOM 488 C LEU A 31 11.808 -2.529 7.431 1.00 0.00 C ATOM 489 O LEU A 31 10.964 -3.299 6.977 1.00 0.00 O ATOM 490 CB LEU A 31 11.657 -0.098 8.226 1.00 0.00 C ATOM 491 CG LEU A 31 10.502 0.582 7.488 1.00 0.00 C ATOM 492 CD1 LEU A 31 9.755 1.548 8.410 1.00 0.00 C ATOM 493 CD2 LEU A 31 10.996 1.272 6.214 1.00 0.00 C ATOM 0 H LEU A 31 12.712 -1.151 10.195 1.00 0.00 H new ATOM 0 HA LEU A 31 10.387 -1.688 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.844 0.450 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.555 -0.009 7.615 1.00 0.00 H new ATOM 0 HG LEU A 31 9.792 -0.187 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.939 2.018 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.351 1.000 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.442 2.316 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.155 1.747 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.738 2.027 6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.447 0.533 5.552 1.00 0.00 H new ATOM 505 N LEU A 32 13.058 -2.447 7.000 1.00 0.00 N ATOM 506 CA LEU A 32 13.535 -3.294 5.920 1.00 0.00 C ATOM 507 C LEU A 32 13.159 -4.748 6.214 1.00 0.00 C ATOM 508 O LEU A 32 13.085 -5.570 5.303 1.00 0.00 O ATOM 509 CB LEU A 32 15.032 -3.080 5.692 1.00 0.00 C ATOM 510 CG LEU A 32 15.474 -1.636 5.449 1.00 0.00 C ATOM 511 CD1 LEU A 32 16.986 -1.486 5.634 1.00 0.00 C ATOM 512 CD2 LEU A 32 15.014 -1.145 4.075 1.00 0.00 C ATOM 0 H LEU A 32 13.755 -1.807 7.379 1.00 0.00 H new ATOM 0 HA LEU A 32 13.052 -3.023 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.570 -3.462 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.339 -3.682 4.836 1.00 0.00 H new ATOM 0 HG LEU A 32 14.994 -1.003 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.273 -0.450 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.258 -1.768 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.505 -2.133 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.341 -0.116 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.446 -1.777 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.927 -1.191 4.017 1.00 0.00 H new ATOM 524 N GLN A 33 12.931 -5.020 7.491 1.00 0.00 N ATOM 525 CA GLN A 33 12.565 -6.360 7.916 1.00 0.00 C ATOM 526 C GLN A 33 11.166 -6.715 7.408 1.00 0.00 C ATOM 527 O GLN A 33 10.958 -7.792 6.852 1.00 0.00 O ATOM 528 CB GLN A 33 12.645 -6.493 9.438 1.00 0.00 C ATOM 529 CG GLN A 33 13.313 -7.810 9.839 1.00 0.00 C ATOM 530 CD GLN A 33 13.154 -8.072 11.338 1.00 0.00 C ATOM 531 OE1 GLN A 33 12.250 -8.760 11.782 1.00 0.00 O ATOM 532 NE2 GLN A 33 14.080 -7.485 12.091 1.00 0.00 N ATOM 0 H GLN A 33 12.993 -4.335 8.244 1.00 0.00 H new ATOM 0 HA GLN A 33 13.276 -7.064 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 33 13.207 -5.655 9.851 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.643 -6.445 9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.873 -8.632 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 33 14.372 -7.778 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.810 -6.922 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.060 -7.598 13.105 1.00 0.00 H new ATOM 541 N THR A 34 10.242 -5.787 7.617 1.00 0.00 N ATOM 542 CA THR A 34 8.869 -5.989 7.187 1.00 0.00 C ATOM 543 C THR A 34 8.609 -5.252 5.872 1.00 0.00 C ATOM 544 O THR A 34 8.119 -5.844 4.911 1.00 0.00 O ATOM 545 CB THR A 34 7.948 -5.545 8.325 1.00 0.00 C ATOM 546 OG1 THR A 34 7.557 -6.763 8.952 1.00 0.00 O ATOM 547 CG2 THR A 34 6.633 -4.950 7.816 1.00 0.00 C ATOM 0 H THR A 34 10.418 -4.894 8.078 1.00 0.00 H new ATOM 0 HA THR A 34 8.669 -7.040 6.979 1.00 0.00 H new ATOM 0 HB THR A 34 8.464 -4.810 8.943 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.959 -6.567 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.017 -4.651 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.844 -4.079 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.101 -5.696 7.225 1.00 0.00 H new ATOM 555 N GLU A 35 8.947 -3.971 5.871 1.00 0.00 N ATOM 556 CA GLU A 35 8.756 -3.147 4.690 1.00 0.00 C ATOM 557 C GLU A 35 9.279 -3.872 3.447 1.00 0.00 C ATOM 558 O GLU A 35 8.540 -4.071 2.484 1.00 0.00 O ATOM 559 CB GLU A 35 9.433 -1.785 4.855 1.00 0.00 C ATOM 560 CG GLU A 35 9.456 -1.019 3.531 1.00 0.00 C ATOM 561 CD GLU A 35 8.054 -0.537 3.153 1.00 0.00 C ATOM 562 OE1 GLU A 35 7.343 -1.323 2.491 1.00 0.00 O ATOM 563 OE2 GLU A 35 7.726 0.607 3.534 1.00 0.00 O ATOM 0 H GLU A 35 9.352 -3.483 6.670 1.00 0.00 H new ATOM 0 HA GLU A 35 7.688 -2.971 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.904 -1.201 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.452 -1.923 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.129 -0.165 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.849 -1.660 2.742 1.00 0.00 H new ATOM 570 N PHE A 36 10.548 -4.246 3.510 1.00 0.00 N ATOM 571 CA PHE A 36 11.178 -4.944 2.402 1.00 0.00 C ATOM 572 C PHE A 36 12.297 -5.862 2.898 1.00 0.00 C ATOM 573 O PHE A 36 13.454 -5.451 2.974 1.00 0.00 O ATOM 574 CB PHE A 36 11.778 -3.877 1.484 1.00 0.00 C ATOM 575 CG PHE A 36 10.737 -3.029 0.752 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.642 -3.620 0.204 1.00 0.00 C ATOM 577 CD2 PHE A 36 10.906 -1.683 0.650 1.00 0.00 C ATOM 578 CE1 PHE A 36 8.675 -2.832 -0.476 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.940 -0.896 -0.030 1.00 0.00 C ATOM 580 CZ PHE A 36 8.845 -1.487 -0.578 1.00 0.00 C ATOM 0 H PHE A 36 11.157 -4.079 4.311 1.00 0.00 H new ATOM 0 HA PHE A 36 10.443 -5.559 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.416 -3.220 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.418 -4.364 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.507 -4.688 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.775 -1.213 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.805 -3.301 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.075 0.172 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.110 -0.888 -1.095 1.00 0.00 H new ATOM 590 N PRO A 37 11.903 -7.121 3.230 1.00 0.00 N ATOM 591 CA PRO A 37 12.860 -8.100 3.716 1.00 0.00 C ATOM 592 C PRO A 37 13.725 -8.636 2.574 1.00 0.00 C ATOM 593 O PRO A 37 14.595 -9.478 2.791 1.00 0.00 O ATOM 594 CB PRO A 37 12.017 -9.178 4.379 1.00 0.00 C ATOM 595 CG PRO A 37 10.609 -8.999 3.835 1.00 0.00 C ATOM 596 CD PRO A 37 10.542 -7.642 3.153 1.00 0.00 C ATOM 0 HA PRO A 37 13.572 -7.677 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.401 -10.172 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.033 -9.074 5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.369 -9.794 3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.878 -9.058 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.211 -7.735 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.836 -6.981 3.655 1.00 0.00 H new ATOM 604 N SER A 38 13.456 -8.125 1.381 1.00 0.00 N ATOM 605 CA SER A 38 14.199 -8.541 0.204 1.00 0.00 C ATOM 606 C SER A 38 15.434 -7.656 0.024 1.00 0.00 C ATOM 607 O SER A 38 16.459 -8.109 -0.483 1.00 0.00 O ATOM 608 CB SER A 38 13.321 -8.489 -1.048 1.00 0.00 C ATOM 609 OG SER A 38 13.414 -9.686 -1.816 1.00 0.00 O ATOM 0 H SER A 38 12.734 -7.427 1.205 1.00 0.00 H new ATOM 0 HA SER A 38 14.518 -9.573 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.284 -8.325 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.617 -7.640 -1.663 1.00 0.00 H new ATOM 0 HG SER A 38 12.838 -9.614 -2.605 1.00 0.00 H new ATOM 615 N LEU A 39 15.295 -6.409 0.449 1.00 0.00 N ATOM 616 CA LEU A 39 16.386 -5.456 0.341 1.00 0.00 C ATOM 617 C LEU A 39 17.524 -5.882 1.271 1.00 0.00 C ATOM 618 O LEU A 39 18.672 -5.483 1.077 1.00 0.00 O ATOM 619 CB LEU A 39 15.883 -4.034 0.598 1.00 0.00 C ATOM 620 CG LEU A 39 15.993 -3.061 -0.578 1.00 0.00 C ATOM 621 CD1 LEU A 39 17.407 -2.487 -0.685 1.00 0.00 C ATOM 622 CD2 LEU A 39 15.544 -3.724 -1.882 1.00 0.00 C ATOM 0 H LEU A 39 14.443 -6.037 0.869 1.00 0.00 H new ATOM 0 HA LEU A 39 16.787 -5.450 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.838 -4.089 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.438 -3.620 1.440 1.00 0.00 H new ATOM 0 HG LEU A 39 15.319 -2.225 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.457 -1.799 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 17.654 -1.954 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 39 18.119 -3.299 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 39 15.632 -3.011 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 39 16.174 -4.590 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.506 -4.044 -1.789 1.00 0.00 H new ATOM 634 N LEU A 40 17.167 -6.688 2.260 1.00 0.00 N ATOM 635 CA LEU A 40 18.144 -7.174 3.220 1.00 0.00 C ATOM 636 C LEU A 40 19.008 -8.250 2.561 1.00 0.00 C ATOM 637 O LEU A 40 20.180 -8.405 2.901 1.00 0.00 O ATOM 638 CB LEU A 40 17.450 -7.640 4.501 1.00 0.00 C ATOM 639 CG LEU A 40 16.787 -6.547 5.341 1.00 0.00 C ATOM 640 CD1 LEU A 40 15.958 -7.154 6.475 1.00 0.00 C ATOM 641 CD2 LEU A 40 17.825 -5.550 5.860 1.00 0.00 C ATOM 0 H LEU A 40 16.214 -7.017 2.417 1.00 0.00 H new ATOM 0 HA LEU A 40 18.814 -6.369 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.691 -8.375 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 18.184 -8.153 5.122 1.00 0.00 H new ATOM 0 HG LEU A 40 16.100 -5.993 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 15.498 -6.355 7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.180 -7.792 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 40 16.605 -7.747 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 40 17.328 -4.783 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 18.554 -6.073 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 40 18.334 -5.083 5.017 1.00 0.00 H new ATOM 653 N LYS A 41 18.396 -8.968 1.630 1.00 0.00 N ATOM 654 CA LYS A 41 19.095 -10.026 0.921 1.00 0.00 C ATOM 655 C LYS A 41 20.140 -9.406 -0.010 1.00 0.00 C ATOM 656 O LYS A 41 21.222 -9.962 -0.191 1.00 0.00 O ATOM 657 CB LYS A 41 18.099 -10.940 0.205 1.00 0.00 C ATOM 658 CG LYS A 41 17.222 -11.690 1.210 1.00 0.00 C ATOM 659 CD LYS A 41 16.988 -13.134 0.763 1.00 0.00 C ATOM 660 CE LYS A 41 17.063 -14.095 1.951 1.00 0.00 C ATOM 661 NZ LYS A 41 18.321 -14.873 1.908 1.00 0.00 N ATOM 0 H LYS A 41 17.424 -8.837 1.351 1.00 0.00 H new ATOM 0 HA LYS A 41 19.631 -10.665 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.471 -10.348 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.638 -11.655 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.698 -11.682 