USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 563 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 6 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.47) USER MOD Single : A 7 CYS SG : rot 180:sc=-0.00588 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.068) USER MOD Single : A 74 THR OG1 : rot 82:sc= 0.645 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -119:sc= 0.481 USER MOD Single : A 96 SER OG : rot 108:sc= 0.893 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 11.642 1.140 -18.865 1.00 1.00 N ATOM 47 CA GLU A 4 10.850 2.092 -18.095 1.00 1.00 C ATOM 48 C GLU A 4 9.529 2.383 -18.801 1.00 1.00 C ATOM 49 O GLU A 4 8.473 2.422 -18.171 1.00 1.00 O ATOM 50 CB GLU A 4 11.631 3.394 -17.909 1.00 1.00 C ATOM 51 CG GLU A 4 10.981 4.224 -16.800 1.00 1.00 C ATOM 52 CD GLU A 4 11.789 5.493 -16.556 1.00 1.00 C ATOM 53 OE1 GLU A 4 12.886 5.382 -16.033 1.00 1.00 O ATOM 54 OE2 GLU A 4 11.297 6.558 -16.890 1.00 1.00 O ATOM 0 HA GLU A 4 10.639 1.655 -17.119 1.00 1.00 H new ATOM 0 HB2 GLU A 4 12.668 3.175 -17.654 1.00 1.00 H new ATOM 0 HB3 GLU A 4 11.644 3.959 -18.841 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.959 4.482 -17.079 1.00 1.00 H new ATOM 0 HG3 GLU A 4 10.923 3.638 -15.883 1.00 1.00 H new ATOM 61 N LEU A 5 9.598 2.589 -20.113 1.00 1.00 N ATOM 62 CA LEU A 5 8.402 2.876 -20.894 1.00 1.00 C ATOM 63 C LEU A 5 7.502 1.647 -20.971 1.00 1.00 C ATOM 64 O LEU A 5 6.290 1.738 -20.779 1.00 1.00 O ATOM 65 CB LEU A 5 8.793 3.312 -22.308 1.00 1.00 C ATOM 66 CG LEU A 5 9.554 4.636 -22.240 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.664 4.642 -23.291 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.589 5.792 -22.515 1.00 1.00 C ATOM 0 H LEU A 5 10.463 2.563 -20.653 1.00 1.00 H new ATOM 0 HA LEU A 5 7.856 3.681 -20.402 1.00 1.00 H new ATOM 0 HB2 LEU A 5 9.412 2.548 -22.778 1.00 1.00 H new ATOM 0 HB3 LEU A 5 7.902 3.424 -22.925 1.00 1.00 H new ATOM 0 HG LEU A 5 9.991 4.752 -21.248 1.00 1.00 H new ATOM 0 HD11 LEU A 5 11.206 5.586 -23.242 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.352 3.818 -23.099 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.227 4.526 -24.283 1.00 1.00 H new ATOM 0 HD21 LEU A 5 9.130 6.737 -22.467 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.153 5.674 -23.507 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.796 5.790 -21.767 1.00 1.00 H new ATOM 80 N GLN A 6 8.105 0.496 -21.252 1.00 1.00 N ATOM 81 CA GLN A 6 7.348 -0.747 -21.351 1.00 1.00 C ATOM 82 C GLN A 6 6.582 -1.013 -20.060 1.00 1.00 C ATOM 83 O GLN A 6 5.421 -1.419 -20.087 1.00 1.00 O ATOM 84 CB GLN A 6 8.296 -1.915 -21.634 1.00 1.00 C ATOM 85 CG GLN A 6 8.740 -1.870 -23.097 1.00 1.00 C ATOM 86 CD GLN A 6 10.012 -2.692 -23.281 1.00 1.00 C ATOM 87 OE1 GLN A 6 10.963 -2.544 -22.514 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.085 -3.556 -24.256 1.00 1.00 N ATOM 0 H GLN A 6 9.107 0.398 -21.414 1.00 1.00 H new ATOM 0 HA GLN A 6 6.635 -0.651 -22.170 1.00 1.00 H new ATOM 0 HB2 GLN A 6 9.164 -1.859 -20.978 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.797 -2.861 -21.423 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.949 -2.260 -23.738 1.00 1.00 H new ATOM 0 HG3 GLN A 6 8.917 -0.838 -23.401 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.296 -3.677 -24.890 1.00 1.00 H new ATOM 0 HE22 GLN A 6 10.932 -4.111 -24.384 1.00 1.00 H new ATOM 97 N CYS A 7 7.241 -0.780 -18.929 1.00 1.00 N ATOM 98 CA CYS A 7 6.612 -0.998 -17.631 1.00 1.00 C ATOM 99 C CYS A 7 5.213 -0.390 -17.606 1.00 1.00 C ATOM 100 O CYS A 7 4.273 -0.995 -17.092 1.00 1.00 O ATOM 101 CB CYS A 7 7.464 -0.371 -16.526 1.00 1.00 C ATOM 102 SG CYS A 7 6.387 0.446 -15.323 1.00 1.00 S ATOM 0 H CYS A 7 8.203 -0.443 -18.885 1.00 1.00 H new ATOM 0 HA CYS A 7 6.532 -2.072 -17.462 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.061 -1.138 -16.033 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.161 0.349 -16.954 1.00 1.00 H new ATOM 0 HG CYS A 7 7.111 0.977 -14.383 1.00 1.00 H new ATOM 107 N ILE A 8 5.084 0.810 -18.162 1.00 1.00 N ATOM 108 CA ILE A 8 3.794 1.490 -18.196 1.00 1.00 C ATOM 109 C ILE A 8 2.838 0.772 -19.144 1.00 1.00 C ATOM 110 O ILE A 8 1.663 0.581 -18.828 1.00 1.00 O ATOM 111 CB ILE A 8 3.979 2.938 -18.655 1.00 1.00 C ATOM 112 CG1 ILE A 8 4.680 3.734 -17.552 1.00 1.00 C ATOM 113 CG2 ILE A 8 2.610 3.561 -18.942 1.00 1.00 C ATOM 114 CD1 ILE A 8 5.143 5.082 -18.111 1.00 1.00 C ATOM 0 H ILE A 8 5.850 1.328 -18.592 1.00 1.00 H new ATOM 0 HA ILE A 8 3.370 1.479 -17.192 1.00 1.00 H new ATOM 0 HB ILE A 8 4.584 2.959 -19.561 1.00 1.00 H new ATOM 0 HG12 ILE A 8 4.001 3.890 -16.714 1.00 1.00 H new ATOM 0 HG13 ILE A 8 5.534 3.174 -17.171 1.00 1.00 H new ATOM 0 HG21 ILE A 8 2.741 4.593 -19.269 1.00 1.00 H new ATOM 0 HG22 ILE A 8 2.109 2.993 -19.726 1.00 1.00 H new ATOM 0 HG23 ILE A 8 2.004 3.542 -18.036 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.642 5.649 -17.326 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.837 4.915 -18.935 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.280 5.642 -18.471 1.00 1.00 H new ATOM 126 N ARG A 9 3.347 0.378 -20.306 1.00 1.00 N ATOM 127 CA ARG A 9 2.528 -0.318 -21.292 1.00 1.00 C ATOM 128 C ARG A 9 1.958 -1.604 -20.702 1.00 1.00 C ATOM 129 O ARG A 9 0.818 -1.976 -20.981 1.00 1.00 O ATOM 130 CB ARG A 9 3.369 -0.655 -22.526 1.00 1.00 C ATOM 131 CG ARG A 9 3.742 0.637 -23.255 1.00 1.00 C ATOM 132 CD ARG A 9 4.624 0.303 -24.461 1.00 1.00 C ATOM 133 NE ARG A 9 4.160 1.025 -25.641 1.00 1.00 N ATOM 134 CZ ARG A 9 3.178 0.545 -26.397 1.00 1.00 C ATOM 135 NH1 ARG A 9 2.605 -0.583 -26.084 1.00 1.00 N ATOM 136 NH2 ARG A 9 2.788 1.205 -27.455 1.00 1.00 N ATOM 0 H ARG A 9 4.316 0.527 -20.587 1.00 1.00 H new ATOM 0 HA ARG A 9 1.705 0.336 -21.579 1.00 1.00 H new ATOM 0 HB2 ARG A 9 4.270 -1.192 -22.230 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.810 -1.313 -23.192 1.00 1.00 H new ATOM 0 HG2 ARG A 9 2.841 1.156 -23.582 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.270 1.310 -22.579 1.00 1.00 H new ATOM 0 HD2 ARG A 9 5.660 0.568 -24.248 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.602 -0.770 -24.651 1.00 1.00 H new ATOM 0 HE ARG A 9 4.596 1.913 -25.890 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.910 -1.098 -25.258 1.00 1.00 H new ATOM 0 HH12 ARG A 9 1.851 -0.951 -26.665 1.00 1.00 H new ATOM 0 HH21 ARG A 9 3.237 2.087 -27.700 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.034 0.838 -28.036 1.00 1.00 H new ATOM 150 N GLU A 10 2.760 -2.279 -19.885 1.00 1.00 N ATOM 151 CA GLU A 10 2.328 -3.523 -19.259 1.00 1.00 C ATOM 152 C GLU A 10 1.223 -3.261 -18.242 1.00 1.00 C ATOM 153 O GLU A 10 0.312 -4.072 -18.079 1.00 1.00 O ATOM 154 CB GLU A 10 3.514 -4.197 -18.565 1.00 1.00 C ATOM 155 CG GLU A 10 4.574 -4.564 -19.604 1.00 1.00 C ATOM 156 CD GLU A 10 4.555 -6.067 -19.860 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.689 -6.514 -20.593 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.409 -6.750 -19.318 1.00 1.00 O ATOM 0 H GLU A 10 3.707 -1.988 -19.642 1.00 1.00 H new ATOM 0 HA GLU A 10 1.939 -4.180 -20.036 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.939 -3.528 -17.817 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.180 -5.092 -18.039 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.386 -4.026 -20.533 1.00 1.00 H new ATOM 0 HG3 GLU A 10 5.560 -4.259 -19.253 1.00 1.00 H new ATOM 165 N CYS A 11 1.310 -2.123 -17.559 1.00 1.00 N ATOM 166 CA CYS A 11 0.309 -1.768 -16.560 1.00 1.00 C ATOM 167 C CYS A 11 -0.935 -1.192 -17.227 1.00 1.00 C ATOM 168 O CYS A 11 -2.059 -1.453 -16.797 1.00 1.00 O ATOM 169 CB CYS A 11 0.888 -0.742 -15.584 1.00 1.00 C ATOM 170 SG CYS A 11 -0.125 -0.699 -14.084 1.00 1.00 S ATOM 0 H CYS A 11 2.056 -1.437 -17.678 1.00 1.00 H new ATOM 0 HA CYS A 11 0.030 -2.671 -16.017 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.917 -1.002 -15.334 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.912 0.244 -16.048 1.00 1.00 H new ATOM 0 HG CYS A 11 0.367 0.171 -13.253 1.00 1.00 H new ATOM 175 N ARG A 12 -0.726 -0.407 -18.280 1.00 1.00 N ATOM 176 CA ARG A 12 -1.841 0.199 -18.999 1.00 1.00 C ATOM 177 C ARG A 12 -2.783 -0.875 -19.533 1.00 1.00 C ATOM 178 O ARG A 12 -4.003 -0.716 -19.504 1.00 1.00 O ATOM 179 CB ARG A 12 -1.314 1.043 -20.162 1.00 1.00 C ATOM 180 CG ARG A 12 -1.812 2.482 -20.017 1.00 1.00 C ATOM 181 CD ARG A 12 -1.253 3.333 -21.157 1.00 1.00 C ATOM 182 NE ARG A 12 -2.126 4.473 -21.412 1.00 1.00 N ATOM 183 CZ ARG A 12 -3.186 4.364 -22.206 1.00 1.00 C ATOM 184 NH1 ARG A 12 -3.461 3.222 -22.774 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.953 5.399 -22.416 1.00 1.00 N ATOM 0 H ARG A 12 0.196 -0.177 -18.651 1.00 1.00 H new ATOM 0 HA ARG A 12 -2.392 0.836 -18.307 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -0.224 1.024 -20.174 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -1.651 0.625 -21.110 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -2.902 2.504 -20.033 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -1.499 2.891 -19.056 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -0.252 3.682 -20.902 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -1.160 2.729 -22.059 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.919 5.370 -20.973 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -2.862 2.413 -22.609 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -4.275 3.138 -23.383 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.739 6.291 -21.971 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -4.767 5.316 -23.025 1.00 1.00 H new ATOM 199 N LEU A 13 -2.208 -1.969 -20.020 1.00 1.00 N ATOM 200 CA LEU A 13 -3.006 -3.065 -20.558 1.00 1.00 C ATOM 201 C LEU A 13 -3.918 -3.639 -19.479 1.00 1.00 C ATOM 202 O LEU A 13 -5.089 -3.927 -19.730 1.00 1.00 O ATOM 203 CB LEU A 13 -2.084 -4.165 -21.095 1.00 1.00 C ATOM 204 CG LEU A 13 -2.910 -5.231 -21.830 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.557 -4.629 -23.084 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.992 -6.384 -22.240 1.00 1.00 C ATOM 0 H LEU A 13 -1.200 -2.120 -20.054 1.00 1.00 H new ATOM 0 HA LEU A 13 -3.623 -2.681 -21.371 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.346 -3.734 -21.772 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.533 -4.623 -20.273 1.00 1.00 H new ATOM 0 HG LEU A 13 -3.694 -5.595 -21.166 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -4.140 -5.395 -23.596 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -4.212 -3.806 -22.796 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.780 -4.257 -23.752 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.573 -7.144 -22.762 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -1.209 -6.009 -22.899 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.538 -6.822 -21.351 1.00 1.00 H new ATOM 218 N ALA A 14 -3.374 -3.805 -18.277 1.00 1.00 N ATOM 219 CA ALA A 14 -4.149 -4.346 -17.167 1.00 1.00 C ATOM 220 C ALA A 14 -5.158 -3.317 -16.665 1.00 1.00 C ATOM 221 O ALA A 14 -6.225 -3.672 -16.168 1.00 1.00 O ATOM 222 CB ALA A 14 -3.214 -4.746 -16.024 1.00 1.00 C ATOM 0 H ALA A 14 -2.407 -3.575 -18.048 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.689 -5.225 -17.520 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -3.800 -5.149 -15.198 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -2.513 -5.503 -16.375 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -2.661 -3.871 -15.683 1.00 1.00 H new ATOM 228 N GLN A 15 -4.810 -2.041 -16.802 1.00 1.00 N ATOM 229 CA GLN A 15 -5.695 -0.969 -16.361 1.00 1.00 C ATOM 230 C GLN A 15 -6.934 -0.898 -17.247 1.00 1.00 C ATOM 231 O GLN A 15 -8.028 -0.589 -16.777 1.00 1.00 O ATOM 232 CB GLN A 15 -4.954 0.370 -16.405 1.00 1.00 C ATOM 233 CG GLN A 15 -3.764 0.327 -15.444 1.00 1.00 C ATOM 234 CD GLN A 15 -3.990 1.301 -14.293 1.00 1.00 C ATOM 235 OE1 GLN A 15 -4.863 1.080 -13.455 1.00 1.00 O ATOM 236 NE2 GLN A 15 -3.250 2.371 -14.200 1.00 1.00 N ATOM 0 H GLN A 15 -3.930 -1.726 -17.211 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.007 -1.178 -15.338 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.609 0.574 -17.419 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.629 1.180 -16.129 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -3.635 -0.684 -15.056 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -2.847 0.584 -15.975 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -2.527 2.553 -14.896 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -3.395 3.026 -13.432 1.00 1.00 H new ATOM 598 N ALA A 45 5.901 -10.183 -5.492 1.00 1.00 N ATOM 599 CA ALA A 45 7.305 -10.339 -5.859 1.00 1.00 C ATOM 600 C ALA A 45 8.155 -9.235 -5.236 1.00 1.00 C ATOM 601 O ALA A 45 9.343 -9.433 -4.975 1.00 1.00 O ATOM 602 CB ALA A 45 7.452 -10.304 -7.380 1.00 1.00 C ATOM 0 HA ALA A 45 7.653 -11.300 -5.481 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.502 -10.421 -7.647 1.00 1.00 H new ATOM 0 HB2 ALA A 45 6.873 -11.116 -7.820 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.085 -9.350 -7.759 1.00 1.00 H new ATOM 608 N ILE A 46 7.545 -8.074 -5.004 1.00 1.00 N ATOM 609 CA ILE A 46 8.261 -6.944 -4.415 1.00 1.00 C ATOM 610 C ILE A 46 7.759 -6.664 -3.001 1.00 1.00 C ATOM 611 O ILE A 46 8.481 -6.109 -2.173 1.00 1.00 O ATOM 612 CB ILE A 46 8.066 -5.698 -5.280 1.00 1.00 C ATOM 613 CG1 ILE A 46 6.573 -5.503 -5.563 1.00 1.00 C ATOM 614 CG2 ILE A 46 8.817 -5.870 -6.601 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.342 -4.118 -6.167 1.00 1.00 C ATOM 0 H ILE A 46 6.563 -7.892 -5.213 1.00 1.00 H new ATOM 0 HA ILE A 46 9.320 -7.196 -4.368 1.00 1.00 H new ATOM 0 HB ILE A 46 8.454 -4.826 -4.754 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.219 -6.273 -6.248 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.001 -5.609 -4.641 1.00 1.00 H new ATOM 0 HG21 ILE A 46 8.678 -4.982 -7.217 1.00 1.00 H new ATOM 0 HG22 ILE A 46 9.879 -6.009 -6.400 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.430 -6.742 -7.129 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.279 -3.981 -6.368 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.680 -3.355 -5.466 1.00 1.00 H new ATOM 0 HD13 ILE A 46 6.901 -4.029 -7.098 1.00 1.00 H new ATOM 627 N ALA A 47 6.517 -7.048 -2.732 1.00 1.00 N ATOM 628 CA ALA A 47 5.926 -6.833 -1.418 1.00 1.00 C ATOM 629 C ALA A 47 6.653 -7.651 -0.354 1.00 1.00 C ATOM 630 O ALA A 47 6.591 -7.336 0.834 1.00 1.00 O ATOM 631 CB ALA A 47 4.447 -7.223 -1.441 1.00 1.00 C ATOM 0 H ALA A 47 5.902 -7.508 -3.403 1.00 1.00 H new ATOM 0 HA ALA A 47 6.022 -5.776 -1.170 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.012 -7.059 -0.455 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.921 -6.613 -2.175 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.352 -8.275 -1.709 1.00 1.00 H new ATOM 637 N ASN A 48 7.342 -8.702 -0.789 1.00 1.00 N ATOM 638 CA ASN A 48 8.077 -9.557 0.134 1.00 1.00 C ATOM 639 C ASN A 48 9.441 -8.953 0.422 1.00 1.00 C ATOM 640 O ASN A 48 10.155 -9.393 1.322 1.00 1.00 O ATOM 641 CB ASN A 48 8.249 -10.953 -0.468 1.00 1.00 C ATOM 642 CG ASN A 48 7.153 -11.882 0.043 1.00 1.00 C ATOM 643 OD1 ASN A 48 7.218 -12.356 1.179 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.146 -12.176 -0.733 1.00 1.00 N ATOM 0 H ASN A 48 7.406 -8.980 -1.768 1.00 1.00 H new ATOM 0 HA ASN A 48 7.515 -9.637 1.064 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.210 -10.896 -1.556 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.228 -11.353 -0.204 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.410 -12.799 -0.400 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.094 -11.783 -1.673 1.00 1.00 H new ATOM 651 N PHE A 49 9.793 -7.946 -0.364 1.00 1.00 N ATOM 652 CA PHE A 49 11.074 -7.280 -0.211 1.00 1.00 C ATOM 653 C PHE A 49 10.940 -6.047 0.680 1.00 1.00 C ATOM 654 O PHE A 49 11.828 -5.195 0.718 1.00 1.00 O ATOM 655 CB PHE A 49 11.601 -6.879 -1.585 1.00 1.00 C ATOM 656 CG PHE A 49 12.302 -8.059 -2.215 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.559 -9.030 -2.898 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.693 -8.185 -2.115 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.206 -10.126 -3.480 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.340 -9.282 -2.697 1.00 1.00 C ATOM 661 CZ PHE A 49 13.597 -10.252 -3.378 1.00 1.00 C ATOM 0 H PHE A 49 9.209 -7.574 -1.113 1.00 1.00 H new ATOM 0 HA PHE A 49 11.775 -7.967 0.264 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.779 -6.548 -2.220 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.290 -6.039 -1.492 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.486 -8.933 -2.976 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.267 -7.436 -1.589 1.00 1.00 H new ATOM 0 HE1 PHE A 49 11.633 -10.874 -4.007 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.413 -9.379 -2.620 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.096 -11.099 -3.825 1.00 1.00 H new ATOM 671 N LEU A 50 9.827 -5.966 1.401 1.00 1.00 N ATOM 672 CA LEU A 50 9.580 -4.841 2.299 1.00 1.00 C ATOM 673 C LEU A 50 8.899 -5.333 3.576 1.00 1.00 C ATOM 674 O LEU A 50 7.730 -5.718 3.559 1.00 1.00 O ATOM 675 CB LEU A 50 8.693 -3.793 1.608 1.00 1.00 C ATOM 676 CG LEU A 50 9.520 -2.900 0.664 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.974 -3.017 -0.761 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.403 -1.444 1.123 1.00 1.00 C ATOM 0 H LEU A 50 9.083 -6.663 1.382 1.00 1.00 H new ATOM 0 HA LEU A 50 10.535 -4.382 2.555 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.906 -4.294 1.043 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.202 -3.175 2.360 1.00 1.00 H new ATOM 0 HG LEU A 50 10.563 -3.217 0.684 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.560 -2.385 -1.428 1.00 1.00 H new ATOM 0 HD12 LEU A 50 9.040 -4.053 -1.092 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.932 -2.696 -0.779 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.986 -0.805 0.459 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.358 -1.137 1.096 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.782 -1.352 2.141 1.00 1.00 H new ATOM 690 N GLU A 51 9.648 -5.332 4.674 1.00 1.00 N ATOM 691 CA GLU A 51 9.125 -5.795 5.958 1.00 1.00 C ATOM 692 C GLU A 51 7.785 -5.121 6.286 1.00 1.00 C ATOM 693 O GLU A 51 7.510 -4.022 5.804 1.00 1.00 O ATOM 694 CB GLU A 51 10.134 -5.483 7.066 1.00 1.00 C ATOM 695 CG GLU A 51 11.125 -6.642 7.194 1.00 1.00 C ATOM 696 CD GLU A 51 10.446 -7.830 7.868 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.480 -7.893 9.085 1.00 1.00 O ATOM 698 OE2 GLU A 51 9.890 -8.650 7.156 1.00 1.00 O ATOM 0 H GLU A 51 10.618 -5.017 4.702 1.00 1.00 H new ATOM 0 HA GLU A 51 8.963 -6.871 5.892 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.666 -4.559 6.839 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.615 -5.328 8.012 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.490 -6.931 6.208 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.992 -6.329 7.776 1.00 1.00 H new ATOM 705 N PRO A 52 6.954 -5.739 7.104 1.00 1.00 N ATOM 706 CA PRO A 52 5.639 -5.146 7.491 1.00 1.00 C ATOM 707 C PRO A 52 5.788 -3.729 8.041 1.00 1.00 C ATOM 708 O PRO A 52 5.067 -2.817 7.638 1.00 1.00 O ATOM 709 CB PRO A 52 5.096 -6.070 8.582 1.00 1.00 C ATOM 710 CG PRO A 52 5.888 -7.334 8.521 1.00 1.00 C ATOM 711 CD PRO A 52 7.169 -7.056 7.734 1.00 1.00 C ATOM 0 HA PRO A 52 4.978 -5.068 6.627 1.00 1.00 H new ATOM 0 HB2 PRO A 52 5.189 -5.604 9.563 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.036 -6.271 8.424 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.127 -7.682 9.526 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.309 -8.123 8.040 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.040 -7.042 8.390 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.347 -7.827 6.985 1.00 1.00 H new ATOM 719 N GLN A 53 6.725 -3.555 8.969 1.00 1.00 N ATOM 720 CA GLN A 53 6.953 -2.247 9.574 1.00 1.00 C ATOM 721 C GLN A 53 7.353 -1.235 8.509 1.00 1.00 C ATOM 722 O GLN A 53 6.869 -0.104 8.496 1.00 1.00 O ATOM 723 CB GLN A 53 8.054 -2.345 10.633 1.00 1.00 C ATOM 724 CG GLN A 53 7.577 -1.688 11.929 1.00 1.00 C ATOM 725 CD GLN A 53 6.472 -2.525 12.563 1.00 1.00 C ATOM 726 OE1 GLN A 53 6.297 -3.693 12.214 1.00 1.00 O ATOM 727 NE2 GLN A 53 5.709 -1.994 13.480 1.00 1.00 N ATOM 0 H GLN A 53 7.334 -4.296 9.316 1.00 1.00 H new ATOM 0 HA GLN A 53 6.028 -1.916 10.047 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.307 -3.390 10.814 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.960 -1.855 10.277 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.411 -1.587 12.623 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.210 -0.683 11.723 1.00 1.00 H new ATOM 0 HE21 GLN A 53 5.855 -1.026 13.768 1.00 1.00 H new ATOM 0 HE22 GLN A 53 4.967 -2.547 13.909 1.00 1.00 H new ATOM 736 N ALA A 54 8.236 -1.654 7.612 1.00 1.00 N ATOM 737 CA ALA A 54 8.690 -0.782 6.538 1.00 1.00 C ATOM 738 C ALA A 54 7.509 -0.365 5.673 1.00 1.00 C ATOM 739 O ALA A 54 7.511 0.713 5.077 1.00 1.00 O ATOM 740 CB ALA A 54 9.731 -1.501 5.679 1.00 1.00 C ATOM 0 H ALA A 54 8.650 -2.586 7.607 1.00 1.00 H new ATOM 0 HA ALA A 54 9.145 0.106 6.976 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.063 -0.839 4.879 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.584 -1.779 6.298 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.289 -2.399 5.247 1.00 1.00 H new ATOM 746 N LEU A 55 6.502 -1.228 5.607 1.00 1.00 N ATOM 747 CA LEU A 55 5.315 -0.943 4.807 1.00 1.00 C ATOM 748 C LEU A 55 4.584 0.282 5.349 1.00 1.00 C ATOM 749 O LEU A 55 4.186 1.168 4.592 1.00 1.00 O ATOM 750 CB LEU A 55 4.373 -2.148 4.822 1.00 1.00 C ATOM 751 CG LEU A 55 3.965 -2.500 3.391 1.00 1.00 C ATOM 752 CD1 LEU A 55 5.161 -3.105 2.649 1.00 1.00 C ATOM 753 CD2 LEU A 55 2.821 -3.516 3.424 1.00 1.00 C ATOM 0 H LEU A 55 6.482 -2.124 6.093 1.00 1.00 H new ATOM 0 HA LEU A 55 5.631 -0.741 3.783 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.865 -3.001 5.291 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.488 -1.923 5.418 1.00 1.00 H new ATOM 0 HG LEU A 55 3.638 -1.597 2.875 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.868 -3.355 1.629 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.977 -2.383 2.625 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.490 -4.008 3.164 1.00 1.00 H new ATOM 0 HD21 LEU A 55 2.529 -3.768 2.405 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.150 -4.418 3.941 1.00 1.00 H new ATOM 0 HD23 LEU A 55 1.968 -3.087 3.950 1.00 1.00 H new ATOM 765 N GLU A 56 4.413 0.325 6.666 1.00 1.00 N ATOM 766 CA GLU A 56 3.730 1.445 7.303 1.00 1.00 C ATOM 767 C GLU A 56 4.507 2.738 7.086 1.00 1.00 C ATOM 768 O GLU A 56 3.920 3.810 6.935 1.00 1.00 O ATOM 769 CB GLU A 56 3.580 1.181 8.801 1.00 1.00 C ATOM 770 CG GLU A 56 2.477 2.074 9.369 1.00 1.00 C ATOM 771 CD GLU A 56 2.847 2.532 10.776 1.00 1.00 C ATOM 772 OE1 GLU A 56 3.528 1.787 11.461 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.443 3.622 11.148 1.00 1.00 O ATOM 0 H GLU A 56 4.736 -0.398 7.310 1.00 1.00 H new ATOM 0 HA GLU A 56 2.743 1.549 6.853 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.338 0.132 8.974 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.522 1.379 9.312 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.330 2.940 8.723 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.533 1.530 9.392 1.00 1.00 H new ATOM 780 N ARG A 57 5.831 2.631 7.076 1.00 1.00 N ATOM 781 CA ARG A 57 6.683 3.796 6.883 1.00 1.00 C ATOM 782 C ARG A 57 6.377 4.483 5.554 1.00 1.00 C ATOM 783 O ARG A 57 6.279 5.708 5.491 1.00 1.00 O ATOM 784 CB ARG A 57 8.152 3.373 6.915 1.00 1.00 C ATOM 785 CG ARG A 57 8.838 3.993 8.135 1.00 1.00 C ATOM 786 CD ARG A 57 8.890 5.513 7.973 1.00 1.00 C ATOM 787 NE ARG A 57 8.232 6.162 9.102 1.00 1.00 N ATOM 788 CZ ARG A 57 8.470 7.436 9.394 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.312 8.126 8.675 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.860 7.998 10.402 1.00 1.00 N ATOM 0 H ARG A 57 6.335 1.753 7.199 1.00 1.00 H new ATOM 0 HA ARG A 57 6.486 4.502 7.690 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.227 2.286 6.956 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.653 3.693 6.001 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.295 3.732 9.043 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.846 3.593 8.241 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.926 5.844 7.907 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.403 5.804 7.042 1.00 1.00 H new ATOM 0 HE ARG A 57 7.579 5.629 9.676 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.789 7.687 7.887 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.493 9.104 8.901 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.202 7.459 10.964 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.042 8.976 10.627 1.00 1.00 H new ATOM 804 N LEU A 58 6.226 