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.265 -11.179 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.012 -13.217 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.733 -13.413 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.007 -13.534 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.209 -14.772 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.357 -15.521 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.359 -15.422 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.132 -14.224 1.947 1.00 0.00 H new ATOM 675 N GLY A 42 19.779 -8.264 -0.576 1.00 0.00 N ATOM 676 CA GLY A 42 20.671 -7.563 -1.483 1.00 0.00 C ATOM 677 C GLY A 42 22.116 -7.618 -0.983 1.00 0.00 C ATOM 678 O GLY A 42 22.362 -7.923 0.184 1.00 0.00 O ATOM 0 H GLY A 42 18.880 -7.807 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 20.609 -8.008 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 42 20.355 -6.524 -1.579 1.00 0.00 H new ATOM 682 N MET A 43 23.034 -7.319 -1.889 1.00 0.00 N ATOM 683 CA MET A 43 24.448 -7.331 -1.555 1.00 0.00 C ATOM 684 C MET A 43 24.808 -6.150 -0.650 1.00 0.00 C ATOM 685 O MET A 43 25.947 -6.031 -0.202 1.00 0.00 O ATOM 686 CB MET A 43 25.278 -7.262 -2.838 1.00 0.00 C ATOM 687 CG MET A 43 24.982 -8.456 -3.748 1.00 0.00 C ATOM 688 SD MET A 43 26.479 -8.992 -4.558 1.00 0.00 S ATOM 689 CE MET A 43 25.783 -9.976 -5.875 1.00 0.00 C ATOM 0 H MET A 43 22.826 -7.067 -2.855 1.00 0.00 H new ATOM 0 HA MET A 43 24.667 -8.255 -1.020 1.00 0.00 H new ATOM 0 HB2 MET A 43 25.060 -6.334 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 43 26.339 -7.245 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 43 24.562 -9.274 -3.163 1.00 0.00 H new ATOM 0 HG3 MET A 43 24.235 -8.180 -4.492 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.587 -10.390 -6.484 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.194 -10.789 -5.450 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.142 -9.351 -6.497 1.00 0.00 H new ATOM 699 N SER A 44 23.814 -5.308 -0.408 1.00 0.00 N ATOM 700 CA SER A 44 24.011 -4.141 0.435 1.00 0.00 C ATOM 701 C SER A 44 23.714 -4.493 1.894 1.00 0.00 C ATOM 702 O SER A 44 22.557 -4.507 2.310 1.00 0.00 O ATOM 703 CB SER A 44 23.128 -2.977 -0.021 1.00 0.00 C ATOM 704 OG SER A 44 23.201 -2.771 -1.429 1.00 0.00 O ATOM 0 H SER A 44 22.870 -5.411 -0.781 1.00 0.00 H new ATOM 0 HA SER A 44 25.052 -3.828 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 44 22.094 -3.173 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 44 23.433 -2.067 0.495 1.00 0.00 H new ATOM 0 HG SER A 44 22.622 -2.021 -1.680 1.00 0.00 H new ATOM 710 N THR A 45 24.780 -4.769 2.631 1.00 0.00 N ATOM 711 CA THR A 45 24.648 -5.121 4.035 1.00 0.00 C ATOM 712 C THR A 45 24.025 -3.963 4.818 1.00 0.00 C ATOM 713 O THR A 45 23.881 -2.860 4.293 1.00 0.00 O ATOM 714 CB THR A 45 26.028 -5.531 4.551 1.00 0.00 C ATOM 715 OG1 THR A 45 26.846 -4.391 4.300 1.00 0.00 O ATOM 716 CG2 THR A 45 26.664 -6.638 3.708 1.00 0.00 C ATOM 0 H THR A 45 25.739 -4.756 2.283 1.00 0.00 H new ATOM 0 HA THR A 45 23.971 -5.965 4.170 1.00 0.00 H new ATOM 0 HB THR A 45 25.943 -5.865 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 45 27.760 -4.570 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 45 27.642 -6.891 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 45 26.024 -7.520 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 45 26.779 -6.292 2.681 1.00 0.00 H new ATOM 724 N LEU A 46 23.674 -4.254 6.062 1.00 0.00 N ATOM 725 CA LEU A 46 23.070 -3.251 6.923 1.00 0.00 C ATOM 726 C LEU A 46 23.937 -1.990 6.915 1.00 0.00 C ATOM 727 O LEU A 46 23.504 -0.938 6.446 1.00 0.00 O ATOM 728 CB LEU A 46 22.828 -3.821 8.322 1.00 0.00 C ATOM 729 CG LEU A 46 21.637 -3.240 9.086 1.00 0.00 C ATOM 730 CD1 LEU A 46 20.417 -3.095 8.173 1.00 0.00 C ATOM 731 CD2 LEU A 46 21.325 -4.072 10.331 1.00 0.00 C ATOM 0 H LEU A 46 23.796 -5.170 6.494 1.00 0.00 H new ATOM 0 HA LEU A 46 22.088 -2.966 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 46 22.687 -4.898 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 46 23.728 -3.664 8.917 1.00 0.00 H new ATOM 0 HG LEU A 46 21.905 -2.240 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.585 -2.680 8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.659 -2.429 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.137 -4.073 7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.474 -3.637 10.856 1.00 0.00 H new ATOM 0 HD22 LEU A 46 21.085 -5.093 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 46 22.193 -4.079 10.991 1.00 0.00 H new ATOM 743 N ASP A 47 25.144 -2.137 7.439 1.00 0.00 N ATOM 744 CA ASP A 47 26.075 -1.023 7.498 1.00 0.00 C ATOM 745 C ASP A 47 26.069 -0.287 6.157 1.00 0.00 C ATOM 746 O ASP A 47 25.890 0.930 6.113 1.00 0.00 O ATOM 747 CB ASP A 47 27.501 -1.510 7.762 1.00 0.00 C ATOM 748 CG ASP A 47 28.017 -1.262 9.181 1.00 0.00 C ATOM 749 OD1 ASP A 47 27.676 -2.082 10.061 1.00 0.00 O ATOM 750 OD2 ASP A 47 28.740 -0.257 9.355 1.00 0.00 O ATOM 0 H ASP A 47 25.499 -3.011 7.827 1.00 0.00 H new ATOM 0 HA ASP A 47 25.762 -0.365 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 47 27.547 -2.579 7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.172 -1.020 7.057 1.00 