3.691 4.497 1.00 1.00 N ATOM 805 CA LEU A 58 5.932 4.251 3.183 1.00 1.00 C ATOM 806 C LEU A 58 4.578 4.951 3.194 1.00 1.00 C ATOM 807 O LEU A 58 4.394 5.987 2.558 1.00 1.00 O ATOM 808 CB LEU A 58 5.933 3.148 2.131 1.00 1.00 C ATOM 809 CG LEU A 58 7.376 2.785 1.780 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.372 1.557 0.886 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.066 3.939 1.036 1.00 1.00 C ATOM 0 H LEU A 58 6.301 2.674 4.523 1.00 1.00 H new ATOM 0 HA LEU A 58 6.704 4.981 2.938 1.00 1.00 H new ATOM 0 HB2 LEU A 58 5.406 2.271 2.507 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.402 3.480 1.239 1.00 1.00 H new ATOM 0 HG LEU A 58 7.921 2.588 2.703 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.397 1.290 0.630 1.00 1.00 H new ATOM 0 HD12 LEU A 58 6.901 0.726 1.411 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.815 1.772 -0.026 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.091 3.657 0.797 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.525 4.153 0.114 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.072 4.827 1.668 1.00 1.00 H new ATOM 823 N SER A 59 3.633 4.376 3.923 1.00 1.00 N ATOM 824 CA SER A 59 2.302 4.960 4.017 1.00 1.00 C ATOM 825 C SER A 59 2.359 6.301 4.750 1.00 1.00 C ATOM 826 O SER A 59 1.728 7.275 4.339 1.00 1.00 O ATOM 827 CB SER A 59 1.365 4.008 4.760 1.00 1.00 C ATOM 828 OG SER A 59 0.444 3.439 3.837 1.00 1.00 O ATOM 0 H SER A 59 3.760 3.514 4.454 1.00 1.00 H new ATOM 0 HA SER A 59 1.923 5.125 3.008 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.940 3.222 5.249 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.829 4.545 5.543 1.00 1.00 H new ATOM 0 HG SER A 59 -0.157 2.827 4.310 1.00 1.00 H new ATOM 834 N ARG A 60 3.105 6.330 5.852 1.00 1.00 N ATOM 835 CA ARG A 60 3.229 7.540 6.663 1.00 1.00 C ATOM 836 C ARG A 60 3.975 8.659 5.933 1.00 1.00 C ATOM 837 O ARG A 60 3.544 9.811 5.956 1.00 1.00 O ATOM 838 CB ARG A 60 3.968 7.211 7.962 1.00 1.00 C ATOM 839 CG ARG A 60 3.886 8.403 8.920 1.00 1.00 C ATOM 840 CD ARG A 60 3.032 8.026 10.132 1.00 1.00 C ATOM 841 NE ARG A 60 1.689 7.651 9.706 1.00 1.00 N ATOM 842 CZ ARG A 60 0.728 7.415 10.593 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.980 7.514 11.871 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.467 7.082 10.189 1.00 1.00 N ATOM 0 H ARG A 60 3.632 5.531 6.204 1.00 1.00 H new ATOM 0 HA ARG A 60 2.220 7.895 6.871 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.530 6.328 8.427 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.011 6.975 7.749 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.886 8.693 9.243 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.453 9.264 8.410 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.495 7.198 10.669 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.980 8.866 10.825 1.00 1.00 H new ATOM 0 HE ARG A 60 1.484 7.568 8.710 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.914 7.772 12.188 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.242 7.333 12.552 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.664 7.003 9.191 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -1.204 6.901 10.871 1.00 1.00 H new ATOM 858 N VAL A 61 5.100 8.327 5.304 1.00 1.00 N ATOM 859 CA VAL A 61 5.887 9.338 4.600 1.00 1.00 C ATOM 860 C VAL A 61 5.164 9.843 3.353 1.00 1.00 C ATOM 861 O VAL A 61 5.113 11.048 3.103 1.00 1.00 O ATOM 862 CB VAL A 61 7.257 8.772 4.212 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.103 7.802 3.044 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.181 9.919 3.802 1.00 1.00 C ATOM 0 H VAL A 61 5.483 7.382 5.266 1.00 1.00 H new ATOM 0 HA VAL A 61 6.023 10.180 5.278 1.00 1.00 H new ATOM 0 HB VAL A 61 7.684 8.243 5.064 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.080 7.402 2.772 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.444 6.984 3.335 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.675 8.326 2.190 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.157 9.519 3.525 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.750 10.447 2.951 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.296 10.610 4.637 1.00 1.00 H new ATOM 874 N ALA A 62 4.613 8.921 2.572 1.00 1.00 N ATOM 875 CA ALA A 62 3.904 9.292 1.352 1.00 1.00 C ATOM 876 C ALA A 62 2.914 10.421 1.622 1.00 1.00 C ATOM 877 O ALA A 62 2.682 11.273 0.765 1.00 1.00 O ATOM 878 CB ALA A 62 3.160 8.079 0.793 1.00 1.00 C ATOM 0 H ALA A 62 4.643 7.919 2.759 1.00 1.00 H new ATOM 0 HA ALA A 62 4.636 9.639 0.622 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.633 8.363 -0.118 1.00 1.00 H new ATOM 0 HB2 ALA A 62 3.874 7.287 0.567 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.442 7.721 1.531 1.00 1.00 H new ATOM 884 N LEU A 63 2.326 10.412 2.812 1.00 1.00 N ATOM 885 CA LEU A 63 1.351 11.432 3.182 1.00 1.00 C ATOM 886 C LEU A 63 2.013 12.798 3.340 1.00 1.00 C ATOM 887 O LEU A 63 1.350 13.830 3.228 1.00 1.00 O ATOM 888 CB LEU A 63 0.672 11.047 4.499 1.00 1.00 C ATOM 889 CG LEU A 63 -0.288 9.871 4.270 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.807 9.369 5.618 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.477 10.313 3.404 1.00 1.00 C ATOM 0 H LEU A 63 2.505 9.714 3.534 1.00 1.00 H new ATOM 0 HA LEU A 63 0.611 11.495 2.384 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.424 10.774 5.239 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.125 11.901 4.899 1.00 1.00 H new ATOM 0 HG LEU A 63 0.249 9.073 3.757 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.489 8.534 5.457 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.032 9.040 6.231 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.335 10.175 6.128 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.149 9.469 3.250 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.014 11.117 3.907 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.113 10.667 2.440 1.00 1.00 H new ATOM 903 N VAL A 64 3.315 12.803 3.615 1.00 1.00 N ATOM 904 CA VAL A 64 4.038 14.058 3.803 1.00 1.00 C ATOM 905 C VAL A 64 4.882 14.410 2.579 1.00 1.00 C ATOM 906 O VAL A 64 4.798 15.524 2.065 1.00 1.00 O ATOM 907 CB VAL A 64 4.940 13.958 5.034 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.957 15.303 5.762 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.398 12.882 5.978 1.00 1.00 C ATOM 0 H VAL A 64 3.885 11.963 3.712 1.00 1.00 H new ATOM 0 HA VAL A 64 3.301 14.849 3.945 1.00 1.00 H new ATOM 0 HB VAL A 64 5.951 13.696 4.722 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.599 15.234 6.640 1.00 1.00 H new ATOM 0 HG12 VAL A 64 5.339 16.074 5.093 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.945 15.561 6.073 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.041 12.810 6.855 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.387 13.146 6.289 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.379 11.922 5.463 1.00 1.00 H new ATOM 919 N ARG A 65 5.700 13.461 2.123 1.00 1.00 N ATOM 920 CA ARG A 65 6.558 13.702 0.963 1.00 1.00 C ATOM 921 C ARG A 65 6.476 12.553 -0.035 1.00 1.00 C ATOM 922 O ARG A 65 7.301 11.640 -0.018 1.00 1.00 O ATOM 923 CB ARG A 65 8.009 13.877 1.411 1.00 1.00 C ATOM 924 CG ARG A 65 8.129 15.119 2.298 1.00 1.00 C ATOM 925 CD ARG A 65 9.494 15.125 2.987 1.00 1.00 C ATOM 926 NE ARG A 65 9.605 16.275 3.877 1.00 1.00 N ATOM 927 CZ ARG A 65 10.550 16.333 4.811 1.00 1.00 C ATOM 928 NH1 ARG A 65 11.395 15.348 4.946 1.00 1.00 N ATOM 929 NH2 ARG A 65 10.632 17.376 5.590 1.00 1.00 N ATOM 0 H ARG A 65 5.786 12.531 2.532 1.00 1.00 H new ATOM 0 HA ARG A 65 6.209 14.612 0.475 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.340 12.994 1.958 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.659 13.975 0.541 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.009 16.021 1.697 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.334 15.125 3.043 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.627 14.203 3.554 1.00 1.00 H new ATOM 0 HD3 ARG A 65 10.287 15.157 2.239 1.00 1.00 H new ATOM 0 HE ARG A 65 8.947 17.048 3.781 1.00 1.00 H new ATOM 0 HH11 ARG A 65 11.331 14.534 4.335 1.00 1.00 H new ATOM 0 HH12 ARG A 65 12.120 15.392 5.662 1.00 1.00 H new ATOM 0 HH21 ARG A 65 9.972 18.146 5.482 1.00 1.00 H new ATOM 0 HH22 ARG A 65 11.356 17.422 6.307 1.00 1.00 H new