0.00 H new ATOM 755 N GLU A 48 26.265 -1.055 5.095 1.00 0.00 N ATOM 756 CA GLU A 48 26.284 -0.491 3.756 1.00 0.00 C ATOM 757 C GLU A 48 24.998 0.297 3.494 1.00 0.00 C ATOM 758 O GLU A 48 25.045 1.421 2.997 1.00 0.00 O ATOM 759 CB GLU A 48 26.482 -1.583 2.704 1.00 0.00 C ATOM 760 CG GLU A 48 27.856 -1.464 2.042 1.00 0.00 C ATOM 761 CD GLU A 48 27.821 -1.992 0.606 1.00 0.00 C ATOM 762 OE1 GLU A 48 27.479 -1.187 -0.286 1.00 0.00 O ATOM 763 OE2 GLU A 48 28.137 -3.189 0.434 1.00 0.00 O ATOM 0 H GLU A 48 26.412 -2.064 5.135 1.00 0.00 H new ATOM 0 HA GLU A 48 27.128 0.194 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 48 26.382 -2.564 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 25.702 -1.509 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 48 28.175 -0.422 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 48 28.592 -2.022 2.621 1.00 0.00 H new ATOM 770 N LEU A 49 23.881 -0.324 3.840 1.00 0.00 N ATOM 771 CA LEU A 49 22.585 0.304 3.649 1.00 0.00 C ATOM 772 C LEU A 49 22.504 1.568 4.508 1.00 0.00 C ATOM 773 O LEU A 49 22.049 2.611 4.042 1.00 0.00 O ATOM 774 CB LEU A 49 21.459 -0.696 3.918 1.00 0.00 C ATOM 775 CG LEU A 49 20.286 -0.666 2.936 1.00 0.00 C ATOM 776 CD1 LEU A 49 20.495 -1.670 1.801 1.00 0.00 C ATOM 777 CD2 LEU A 49 18.958 -0.889 3.662 1.00 0.00 C ATOM 0 H LEU A 49 23.846 -1.256 4.252 1.00 0.00 H new ATOM 0 HA LEU A 49 22.462 0.615 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 49 21.883 -1.700 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 49 21.072 -0.516 4.921 1.00 0.00 H new ATOM 0 HG LEU A 49 20.244 0.325 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.647 -1.628 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.409 -1.423 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.578 -2.675 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 49 18.141 -0.863 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.973 -1.859 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 49 18.813 -0.104 4.404 1.00 0.00 H new ATOM 789 N PHE A 50 22.952 1.431 5.747 1.00 0.00 N ATOM 790 CA PHE A 50 22.935 2.549 6.676 1.00 0.00 C ATOM 791 C PHE A 50 23.777 3.713 6.148 1.00 0.00 C ATOM 792 O PHE A 50 23.299 4.843 6.068 1.00 0.00 O ATOM 793 CB PHE A 50 23.543 2.049 7.988 1.00 0.00 C ATOM 794 CG PHE A 50 23.453 3.054 9.138 1.00 0.00 C ATOM 795 CD1 PHE A 50 22.305 3.755 9.340 1.00 0.00 C ATOM 796 CD2 PHE A 50 24.520 3.246 9.959 1.00 0.00 C ATOM 797 CE1 PHE A 50 22.222 4.688 10.408 1.00 0.00 C ATOM 798 CE2 PHE A 50 24.437 4.179 11.026 1.00 0.00 C ATOM 799 CZ PHE A 50 23.289 4.880 11.228 1.00 0.00 C ATOM 0 H PHE A 50 23.329 0.564 6.130 1.00 0.00 H new ATOM 0 HA PHE A 50 21.914 2.906 6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 50 23.039 1.129 8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 50 24.590 1.798 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 50 21.457 3.602 8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 50 25.431 2.688 9.799 1.00 0.00 H new ATOM 0 HE1 PHE A 50 21.311 5.245 10.569 1.00 0.00 H new ATOM 0 HE2 PHE A 50 25.285 4.332 11.677 1.00 0.00 H new ATOM 0 HZ PHE A 50 23.225 5.589 12.040 1.00 0.00 H new ATOM 809 N GLU A 51 25.016 3.396 5.803 1.00 0.00 N ATOM 810 CA GLU A 51 25.929 4.401 5.285 1.00 0.00 C ATOM 811 C GLU A 51 25.474 4.869 3.902 1.00 0.00 C ATOM 812 O GLU A 51 25.531 6.059 3.596 1.00 0.00 O ATOM 813 CB GLU A 51 27.363 3.868 5.239 1.00 0.00 C ATOM 814 CG GLU A 51 28.239 4.562 6.283 1.00 0.00 C ATOM 815 CD GLU A 51 29.698 4.617 5.825 1.00 0.00 C ATOM 816 OE1 GLU A 51 30.380 3.581 5.977 1.00 0.00 O ATOM 817 OE2 GLU A 51 30.098 5.694 5.333 1.00 0.00 O ATOM 0 H GLU A 51 25.409 2.457 5.872 1.00 0.00 H new ATOM 0 HA GLU A 51 25.916 5.257 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.361 2.793 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.782 4.025 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.871 5.573 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.172 4.029 7.232 1.00 0.00 H new ATOM 824 N GLU A 52 25.031 3.910 3.103 1.00 0.00 N ATOM 825 CA GLU A 52 24.566 4.209 1.760 1.00 0.00 C ATOM 826 C GLU A 52 23.341 5.125 1.814 1.00 0.00 C ATOM 827 O GLU A 52 23.348 6.211 1.236 1.00 0.00 O ATOM 828 CB GLU A 52 24.256 2.925 0.988 1.00 0.00 C ATOM 829 CG GLU A 52 23.827 3.238 -0.447 1.00 0.00 C ATOM 830 CD GLU A 52 24.155 2.073 -1.384 1.00 0.00 C ATOM 831 OE1 GLU A 52 23.628 0.970 -1.122 1.00 0.00 O ATOM 832 OE2 GLU A 52 24.924 2.312 -2.340 1.00 0.00 O ATOM 0 H GLU A 52 24.984 2.924 3.360 1.00 0.00 H new ATOM 0 HA GLU A 52 25.363 4.730 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.136 2.282 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.465 2.373 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.756 3.441 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.331 4.140 -0.793 1.00 0.00 H new ATOM 839 N LEU A 53 22.320 4.654 2.513 1.00 0.00 N ATOM 840 CA LEU A 53 21.091 5.417 2.650 1.00 0.00 C ATOM 841 C LEU A 53 21.415 6.800 3.219 1.00 0.00 C ATOM 842 O LEU A 53 21.058 7.817 2.629 1.00 0.00 O ATOM 843 CB LEU A 53 20.065 4.637 3.476 1.00 0.00 C ATOM 844 CG LEU A 53 19.683 3.256 2.940 1.00 0.00 C ATOM 845 CD1 LEU A 53 19.280 2.318 4.079 1.00 0.00 C ATOM 846 CD2 LEU A 53 