ATOM 943 N ARG A 66 5.479 12.612 -0.909 1.00 1.00 N ATOM 944 CA ARG A 66 5.296 11.581 -1.922 1.00 1.00 C ATOM 945 C ARG A 66 6.515 11.497 -2.839 1.00 1.00 C ATOM 946 O ARG A 66 6.847 10.426 -3.349 1.00 1.00 O ATOM 947 CB ARG A 66 4.051 11.883 -2.756 1.00 1.00 C ATOM 948 CG ARG A 66 4.032 10.983 -3.993 1.00 1.00 C ATOM 949 CD ARG A 66 2.597 10.851 -4.507 1.00 1.00 C ATOM 950 NE ARG A 66 2.598 10.433 -5.904 1.00 1.00 N ATOM 951 CZ ARG A 66 2.807 9.167 -6.243 1.00 1.00 C ATOM 952 NH1 ARG A 66 3.022 8.270 -5.318 1.00 1.00 N ATOM 953 NH2 ARG A 66 2.798 8.816 -7.500 1.00 1.00 N ATOM 0 H ARG A 66 4.787 13.361 -0.937 1.00 1.00 H new ATOM 0 HA ARG A 66 5.173 10.624 -1.415 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.153 11.719 -2.160 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.047 12.931 -3.056 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.671 11.402 -4.770 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.433 10.000 -3.747 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.052 10.125 -3.903 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.078 11.804 -4.405 1.00 1.00 H new ATOM 0 HE ARG A 66 2.435 11.126 -6.634 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.029 8.543 -4.335 1.00 1.00 H new ATOM 0 HH12 ARG A 66 3.183 7.297 -5.579 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.630 9.515 -8.224 1.00 1.00 H new ATOM 0 HH22 ARG A 66 2.959 7.843 -7.759 1.00 1.00 H new ATOM 967 N ASP A 67 7.170 12.634 -3.057 1.00 1.00 N ATOM 968 CA ASP A 67 8.340 12.678 -3.931 1.00 1.00 C ATOM 969 C ASP A 67 9.478 11.828 -3.372 1.00 1.00 C ATOM 970 O ASP A 67 10.097 11.050 -4.099 1.00 1.00 O ATOM 971 CB ASP A 67 8.814 14.124 -4.094 1.00 1.00 C ATOM 972 CG ASP A 67 8.450 14.639 -5.482 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.386 14.286 -5.963 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.243 15.379 -6.043 1.00 1.00 O ATOM 0 H ASP A 67 6.914 13.531 -2.644 1.00 1.00 H new ATOM 0 HA ASP A 67 8.052 12.273 -4.901 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.355 14.754 -3.332 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.893 14.180 -3.948 1.00 1.00 H new ATOM 979 N ARG A 68 9.749 11.979 -2.083 1.00 1.00 N ATOM 980 CA ARG A 68 10.816 11.218 -1.444 1.00 1.00 C ATOM 981 C ARG A 68 10.464 9.734 -1.426 1.00 1.00 C ATOM 982 O ARG A 68 11.308 8.877 -1.691 1.00 1.00 O ATOM 983 CB ARG A 68 11.022 11.714 -0.012 1.00 1.00 C ATOM 984 CG ARG A 68 11.979 12.909 -0.006 1.00 1.00 C ATOM 985 CD ARG A 68 11.495 13.965 -1.002 1.00 1.00 C ATOM 986 NE ARG A 68 12.026 15.276 -0.643 1.00 1.00 N ATOM 987 CZ ARG A 68 11.417 16.392 -1.024 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.341 16.330 -1.760 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.895 17.552 -0.663 1.00 1.00 N ATOM 0 H ARG A 68 9.250 12.616 -1.462 1.00 1.00 H new ATOM 0 HA ARG A 68 11.736 11.359 -2.011 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.065 12.001 0.424 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.425 10.911 0.606 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.034 13.338 0.995 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.985 12.582 -0.268 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.814 13.699 -2.010 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.405 13.996 -1.010 1.00 1.00 H new ATOM 0 HE ARG A 68 12.881 15.336 -0.089 1.00 1.00 H new ATOM 0 HH11 ARG A 68 9.968 15.424 -2.043 1.00 1.00 H new ATOM 0 HH12 ARG A 68 9.873 17.188 -2.053 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.736 17.600 -0.088 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.427 18.410 -0.956 1.00 1.00 H new ATOM 1003 N ALA A 69 9.206 9.445 -1.111 1.00 1.00 N ATOM 1004 CA ALA A 69 8.730 8.065 -1.062 1.00 1.00 C ATOM 1005 C ALA A 69 8.841 7.407 -2.435 1.00 1.00 C ATOM 1006 O ALA A 69 8.921 6.182 -2.547 1.00 1.00 O ATOM 1007 CB ALA A 69 7.268 8.034 -0.618 1.00 1.00 C ATOM 0 H ALA A 69 8.499 10.145 -0.886 1.00 1.00 H new ATOM 0 HA ALA A 69 9.348 7.518 -0.350 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.920 7.002 -0.584 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.179 8.480 0.373 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.661 8.598 -1.326 1.00 1.00 H new ATOM 1013 N GLN A 70 8.832 8.225 -3.477 1.00 1.00 N ATOM 1014 CA GLN A 70 8.919 7.711 -4.838 1.00 1.00 C ATOM 1015 C GLN A 70 10.340 7.248 -5.162 1.00 1.00 C ATOM 1016 O GLN A 70 10.533 6.262 -5.872 1.00 1.00 O ATOM 1017 CB GLN A 70 8.493 8.799 -5.829 1.00 1.00 C ATOM 1018 CG GLN A 70 8.060 8.162 -7.151 1.00 1.00 C ATOM 1019 CD GLN A 70 8.622 8.960 -8.323 1.00 1.00 C ATOM 1020 OE1 GLN A 70 7.883 9.329 -9.237 1.00 1.00 O ATOM 1021 NE2 GLN A 70 9.894 9.252 -8.349 1.00 1.00 N ATOM 0 H GLN A 70 8.766 9.241 -3.409 1.00 1.00 H new ATOM 0 HA GLN A 70 8.252 6.853 -4.923 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.673 9.382 -5.411 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.319 9.489 -6.002 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.412 7.131 -7.200 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.972 8.131 -7.210 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.503 8.945 -7.591 1.00 1.00 H new ATOM 0 HE22 GLN A 70 10.279 9.787 -9.128 1.00 1.00 H new ATOM 1030 N ALA A 71 11.326 7.977 -4.650 1.00 1.00 N ATOM 1031 CA ALA A 71 12.727 7.649 -4.904 1.00 1.00 C ATOM 1032 C ALA A 71 13.162 6.389 -4.153 1.00 1.00 C ATOM 1033 O ALA A 71 13.831 5.525 -4.718 1.00 1.00 O ATOM 1034 CB ALA A 71 13.609 8.822 -4.489 1.00 1.00 C ATOM 0 H ALA A 71 11.183 8.796 -4.059 1.00 1.00 H new ATOM 0 HA ALA A 71 12.837 7.455 -5.971 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.654 8.577 -4.679 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.334 9.706 -5.064 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.471 9.023 -3.427 1.00 1.00 H new ATOM 1040 N VAL A 72 12.780 6.281 -2.883 1.00 1.00 N ATOM 1041 CA VAL A 72 13.144 5.112 -2.090 1.00 1.00 C ATOM 1042 C VAL A 72 12.563 3.858 -2.733 1.00 1.00 C ATOM 1043 O VAL A 72 13.226 2.825 -2.823 1.00 1.00 O ATOM 1044 CB VAL A 72 12.621 5.264 -0.660 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.319 6.442 0.021 1.00 1.00 C ATOM 1046 CG2 VAL A 72 11.124 5.525 -0.698 1.00 1.00 C ATOM 0 H VAL A 72 12.226 6.979 -2.387 1.00 1.00 H new ATOM 0 HA VAL A 72 14.230 5.025 -2.055 1.00 1.00 H new ATOM 0 HB VAL A 72 12.823 4.350 -0.102 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.944 6.548 1.039 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.394 6.263 0.047 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.117 7.356 -0.537 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.748 5.634 0.319 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.928 6.440 -1.257 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.621 4.689 -1.183 1.00 1.00 H new ATOM 1056 N GLU A 73 11.328 3.968 -3.205 1.00 1.00 N ATOM 1057 CA GLU A 73 10.675 2.850 -3.871 1.00 1.00 C ATOM 1058 C GLU A 73 11.447 2.500 -5.143 1.00 1.00 C ATOM 1059 O GLU A 73 11.521 1.337 -5.539 1.00 1.00 O ATOM 1060 CB GLU A 73 9.209 3.211 -4.199 1.00 1.00 C ATOM 1061 CG GLU A 73 8.997 3.341 -5.718 1.00 1.00 C ATOM 1062 CD GLU A 73 7.574 3.795 -6.024 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.948 4.385 -5.157 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.136 3.553 -7.136 1.00 1.00 O ATOM 0 H GLU A 73 10.762 4.814 -3.140 1.00 1.00 H new ATOM 0 HA GLU A 73 10.670 1.982 -3.212 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.545 2.444 -3.800 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.944 4.148 -3.710 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.709 4.056 -6.130 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.191 2.383 -6.201 1.00 1.00 H new ATOM 1071 N THR A 74 12.011 3.527 -5.780 1.00 1.00 N ATOM 1072 CA THR A 74 12.767 3.330 -7.013 1.00 1.00 C ATOM 1073 C THR A 74 14.115 2.700 -6.707 1.00 1.00 C ATOM 1074 O THR A 74 14.618 1.874 -7.470 1.00 1.00 O ATOM 1075 CB THR A 74 12.971 4.672 -7.720 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.734 5.113 -8.264 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.994 4.508 -8.845 1.00 1.00 C ATOM 0 H THR A 74 11.958 4.495 -5.464 1.00 1.00 H new ATOM 0 HA THR A 74 12.205 2.662 -7.666 1.00 1.00 H new ATOM 0 HB THR A 74 13.336 5.408 -7.003 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.205 5.548 -7.563 1.00 1.00 H new ATOM 0 HG21 THR A 74 14.138 5.464 -9.348 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.943 4.170 -8.428 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.631 3.772 -9.562 1.00 1.00 H new ATOM 1085 N TYR A 75 14.691 3.091 -5.580 1.00 1.00 N ATOM 1086 CA TYR A 75 15.979 2.556 -5.167 1.00 1.00 C ATOM 1087 C TYR A 75 15.929 1.032 -5.133 1.00 1.00 C ATOM 1088 O TYR A 75 16.830 0.358 -5.632 1.00 1.00 O ATOM 1089 CB TYR A 75 16.332 3.102 -3.781 1.00 1.00 C ATOM 1090 CG TYR A 75 17.620 2.488 -3.300 1.00 1.00 C ATOM 1091 CD1 TYR A 75 18.845 3.075 -3.639 1.00 1.00 C ATOM 1092 CD2 TYR A 75 17.592 1.332 -2.508 1.00 1.00 C ATOM 1093 CE1 TYR A 75 20.042 2.506 -3.189 1.00 1.00 C ATOM 1094 CE2 TYR A 75 18.790 0.764 -2.058 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.015 1.351 -2.398 1.00 1.00 C ATOM 1096 OH TYR A 75 21.195 0.791 -1.953 1.00 1.00 O ATOM 0 H TYR A 75 14.289 3.774 -4.938 1.00 1.00 H new ATOM 0 HA TYR A 75 16.743 2.861 -5.882 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.429 4.187 -3.822 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.529 2.881 -3.078 1.00 1.00 H new ATOM 0 HD1 TYR A 75 18.866 3.967 -4.248 1.00 1.00 H new ATOM 0 HD2 TYR A 75 16.647 0.880 -2.245 1.00 1.00 H new ATOM 0 HE1 TYR A 75 20.987 2.958 -3.452 1.00 1.00 H new ATOM 0 HE2 TYR A 75 18.769 -0.127 -1.448 1.00 1.00 H new ATOM 0 HH TYR A 75 20.997 -0.005 -1.416 1.00 1.00 H new ATOM 1106 N LEU A 76 14.865 0.498 -4.542 1.00 1.00 N ATOM 1107 CA LEU A 76 14.695 -0.950 -4.440 1.00 1.00 C ATOM 1108 C LEU A 76 14.428 -1.576 -5.807 1.00 1.00 C ATOM 1109 O LEU A 76 15.020 -2.597 -6.155 1.00 1.00 O ATOM 1110 CB LEU A 76 13.527 -1.264 -3.506 1.00 1.00 C ATOM 1111 CG LEU A 76 13.520 -2.757 -3.149 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.767 -3.121 -2.334 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.274 -3.065 -2.322 1.00 1.00 C ATOM 0 H LEU A 76 14.109 1.043 -4.127 1.00 1.00 H new ATOM 0 HA LEU A 76 15.619 -1.371 -4.043 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.607 -0.666 -2.598 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.586 -0.993 -3.985 1.00 1.00 H new ATOM 0 HG LEU A 76 13.518 -3.341 -4.069 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.745 -4.183 -2.090 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.660 -2.901 -2.918 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.783 -2.538 -1.413 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.261 -4.124 -2.064 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.287 -2.469 -1.409 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.383 -2.822 -2.902 1.00 1.00 H new ATOM 1125 N LYS A 77 13.534 -0.965 -6.575 1.00 1.00 N ATOM 1126 CA LYS A 77 13.199 -1.482 -7.893 1.00 1.00 C ATOM 1127 C LYS A 77 14.456 -1.560 -8.752 1.00 1.00 C ATOM 1128 O LYS A 77 14.599 -2.463 -9.576 1.00 1.00 O ATOM 1129 CB LYS A 77 12.138 -0.575 -8.544 1.00 1.00 C ATOM 1130 CG LYS A 77 12.479 -0.294 -10.012 1.00 1.00 C ATOM 1131 CD LYS A 77 11.303 0.424 -10.680 1.00 1.00 C ATOM 1132 CE LYS A 77 11.151 1.835 -10.105 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.350 2.670 -11.044 1.00 1.00 N ATOM 0 H LYS A 77 13.032 -0.118 -6.309 1.00 1.00 H new ATOM 0 HA LYS A 77 12.787 -2.487 -7.803 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.159 -1.050 -8.479 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.073 0.365 -7.996 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.378 0.319 -10.077 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.692 -1.228 -10.532 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.464 0.477 -11.757 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.385 -0.142 -10.523 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.662 1.792 -9.132 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.132 2.283 -9.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.246 3.629 -10.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.834 2.721 -11.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.410 2.244 -11.171 1.00 1.00 H new ATOM 1147 N LYS A 78 15.363 -0.615 -8.549 1.00 1.00 N ATOM 1148 CA LYS A 78 16.606 -0.591 -9.305 1.00 1.00 C ATOM 1149 C LYS A 78 17.452 -1.816 -8.965 1.00 1.00 C ATOM 1150 O LYS A 78 18.023 -2.451 -9.849 1.00 1.00 O ATOM 1151 CB LYS A 78 17.386 0.685 -8.983 1.00 1.00 C ATOM 1152 CG LYS A 78 16.975 1.798 -9.951 1.00 1.00 C ATOM 1153 CD LYS A 78 17.821 1.708 -11.223 1.00 1.00 C ATOM 1154 CE LYS A 78 19.081 2.560 -11.060 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.770 3.979 -11.396 1.00 1.00 N ATOM 0 H LYS A 78 15.262 0.141 -7.871 1.00 1.00 H new ATOM 0 HA LYS A 78 16.372 -0.608 -10.369 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.191 0.993 -7.956 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.457 0.498 -9.062 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.917 1.707 -10.198 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.110 2.772 -9.480 1.00 1.00 H new ATOM 0 HD2 LYS A 78 18.093 0.671 -11.419 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.244 2.053 -12.081 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.450 2.490 -10.037 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.872 2.186 -11.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.627 4.558 -11.285 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.437 4.038 -12.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.029 4.332 -10.758 1.00 1.00 H new ATOM 1169 N LEU A 79 17.513 -2.146 -7.679 1.00 1.00 N ATOM 1170 CA LEU A 79 18.280 -3.308 -7.234 1.00 1.00 C ATOM 1171 C LEU A 79 17.610 -4.595 -7.705 1.00 1.00 C ATOM 1172 O LEU A 79 18.268 -5.493 -8.231 1.00 1.00 O ATOM 1173 CB LEU A 79 18.389 -3.319 -5.705 1.00 1.00 C ATOM 1174 CG LEU A 79 19.013 -2.006 -5.210 1.00 1.00 C ATOM 1175 CD1 LEU A 79 18.701 -1.822 -3.724 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.535 -2.038 -5.396 1.00 1.00 C ATOM 0 H LEU A 79 17.046 -1.632 -6.932 1.00 1.00 H new ATOM 0 HA LEU A 79 19.280 -3.245 -7.664 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.401 -3.450 -5.263 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.997 -4.164 -5.382 1.00 1.00 H new ATOM 0 HG LEU A 79 18.596 -1.181 -5.787 1.00 1.00 H new ATOM 0 HD11 LEU A 79 19.144 -0.890 -3.372 1.00 1.00 H new ATOM 0 HD12 LEU A 79 17.621 -1.788 -3.581 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.116 -2.657 -3.159 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.965 -1.101 -5.041 1.00 1.00 H new ATOM 0 HD22 LEU A 79 20.954 -2.868 -4.827 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.770 -2.168 -6.452 1.00 1.00 H new ATOM 1188 N ILE A 80 16.297 -4.680 -7.509 1.00 1.00 N ATOM 1189 CA ILE A 80 15.546 -5.865 -7.915 1.00 1.00 C ATOM 1190 C ILE A 80 15.527 -5.993 -9.433 1.00 1.00 C ATOM 1191 O ILE A 80 15.725 -7.079 -9.977 1.00 1.00 O ATOM 1192 CB ILE A 80 14.112 -5.784 -7.391 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.081 -6.212 -5.920 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.215 -6.715 -8.213 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.714 -5.878 -5.314 1.00 1.00 C ATOM 0 H ILE A 80 15.734 -3.949 -7.075 1.00 1.00 H new ATOM 0 HA ILE A 80 16.036 -6.742 -7.493 1.00 1.00 H new ATOM 0 HB ILE A 80 13.750 -4.760 -7.479 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.274 -7.282 -5.838 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.869 -5.702 -5.366 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.192 -6.658 -7.840 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.237 -6.411 -9.260 1.00 1.00 H new ATOM 0 HG23 ILE A 80 13.576 -7.740 -8.125 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.695 -6.184 -4.268 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.539 -4.804 -5.382 1.00 1.00 H new ATOM 0 HD13 ILE A 80 11.934 -6.408 -5.861 1.00 1.00 H new ATOM 1207 N ALA A 81 15.286 -4.877 -10.112 1.00 1.00 N ATOM 1208 CA ALA A 81 15.244 -4.878 -11.570 1.00 1.00 C ATOM 1209 C ALA A 81 16.614 -5.226 -12.140 1.00 1.00 C ATOM 1210 O ALA A 81 16.719 -5.917 -13.153 1.00 1.00 O ATOM 1211 CB ALA A 81 14.809 -3.503 -12.081 1.00 1.00 C ATOM 0 H ALA A 81 15.118 -3.968 -9.681 1.00 1.00 H new ATOM 0 HA ALA A 81 14.524 -5.629 -11.896 