18.592 3.364 1.873 1.00 0.00 C ATOM 0 H LEU A 53 22.318 3.753 2.991 1.00 0.00 H new ATOM 0 HA LEU A 53 20.629 5.573 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 53 20.457 4.517 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.159 5.238 3.555 1.00 0.00 H new ATOM 0 HG LEU A 53 20.560 2.822 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.013 1.343 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.115 2.205 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.424 2.736 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.339 2.368 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.705 3.828 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.953 3.973 1.044 1.00 0.00 H new ATOM 858 N ASP A 54 22.089 6.792 4.360 1.00 0.00 N ATOM 859 CA ASP A 54 22.466 8.033 5.016 1.00 0.00 C ATOM 860 C ASP A 54 23.549 8.731 4.192 1.00 0.00 C ATOM 861 O ASP A 54 24.711 8.771 4.595 1.00 0.00 O ATOM 862 CB ASP A 54 23.030 7.768 6.413 1.00 0.00 C ATOM 863 CG ASP A 54 22.782 8.882 7.432 1.00 0.00 C ATOM 864 OD1 ASP A 54 23.216 10.019 7.146 1.00 0.00 O ATOM 865 OD2 ASP A 54 22.166 8.571 8.474 1.00 0.00 O ATOM 0 H ASP A 54 22.384 5.946 4.847 1.00 0.00 H new ATOM 0 HA ASP A 54 21.575 8.655 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.596 6.844 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.104 7.605 6.330 1.00 0.00 H new ATOM 870 N LYS A 55 23.131 9.264 3.053 1.00 0.00 N ATOM 871 CA LYS A 55 24.052 9.958 2.170 1.00 0.00 C ATOM 872 C LYS A 55 24.015 11.457 2.478 1.00 0.00 C ATOM 873 O LYS A 55 24.732 12.240 1.856 1.00 0.00 O ATOM 874 CB LYS A 55 23.747 9.623 0.708 1.00 0.00 C ATOM 875 CG LYS A 55 25.025 9.251 -0.047 1.00 0.00 C ATOM 876 CD LYS A 55 25.055 9.904 -1.430 1.00 0.00 C ATOM 877 CE LYS A 55 26.468 10.371 -1.786 1.00 0.00 C ATOM 878 NZ LYS A 55 26.833 11.567 -0.994 1.00 0.00 N ATOM 0 H LYS A 55 22.167 9.229 2.722 1.00 0.00 H new ATOM 0 HA LYS A 55 25.074 9.621 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.039 8.796 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.272 10.478 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.896 9.567 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 55 25.088 8.168 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.703 9.194 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.372 10.753 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 55 27.181 9.569 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.524 10.601 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 27.638 12.048 -1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 26.022 12.216 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.096 11.278 -0.030 1.00 0.00 H new ATOM 892 N ASN A 56 23.173 11.811 3.437 1.00 0.00 N ATOM 893 CA ASN A 56 23.033 13.201 3.835 1.00 0.00 C ATOM 894 C ASN A 56 24.104 13.539 4.875 1.00 0.00 C ATOM 895 O ASN A 56 24.082 14.618 5.465 1.00 0.00 O ATOM 896 CB ASN A 56 21.664 13.459 4.466 1.00 0.00 C ATOM 897 CG ASN A 56 21.569 12.817 5.852 1.00 0.00 C ATOM 898 OD1 ASN A 56 22.466 12.128 6.308 1.00 0.00 O ATOM 899 ND2 ASN A 56 20.435 13.082 6.494 1.00 0.00 N ATOM 0 H ASN A 56 22.580 11.159 3.951 1.00 0.00 H new ATOM 0 HA ASN A 56 23.141 13.819 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 56 21.493 14.533 4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.881 13.059 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.276 12.700 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.725 13.667 6.054 1.00 0.00 H new ATOM 906 N GLY A 57 25.016 12.597 5.067 1.00 0.00 N ATOM 907 CA GLY A 57 26.092 12.782 6.025 1.00 0.00 C ATOM 908 C GLY A 57 25.604 13.544 7.258 1.00 0.00 C ATOM 909 O GLY A 57 26.222 14.523 7.673 1.00 0.00 O ATOM 0 H GLY A 57 25.032 11.704 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 57 26.487 11.811 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 57 26.911 13.328 5.556 1.00 0.00 H new ATOM 913 N ASP A 58 24.499 13.065 7.810 1.00 0.00 N ATOM 914 CA ASP A 58 23.920 13.688 8.989 1.00 0.00 C ATOM 915 C ASP A 58 24.080 12.751 10.187 1.00 0.00 C ATOM 916 O ASP A 58 24.435 13.190 11.280 1.00 0.00 O ATOM 917 CB ASP A 58 22.426 13.955 8.793 1.00 0.00 C ATOM 918 CG ASP A 58 21.617 14.081 10.086 1.00 0.00 C ATOM 919 OD1 ASP A 58 22.165 14.669 11.043 1.00 0.00 O ATOM 920 OD2 ASP A 58 20.469 13.586 10.087 1.00 0.00 O ATOM 0 H ASP A 58 23.989 12.253 7.463 1.00 0.00 H new ATOM 0 HA ASP A 58 24.436 14.633 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.309 14.873 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.003 13.148 8.195 1.00 0.00 H new ATOM 925 N GLY A 59 23.812 11.477 9.941 1.00 0.00 N ATOM 926 CA GLY A 59 23.921 10.474 10.986 1.00 0.00 C ATOM 927 C GLY A 59 22.576 9.789 11.233 1.00 0.00 C ATOM 928 O GLY A 59 22.484 8.864 12.038 1.00 0.00 O ATOM 0 H GLY A 59 23.520 11.116 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.666 9.730 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 59 24.270 10.940 11.907 1.00 0.00 H new ATOM 932 N GLU A 60 21.565 10.269 10.524 1.00 0.00 N ATOM 933 CA GLU A 60 20.228 9.714 10.655 1.00 0.00 C ATOM 934 C GLU A 60 19.526 9.695 9.296 1.00 0.00 C ATOM 935 O GLU A 60 19.735 10.583 8.472 1.00 0.00 O ATOM 936 CB GLU A 60 19.409 10.496 11.684 1.00 0.00 C ATOM 937 CG GLU A 60 19.521 9.860 13.071 1.00 0.00 C ATOM 938 CD GLU A 60 20.368 10.726 14.005 1.00 0.00 C ATOM 939 OE1 GLU A 60 19.843 11.774 14.439 1.00 0.00 O ATOM 940 OE2 GLU A 60 21.522 10.321 14.263 1.00 0.00 O ATOM 0 H GLU A 60 21.645 11.036 9.857 1.00 0.00 H new ATOM 0 HA GLU A 60 20.315 8.688 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.758 11.528 11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.364 10.525 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.526 9.727 13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.966 8.869 12.985 1.00 0.00 H new ATOM 947 N VAL A 61 18.707 8.671 9.104 1.00 0.00 N ATOM 948 CA VAL A 61 17.972 8.524 7.859 1.00 0.00 C ATOM 949 C VAL A 61 16.636 9.260 7.970 1.00 0.00 C ATOM 950 O VAL A 61 16.243 9.679 9.057 1.00 0.00 O ATOM 951 CB VAL A 61 17.812 7.041 7.518 1.00 0.00 C ATOM 952 CG1 VAL A 61 16.941 6.855 6.274 1.00 0.00 C ATOM 953 CG2 VAL A 61 19.174 6.368 7.339 1.00 0.00 C ATOM 0 H VAL A 61 18.536 7.935 9.790 1.00 0.00 H new ATOM 0 HA VAL A 61 18.523 8.976 7.034 1.00 0.00 H new ATOM 0 HB VAL A 61 17.308 6.558 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.843 5.792 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.954 7.280 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.404 7.360 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.031 5.315 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.717 6.855 6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.746 6.454 8.263 1.00 0.00 H new ATOM 963 N SER A 62 15.974 9.394 6.830 1.00 0.00 N ATOM 964 CA SER A 62 14.690 10.073 6.786 1.00 0.00 C ATOM 965 C SER A 62 13.977 9.759 5.468 1.00 0.00 C ATOM 966 O SER A 62 14.575 9.192 4.555 1.00 0.00 O ATOM 967 CB SER A 62 14.859 11.584 6.950 1.00 0.00 C ATOM 968 OG SER A 62 16.184 11.933 7.341 1.00 0.00 O ATOM 0 H SER A 62 16.303 9.044 5.930 1.00 0.00 H new ATOM 0 HA SER A 62 14.084 9.711 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.616 12.080 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.153 11.949 7.696 1.00 0.00 H new ATOM 0 HG SER A 62 16.805 11.731 6.610 1.00 0.00 H new ATOM 974 N PHE A 63 12.710 10.141 5.412 1.00 0.00 N ATOM 975 CA PHE A 63 11.910 9.908 4.222 1.00 0.00 C ATOM 976 C PHE A 63 12.640 10.390 2.967 1.00 0.00 C ATOM 977 O PHE A 63 12.382 9.902 1.868 1.00 0.00 O ATOM 978 CB PHE A 63 10.618 10.711 4.387 1.00 0.00 C ATOM 979 CG PHE A 63 9.592 10.473 3.278 1.00 0.00 C ATOM 980 CD1 PHE A 63 9.242 9.204 2.935 1.00 0.00 C ATOM 981 CD2 PHE A 63 9.029 11.530 2.634 1.00 0.00 C ATOM 982 CE1 PHE A 63 8.290 8.983 1.906 1.00 0.00 C ATOM 983 CE2 PHE A 63 8.076 11.309 1.604 1.00 0.00 C ATOM 984 CZ PHE A 63 7.726 10.040 1.262 1.00 0.00 C ATOM 0 H PHE A 63 12.217 10.611 6.172 1.00 0.00 H new ATOM 0 HA PHE A 63 11.714 8.842 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 63 10.166 10.459 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.864 11.772 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.689 8.364 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 63 9.306 12.538 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.013 7.975 1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.629 12.149 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.001 9.872 0.480 1.00 0.00 H new ATOM 994 N GLU A 64 13.538 11.343 3.173 1.00 0.00 N ATOM 995 CA GLU A 64 14.307 11.897 2.072 1.00 0.00 C ATOM 996 C GLU A 64 15.296 10.858 1.540 1.00 0.00 C ATOM 997 O GLU A 64 15.248 10.494 0.366 1.00 0.00 O ATOM 998 CB GLU A 64 15.031 13.176 2.498 1.00 0.00 C ATOM 999 CG GLU A 64 14.282 13.878 3.632 1.00 0.00 C ATOM 1000 CD GLU A 64 12.769 13.813 3.413 1.00 0.00 C ATOM 1001 OE1 GLU A 64 12.364 13.868 2.232 1.00 0.00 O ATOM 1002 OE2 GLU A 64 12.052 13.710 4.432 1.00 0.00 O ATOM 0 H GLU A 64 13.750 11.745 4.086 1.00 0.00 H new ATOM 0 HA GLU A 64 13.618 12.159 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.044 12.935 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.120 13.849 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.536 13.411 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.600 14.919 3.693 1.00 0.00 H new ATOM 1009 N GLU A 65 16.170 10.410 2.429 1.00 0.00 N ATOM 1010 CA GLU A 65 17.169 9.420 2.064 1.00 0.00 C ATOM 1011 C GLU A 65 16.494 8.099 1.689 1.00 0.00 C ATOM 1012 O GLU A 65 17.013 7.344 0.868 1.00 0.00 O ATOM 1013 CB GLU A 65 18.180 9.218 3.194 1.00 0.00 C ATOM 1014 CG GLU A 65 18.931 10.516 3.496 1.00 0.00 C ATOM 1015 CD GLU A 65 19.099 10.714 5.004 1.00 0.00 C ATOM 1016 OE1 GLU A 65 20.123 10.225 5.530 1.00 0.00 O ATOM 1017 OE2 GLU A 65 18.201 11.350 5.597 1.00 0.00 O ATOM 0 H GLU A 65 16.207 10.715 3.402 1.00 0.00 H new ATOM 0 HA GLU A 65 17.715 9.787 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.664 8.875 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.890 8.439 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.910 10.494 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.388 11.361 3.073 1.00 0.00 H new ATOM 1024 N PHE A 66 15.347 7.860 2.308 1.00 0.00 N ATOM 1025 CA PHE A 66 14.597 6.643 2.049 1.00 0.00 C ATOM 1026 C PHE A 66 14.203 6.545 0.574 1.00 0.00 C ATOM 1027 O PHE A 66 14.203 5.457 -0.001 1.00 0.00 O ATOM 1028 CB PHE