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.780 -3.512 -13.171 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.818 -3.268 -11.694 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.519 -2.748 -11.743 1.00 1.00 H new ATOM 1306 N LYS A 88 15.590 -8.054 1.812 1.00 1.00 N ATOM 1307 CA LYS A 88 14.314 -7.346 1.827 1.00 1.00 C ATOM 1308 C LYS A 88 14.455 -6.007 2.544 1.00 1.00 C ATOM 1309 O LYS A 88 14.775 -5.959 3.733 1.00 1.00 O ATOM 1310 CB LYS A 88 13.255 -8.193 2.535 1.00 1.00 C ATOM 1311 CG LYS A 88 13.671 -8.422 3.989 1.00 1.00 C ATOM 1312 CD LYS A 88 13.061 -9.730 4.496 1.00 1.00 C ATOM 1313 CE LYS A 88 14.012 -10.889 4.193 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.261 -12.175 4.254 1.00 1.00 N ATOM 0 HA LYS A 88 14.007 -7.166 0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 88 12.288 -7.691 2.497 1.00 1.00 H new ATOM 0 HB3 LYS A 88 13.138 -9.149 2.024 1.00 1.00 H new ATOM 0 HG2 LYS A 88 14.758 -8.462 4.065 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.338 -7.589 4.609 1.00 1.00 H new ATOM 0 HD2 LYS A 88 12.879 -9.667 5.569 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.097 -9.903 4.018 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.456 -10.761 3.206 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.831 -10.899 4.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.906 -12.964 4.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.858 -12.297 5.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.494 -12.163 3.552 1.00 1.00 H new ATOM 1328 N ILE A 89 14.218 -4.922 1.815 1.00 1.00 N ATOM 1329 CA ILE A 89 14.324 -3.588 2.396 1.00 1.00 C ATOM 1330 C ILE A 89 13.661 -3.555 3.770 1.00 1.00 C ATOM 1331 O ILE A 89 12.826 -4.405 4.087 1.00 1.00 O ATOM 1332 CB ILE A 89 13.688 -2.553 1.442 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.776 -1.567 1.000 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.546 -1.785 2.129 1.00 1.00 C ATOM 1335 CD1 ILE A 89 14.181 -0.480 0.100 1.00 1.00 C ATOM 0 H ILE A 89 13.954 -4.938 0.830 1.00 1.00 H new ATOM 0 HA ILE A 89 15.376 -3.333 2.528 1.00 1.00 H new ATOM 0 HB ILE A 89 13.268 -3.076 0.583 1.00 1.00 H new ATOM 0 HG12 ILE A 89 15.238 -1.110 1.875 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.563 -2.100 0.466 1.00 1.00 H new ATOM 0 HG21 ILE A 89 12.120 -1.065 1.430 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.773 -2.487 2.443 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.934 -1.259 3.001 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.967 0.211 -0.204 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.740 -0.941 -0.784 1.00 1.00 H new ATOM 0 HD13 ILE A 89 13.411 0.064 0.647 1.00 1.00 H new ATOM 1347 N THR A 90 14.032 -2.566 4.578 1.00 1.00 N ATOM 1348 CA THR A 90 13.462 -2.425 5.914 1.00 1.00 C ATOM 1349 C THR A 90 13.032 -0.982 6.155 1.00 1.00 C ATOM 1350 O THR A 90 13.309 -0.099 5.343 1.00 1.00 O ATOM 1351 CB THR A 90 14.495 -2.835 6.966 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.608 -1.956 6.903 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.957 -4.269 6.698 1.00 1.00 C ATOM 0 H THR A 90 14.721 -1.854 4.333 1.00 1.00 H new ATOM 0 HA THR A 90 12.589 -3.073 5.992 1.00 1.00 H new ATOM 0 HB THR A 90 14.046 -2.780 7.958 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.416 -2.466 6.683 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.693 -4.560 7.448 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.101 -4.942 6.748 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.406 -4.327 5.707 1.00 1.00 H new ATOM 1361 N GLU A 91 12.360 -0.745 7.277 1.00 1.00 N ATOM 1362 CA GLU A 91 11.907 0.601 7.615 1.00 1.00 C ATOM 1363 C GLU A 91 13.102 1.528 7.790 1.00 1.00 C ATOM 1364 O GLU A 91 13.021 2.727 7.526 1.00 1.00 O ATOM 1365 CB GLU A 91 11.086 0.569 8.906 1.00 1.00 C ATOM 1366 CG GLU A 91 12.026 0.440 10.106 1.00 1.00 C ATOM 1367 CD GLU A 91 11.249 -0.049 11.323 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.035 0.081 11.318 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.877 -0.549 12.242 1.00 1.00 O ATOM 0 H GLU A 91 12.118 -1.460 7.963 1.00 1.00 H new ATOM 0 HA GLU A 91 11.283 0.974 6.803 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.490 1.478 8.993 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.389 -0.268 8.885 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.832 -0.256 9.874 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.489 1.403 10.322 1.00 1.00 H new ATOM 1376 N ALA A 92 14.209 0.954 8.237 1.00 1.00 N ATOM 1377 CA ALA A 92 15.431 1.718 8.450 1.00 1.00 C ATOM 1378 C ALA A 92 16.019 2.167 7.118 1.00 1.00 C ATOM 1379 O ALA A 92 16.652 3.219 7.027 1.00 1.00 O ATOM 1380 CB ALA A 92 16.457 0.865 9.200 1.00 1.00 C ATOM 0 H ALA A 92 14.287 -0.038 8.460 1.00 1.00 H new ATOM 0 HA ALA A 92 15.188 2.599 9.044 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.368 1.444 9.355 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.047 0.568 10.165 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.688 -0.025 8.614 1.00 1.00 H new ATOM 1386 N GLU A 93 15.821 1.355 6.087 1.00 1.00 N ATOM 1387 CA GLU A 93 16.348 1.675 4.767 1.00 1.00 C ATOM 1388 C GLU A 93 15.537 2.782 4.097 1.00 1.00 C ATOM 1389 O GLU A 93 16.100 3.669 3.458 1.00 1.00 O ATOM 1390 CB GLU A 93 16.328 0.430 3.881 1.00 1.00 C ATOM 1391 CG GLU A 93 17.624 -0.362 4.075 1.00 1.00 C ATOM 1392 CD GLU A 93 17.781 -0.759 5.540 1.00 1.00 C ATOM 1393 OE1 GLU A 93 17.879 0.130 6.368 1.00 1.00 O ATOM 1394 OE2 GLU A 93 17.798 -1.950 5.810 1.00 1.00 O ATOM 0 H GLU A 93 15.304 0.477 6.138 1.00 1.00 H new ATOM 0 HA GLU A 93 17.372 2.025 4.894 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.469 -0.193 4.131 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.219 0.718 2.835 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.612 -1.253 3.448 1.00 1.00 H new ATOM 0 HG3 GLU A 93 18.477 0.238 3.759 1.00 1.00 H new ATOM 1401 N ILE A 94 14.215 2.723 4.232 1.00 1.00 N ATOM 1402 CA ILE A 94 13.356 3.728 3.609 1.00 1.00 C ATOM 1403 C ILE A 94 13.628 5.109 4.194 1.00 1.00 C ATOM 1404 O ILE A 94 13.790 6.079 3.456 1.00 1.00 O ATOM 1405 CB ILE A 94 11.874 3.341 3.814 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.298 2.747 2.522 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.026 4.564 4.202 1.00 1.00 C ATOM 1408 CD1 ILE A 94 11.945 1.393 2.235 1.00 1.00 C ATOM 0 H ILE A 94 13.720 2.003 4.758 1.00 1.00 H new ATOM 0 HA ILE A 94 13.574 3.764 2.542 1.00 1.00 H new ATOM 0 HB ILE A 94 11.838 2.607 4.619 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.218 2.631 2.615 1.00 1.00 H new ATOM 0 HG13 ILE A 94 11.475 3.427 1.689 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.989 4.259 4.339 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.405 4.989 5.131 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.083 5.312 3.411 1.00 1.00 H new ATOM 0 HD11 ILE A 94 11.530 0.979 1.316 1.00 1.00 H new ATOM 0 HD12 ILE A 94 13.022 1.521 2.122 1.00 1.00 H new ATOM 0 HD13 ILE A 94 11.746 0.712 3.062 1.00 1.00 H new ATOM 1420 N VAL A 95 13.692 5.194 5.516 1.00 1.00 N ATOM 1421 CA VAL A 95 13.959 6.464 6.175 1.00 1.00 C ATOM 1422 C VAL A 95 15.392 6.910 5.913 1.00 1.00 C ATOM 1423 O VAL A 95 15.665 8.094 5.710 1.00 1.00 O ATOM 1424 CB VAL A 95 13.706 6.346 7.682 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.942 5.788 8.397 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.374 7.728 8.249 1.00 1.00 C ATOM 0 H VAL A 95 13.564 4.404 6.149 1.00 1.00 H new ATOM 0 HA VAL A 95 13.283 7.214 5.765 1.00 1.00 H new ATOM 0 HB VAL A 95 12.871 5.664 7.844 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.741 5.712 9.466 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.176 4.800 8.001 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.789 6.455 8.233 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.193 7.648 9.321 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.210 8.405 8.072 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.482 8.118 7.759 1.00 1.00 H new ATOM 1436 N SER A 96 16.299 5.946 5.950 1.00 1.00 N ATOM 1437 CA SER A 96 17.720 6.227 5.748 1.00 1.00 C ATOM 1438 C SER A 96 17.989 6.762 4.347 1.00 1.00 C ATOM 1439 O SER A 96 18.706 7.750 4.182 1.00 1.00 O ATOM 1440 CB SER A 96 18.541 4.959 