A 66 13.327 6.711 2.900 1.00 0.00 C ATOM 1029 CG PHE A 66 12.624 5.364 3.079 1.00 0.00 C ATOM 1030 CD1 PHE A 66 13.337 4.271 3.462 1.00 0.00 C ATOM 1031 CD2 PHE A 66 11.287 5.259 2.853 1.00 0.00 C ATOM 1032 CE1 PHE A 66 12.684 3.020 3.628 1.00 0.00 C ATOM 1033 CE2 PHE A 66 10.635 4.009 3.019 1.00 0.00 C ATOM 1034 CZ PHE A 66 11.347 2.916 3.402 1.00 0.00 C ATOM 0 H PHE A 66 14.919 8.488 2.988 1.00 0.00 H new ATOM 0 HA PHE A 66 15.205 5.772 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.581 7.110 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.632 7.414 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 66 14.399 4.354 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.721 6.127 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.249 2.152 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.573 3.926 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.851 1.965 3.527 1.00 0.00 H new ATOM 1044 N GLN A 67 13.877 7.695 0.004 1.00 0.00 N ATOM 1045 CA GLN A 67 13.482 7.753 -1.393 1.00 0.00 C ATOM 1046 C GLN A 67 14.591 7.186 -2.282 1.00 0.00 C ATOM 1047 O GLN A 67 14.351 6.848 -3.440 1.00 0.00 O ATOM 1048 CB GLN A 67 13.127 9.183 -1.805 1.00 0.00 C ATOM 1049 CG GLN A 67 12.008 9.745 -0.926 1.00 0.00 C ATOM 1050 CD GLN A 67 10.904 10.373 -1.778 1.00 0.00 C ATOM 1051 OE1 GLN A 67 11.087 10.689 -2.942 1.00 0.00 O ATOM 1052 NE2 GLN A 67 9.751 10.535 -1.136 1.00 0.00 N ATOM 0 H GLN A 67 13.878 8.595 0.484 1.00 0.00 H new ATOM 0 HA GLN A 67 12.589 7.141 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.010 9.818 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.816 9.198 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.589 8.948 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.416 10.492 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.666 10.249 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.952 10.946 -1.619 1.00 0.00 H new ATOM 1061 N VAL A 68 15.781 7.099 -1.706 1.00 0.00 N ATOM 1062 CA VAL A 68 16.927 6.578 -2.431 1.00 0.00 C ATOM 1063 C VAL A 68 16.797 5.060 -2.561 1.00 0.00 C ATOM 1064 O VAL A 68 17.181 4.484 -3.578 1.00 0.00 O ATOM 1065 CB VAL A 68 18.223 7.011 -1.742 1.00 0.00 C ATOM 1066 CG1 VAL A 68 19.447 6.532 -2.525 1.00 0.00 C ATOM 1067 CG2 VAL A 68 18.259 8.527 -1.543 1.00 0.00 C ATOM 0 H VAL A 68 15.976 7.381 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 68 16.959 6.988 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 68 18.251 6.543 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 68 20.355 6.853 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.434 5.444 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.426 6.957 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.191 8.807 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.196 9.023 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.416 8.833 -0.924 1.00 0.00 H new ATOM 1077 N LEU A 69 16.254 4.453 -1.516 1.00 0.00 N ATOM 1078 CA LEU A 69 16.068 3.012 -1.500 1.00 0.00 C ATOM 1079 C LEU A 69 14.857 2.649 -2.362 1.00 0.00 C ATOM 1080 O LEU A 69 14.848 1.609 -3.018 1.00 0.00 O ATOM 1081 CB LEU A 69 15.975 2.500 -0.061 1.00 0.00 C ATOM 1082 CG LEU A 69 16.386 1.043 0.160 1.00 0.00 C ATOM 1083 CD1 LEU A 69 17.772 0.769 -0.428 1.00 0.00 C ATOM 1084 CD2 LEU A 69 16.308 0.670 1.642 1.00 0.00 C ATOM 0 H LEU A 69 15.937 4.933 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 69 16.932 2.511 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.599 3.133 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.948 2.623 0.282 1.00 0.00 H new ATOM 0 HG LEU A 69 15.679 0.405 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.040 -0.274 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 69 17.759 0.970 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.506 1.416 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.605 -0.371 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.977 1.312 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.286 0.802 1.997 1.00 0.00 H new ATOM 1096 N VAL A 70 13.865 3.526 -2.331 1.00 0.00 N ATOM 1097 CA VAL A 70 12.652 3.310 -3.101 1.00 0.00 C ATOM 1098 C VAL A 70 13.022 3.010 -4.555 1.00 0.00 C ATOM 1099 O VAL A 70 12.252 2.381 -5.279 1.00 0.00 O ATOM 1100 CB VAL A 70 11.720 4.516 -2.959 1.00 0.00 C ATOM 1101 CG1 VAL A 70 10.781 4.628 -4.161 1.00 0.00 C ATOM 1102 CG2 VAL A 70 10.930 4.446 -1.650 1.00 0.00 C ATOM 0 H VAL A 70 13.876 4.387 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 70 12.107 2.447 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 70 12.336 5.415 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.130 5.493 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.368 4.746 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.175 3.725 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.275 5.314 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.330 3.536 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.622 4.438 -0.808 1.00 0.00 H new ATOM 1112 N LYS A 71 14.202 3.474 -4.939 1.00 0.00 N ATOM 1113 CA LYS A 71 14.685 3.263 -6.294 1.00 0.00 C ATOM 1114 C LYS A 71 15.032 1.785 -6.482 1.00 0.00 C ATOM 1115 O LYS A 71 14.684 1.186 -7.499 1.00 0.00 O ATOM 1116 CB LYS A 71 15.844 