5.975 1.00 1.00 C ATOM 1441 OG SER A 96 18.526 4.632 7.358 1.00 1.00 O ATOM 0 H SER A 96 16.082 4.964 6.117 1.00 1.00 H new ATOM 0 HA SER A 96 18.013 6.991 6.468 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.130 4.136 5.390 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.566 5.110 5.636 1.00 1.00 H new ATOM 0 HG SER A 96 17.962 3.843 7.502 1.00 1.00 H new ATOM 1447 N ILE A 97 17.412 6.118 3.341 1.00 1.00 N ATOM 1448 CA ILE A 97 17.607 6.562 1.968 1.00 1.00 C ATOM 1449 C ILE A 97 16.817 7.846 1.737 1.00 1.00 C ATOM 1450 O ILE A 97 17.267 8.745 1.026 1.00 1.00 O ATOM 1451 CB ILE A 97 17.161 5.471 0.987 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.956 4.188 1.254 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.424 5.925 -0.452 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.178 2.983 0.718 1.00 1.00 C ATOM 0 H ILE A 97 16.814 5.299 3.447 1.00 1.00 H new ATOM 0 HA ILE A 97 18.666 6.758 1.798 1.00 1.00 H new ATOM 0 HB ILE A 97 16.096 5.286 1.123 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.933 4.246 0.774 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.133 4.073 2.323 1.00 1.00 H new ATOM 0 HG21 ILE A 97 17.105 5.145 -1.144 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.865 6.839 -0.653 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.489 6.114 -0.585 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.744 2.071 0.908 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.212 2.922 1.219 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.024 3.097 -0.355 1.00 1.00 H new ATOM 1466 N LEU A 98 15.642 7.926 2.356 1.00 1.00 N ATOM 1467 CA LEU A 98 14.793 9.104 2.225 1.00 1.00 C ATOM 1468 C LEU A 98 15.579 10.353 2.607 1.00 1.00 C ATOM 1469 O LEU A 98 15.580 11.347 1.880 1.00 1.00 O ATOM 1470 CB LEU A 98 13.581 8.958 3.150 1.00 1.00 C ATOM 1471 CG LEU A 98 12.773 10.258 3.178 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.280 9.926 3.150 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.085 11.033 4.463 1.00 1.00 C ATOM 0 H LEU A 98 15.258 7.192 2.951 1.00 1.00 H new ATOM 0 HA LEU A 98 14.458 9.196 1.192 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.951 8.138 2.807 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.912 8.706 4.157 1.00 1.00 H new ATOM 0 HG LEU A 98 13.037 10.864 2.311 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.701 10.850 3.170 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.048 9.372 2.241 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.026 9.320 4.019 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.508 11.958 4.479 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.820 10.425 5.328 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.149 11.268 4.497 1.00 1.00 H new ATOM 1485 N ASN A 99 16.259 10.287 3.746 1.00 1.00 N ATOM 1486 CA ASN A 99 17.061 11.410 4.213 1.00 1.00 C ATOM 1487 C ASN A 99 18.186 11.686 3.221 1.00 1.00 C ATOM 1488 O ASN A 99 18.587 12.833 3.019 1.00 1.00 O ATOM 1489 CB ASN A 99 17.651 11.095 5.589 1.00 1.00 C ATOM 1490 CG ASN A 99 17.604 12.338 6.470 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.176 13.370 6.116 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.956 12.303 7.602 1.00 1.00 N ATOM 0 H ASN A 99 16.271 9.472 4.360 1.00 1.00 H new ATOM 0 HA ASN A 99 16.426 12.292 4.292 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.092 10.285 6.057 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.680 10.752 5.483 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.922 13.131 8.196 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.483 11.447 7.893 1.00 1.00 H new ATOM 1499 N GLY A 100 18.679 10.621 2.599 1.00 1.00 N ATOM 1500 CA GLY A 100 19.750 10.746 1.618 1.00 1.00 C ATOM 1501 C GLY A 100 19.227 11.393 0.341 1.00 1.00 C ATOM 1502 O GLY A 100 19.948 12.123 -0.341 1.00 1.00 O ATOM 0 H GLY A 100 18.356 9.666 2.756 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.562 11.345 2.031 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.162 9.762 1.393 1.00 1.00 H new ATOM 1506 N ILE A 101 17.964 11.121 0.026 1.00 1.00 N ATOM 1507 CA ILE A 101 17.343 11.680 -1.168 1.00 1.00 C ATOM 1508 C ILE A 101 17.007 13.153 -0.954 1.00 1.00 C ATOM 1509 O ILE A 101 17.257 13.990 -1.821 1.00 1.00 O ATOM 1510 CB ILE A 101 16.066 10.902 -1.502 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.440 9.584 -2.192 1.00 1.00 C ATOM 1512 CG2 ILE A 101 15.182 11.733 -2.437 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.510 8.468 -1.709 1.00 1.00 C ATOM 0 H ILE A 101 17.354 10.519 0.579 1.00 1.00 H new ATOM 0 HA ILE A 101 18.045 11.597 -1.998 1.00 1.00 H new ATOM 0 HB ILE A 101 15.520 10.693 -0.582 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.362 9.693 -3.274 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.476 9.328 -1.972 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.275 11.175 -2.671 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.915 12.670 -1.948 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.725 11.946 -3.358 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.778 7.533 -2.201 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.610 8.352 -0.630 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.479 8.723 -1.952 1.00 1.00 H new ATOM 1525 N ALA A 102 16.437 13.462 0.206 1.00 1.00 N ATOM 1526 CA ALA A 102 16.069 14.837 0.523 1.00 1.00 C ATOM 1527 C ALA A 102 17.302 15.734 0.529 1.00 1.00 C ATOM 1528 O ALA A 102 17.212 16.931 0.250 1.00 1.00 O ATOM 1529 CB ALA A 102 15.388 14.893 1.892 1.00 1.00 C ATOM 0 H ALA A 102 16.221 12.784 0.937 1.00 1.00 H new ATOM 0 HA ALA A 102 15.378 15.194 -0.241 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.116 15.923 2.121 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.490 14.276 1.877 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.072 14.520 2.654 1.00 1.00 H new ATOM 1535 N LYS A 103 18.452 15.150 0.844 1.00 1.00 N ATOM 1536 CA LYS A 103 19.697 15.908 0.881 1.00 1.00 C ATOM 1537 C LYS A 103 20.098 16.347 -0.524 1.00 1.00 C ATOM 1538 O LYS A 103 20.518 17.485 -0.734 1.00 1.00 O ATOM 1539 CB LYS A 103 20.812 15.054 1.489 1.00 1.00 C ATOM 1540 CG LYS A 103 21.027 15.457 2.951 1.00 1.00 C ATOM 1541 CD LYS A 103 21.810 16.772 3.014 1.00 1.00 C ATOM 1542 CE LYS A 103 23.263 16.482 3.395 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.030 17.759 3.434 1.00 1.00 N ATOM 0 H LYS A 103 18.549 14.161 1.076 1.00 1.00 H new ATOM 0 HA LYS A 103 19.543 16.794 1.497 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.550 13.998 1.427 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.735 15.187 0.925 1.00 1.00 H new ATOM 0 HG2 LYS A 103 20.066 15.571 3.452 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.571 14.673 3.478 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.770 17.278 2.050 1.00 1.00 H new ATOM 0 HD3 LYS A 103 21.358 17.442 3.745 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.304 15.991 4.367 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.710 15.799 2.673 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.018 17.563 3.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.001 18.210 2.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.607 18.396 4.139 1.00 1.00 H new ATOM 1557 N GLN A 104 19.966 15.436 -1.484 1.00 1.00 N ATOM 1558 CA GLN A 104 20.317 15.743 -2.865 1.00 1.00 C ATOM 1559 C GLN A 104 19.289 16.685 -3.485 1.00 1.00 C ATOM 1560 O GLN A 104 19.645 17.721 -4.049 1.00 1.00 O ATOM 1561 CB GLN A 104 20.387 14.452 -3.684 1.00 1.00 C ATOM 1562 CG GLN A 104 21.350 13.471 -3.011 1.00 1.00 C ATOM 1563 CD GLN A 104 22.510 13.150 -3.946 1.00 1.00 C ATOM 1564 OE1 GLN A 104 23.011 14.036 -4.642 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.972 11.932 -4.004 1.00 1.00 N ATOM 0 H GLN A 104 19.622 14.488 -1.332 1.00 1.00 H new ATOM 0 HA GLN A 104 21.291 16.233 -2.872 1.00 1.00 H new ATOM 0 HB2 GLN A 104 19.396 14.006 -3.765 1.00 1.00 H new ATOM 0 HB3 GLN A 104 20.723 14.670 -4.698 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.729 13.900 -2.083 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.822 12.555 -2.746 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.556 11.201 -3.427 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.749 11.711 -4.626 1.00 1.00 H new