4.212 -6.604 1.00 0.00 C ATOM 1117 CG LYS A 71 15.666 4.866 -7.976 1.00 0.00 C ATOM 1118 CD LYS A 71 16.977 4.852 -8.764 1.00 0.00 C ATOM 1119 CE LYS A 71 17.785 6.125 -8.506 1.00 0.00 C ATOM 1120 NZ LYS A 71 18.788 6.328 -9.576 1.00 0.00 N ATOM 0 H LYS A 71 14.838 3.995 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 71 13.906 3.503 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.903 4.982 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.785 3.663 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.895 4.338 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.323 5.893 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.566 3.980 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.764 4.762 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.116 6.984 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.284 6.056 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.328 7.196 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.437 5.516 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.305 6.415 -10.493 1.00 0.00 H new ATOM 1134 N LYS A 72 15.715 1.239 -5.486 1.00 0.00 N ATOM 1135 CA LYS A 72 16.114 -0.157 -5.530 1.00 0.00 C ATOM 1136 C LYS A 72 14.874 -1.042 -5.387 1.00 0.00 C ATOM 1137 O LYS A 72 14.740 -2.046 -6.084 1.00 0.00 O ATOM 1138 CB LYS A 72 17.194 -0.439 -4.483 1.00 0.00 C ATOM 1139 CG LYS A 72 18.500 0.275 -4.838 1.00 0.00 C ATOM 1140 CD LYS A 72 19.170 -0.376 -6.049 1.00 0.00 C ATOM 1141 CE LYS A 72 20.693 -0.253 -5.966 1.00 0.00 C ATOM 1142 NZ LYS A 72 21.167 0.877 -6.794 1.00 0.00 N ATOM 0 H LYS A 72 16.002 1.738 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 72 16.566 -0.394 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.850 -0.110 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.369 -1.513 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 72 18.298 1.325 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.177 0.247 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.889 -1.428 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.813 0.096 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.996 -0.104 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.158 -1.179 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.202 0.946 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.894 0.719 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.738 1.761 -6.453 1.00 0.00 H new ATOM 1156 N ILE A 73 13.999 -0.637 -4.478 1.00 0.00 N ATOM 1157 CA ILE A 73 12.774 -1.381 -4.234 1.00 0.00 C ATOM 1158 C ILE A 73 11.798 -1.138 -5.387 1.00 0.00 C ATOM 1159 O ILE A 73 10.752 -1.780 -5.465 1.00 0.00 O ATOM 1160 CB ILE A 73 12.201 -1.033 -2.859 1.00 0.00 C ATOM 1161 CG1 ILE A 73 13.256 -1.207 -1.765 1.00 0.00 C ATOM 1162 CG2 ILE A 73 10.936 -1.845 -2.571 1.00 0.00 C ATOM 1163 CD1 ILE A 73 13.122 -0.121 -0.696 1.00 0.00 C ATOM 0 H ILE A 73 14.114 0.197 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 73 12.977 -2.452 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 73 11.914 0.019 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.150 -2.190 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.252 -1.167 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.549 -1.579 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.183 -1.627 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.174 -2.909 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.884 -0.268 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.253 0.859 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.134 -0.179 -0.240 1.00 0.00 H new ATOM 1175 N SER A 74 12.175 -0.210 -6.254 1.00 0.00 N ATOM 1176 CA SER A 74 11.346 0.125 -7.400 1.00 0.00 C ATOM 1177 C SER A 74 11.722 -0.755 -8.593 1.00 0.00 C ATOM 1178 O SER A 74 10.849 -1.218 -9.327 1.00 0.00 O ATOM 1179 CB SER A 74 11.484 1.604 -7.766 1.00 0.00 C ATOM 1180 OG SER A 74 10.447 2.395 -7.193 1.00 0.00 O ATOM 0 H SER A 74 13.043 0.321 -6.186 1.00 0.00 H new ATOM 0 HA SER A 74 10.305 -0.060 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.451 1.973 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.465 1.712 -8.850 1.00 0.00 H new ATOM 0 HG SER A 74 10.732 2.720 -6.313 1.00 0.00 H new ATOM 1186 N GLN A 75 13.021 -0.960 -8.751 1.00 0.00 N ATOM 1187 CA GLN A 75 13.523 -1.776 -9.843 1.00 0.00 C ATOM 1188 C GLN A 75 13.170 -3.247 -9.612 1.00 0.00 C ATOM 1189 O GLN A 75 12.927 -3.987 -10.564 1.00 0.00 O ATOM 1190 CB GLN A 75 15.033 -1.595 -10.014 1.00 0.00 C ATOM 1191 CG GLN A 75 15.397 -1.393 -11.486 1.00 0.00 C ATOM 1192 CD GLN A 75 15.326 0.087 -11.870 1.00 0.00 C ATOM 1193 OE1 GLN A 75 14.642 0.481 -12.800 1.00 0.00 O ATOM 1194 NE2 GLN A 75 16.070 0.881 -11.105 1.00 0.00 N ATOM 0 H GLN A 75 13.742 -0.575 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 75 13.044 -1.448 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.368 -0.737 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.554 -2.469 -9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.402 -1.773 -11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.718 -1.969 -12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.619 0.485 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.091 1.885 -11.281 1.00 0.00 H new