USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 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 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0478 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.44) USER MOD Single : A 53 GLN : amide:sc= -1.81 K(o=-1.8,f=-1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.076) USER MOD Single : A 74 THR OG1 : rot 76:sc= 0.924 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+ -148:sc= -0.0774 (180deg=-0.496) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.236) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 96 SER OG : rot -71:sc= -1.74! USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0775 K(o=-0.078,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 12.977 1.802 -17.924 1.00 1.00 N ATOM 47 CA GLU A 4 11.788 2.574 -17.581 1.00 1.00 C ATOM 48 C GLU A 4 10.568 2.032 -18.318 1.00 1.00 C ATOM 49 O GLU A 4 9.458 2.035 -17.785 1.00 1.00 O ATOM 50 CB GLU A 4 11.996 4.043 -17.947 1.00 1.00 C ATOM 51 CG GLU A 4 10.800 4.865 -17.460 1.00 1.00 C ATOM 52 CD GLU A 4 11.124 6.354 -17.543 1.00 1.00 C ATOM 53 OE1 GLU A 4 12.210 6.681 -17.992 1.00 1.00 O ATOM 54 OE2 GLU A 4 10.278 7.145 -17.159 1.00 1.00 O ATOM 0 HA GLU A 4 11.619 2.488 -16.508 1.00 1.00 H new ATOM 0 HB2 GLU A 4 12.915 4.415 -17.494 1.00 1.00 H new ATOM 0 HB3 GLU A 4 12.107 4.148 -19.026 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.922 4.641 -18.066 1.00 1.00 H new ATOM 0 HG3 GLU A 4 10.555 4.594 -16.433 1.00 1.00 H new ATOM 61 N LEU A 5 10.779 1.568 -19.546 1.00 1.00 N ATOM 62 CA LEU A 5 9.687 1.026 -20.346 1.00 1.00 C ATOM 63 C LEU A 5 9.292 -0.359 -19.841 1.00 1.00 C ATOM 64 O LEU A 5 8.161 -0.803 -20.040 1.00 1.00 O ATOM 65 CB LEU A 5 10.113 0.932 -21.816 1.00 1.00 C ATOM 66 CG LEU A 5 9.506 2.091 -22.616 1.00 1.00 C ATOM 67 CD1 LEU A 5 7.986 1.925 -22.710 1.00 1.00 C ATOM 68 CD2 LEU A 5 9.832 3.417 -21.923 1.00 1.00 C ATOM 0 H LEU A 5 11.689 1.556 -20.006 1.00 1.00 H new ATOM 0 HA LEU A 5 8.829 1.693 -20.258 1.00 1.00 H new ATOM 0 HB2 LEU A 5 11.200 0.959 -21.890 1.00 1.00 H new ATOM 0 HB3 LEU A 5 9.788 -0.020 -22.237 1.00 1.00 H new ATOM 0 HG LEU A 5 9.928 2.089 -23.621 1.00 1.00 H new ATOM 0 HD11 LEU A 5 7.564 2.753 -23.280 1.00 1.00 H new ATOM 0 HD12 LEU A 5 7.753 0.985 -23.209 1.00 1.00 H new ATOM 0 HD13 LEU A 5 7.558 1.919 -21.708 1.00 1.00 H new ATOM 0 HD21 LEU A 5 9.400 4.241 -22.492 1.00 1.00 H new ATOM 0 HD22 LEU A 5 9.415 3.414 -20.916 1.00 1.00 H new ATOM 0 HD23 LEU A 5 10.913 3.542 -21.867 1.00 1.00 H new ATOM 80 N GLN A 6 10.231 -1.035 -19.187 1.00 1.00 N ATOM 81 CA GLN A 6 9.968 -2.370 -18.658 1.00 1.00 C ATOM 82 C GLN A 6 8.911 -2.311 -17.560 1.00 1.00 C ATOM 83 O GLN A 6 8.104 -3.228 -17.413 1.00 1.00 O ATOM 84 CB GLN A 6 11.258 -2.972 -18.098 1.00 1.00 C ATOM 85 CG GLN A 6 11.065 -4.472 -17.871 1.00 1.00 C ATOM 86 CD GLN A 6 11.582 -5.253 -19.073 1.00 1.00 C ATOM 87 OE1 GLN A 6 12.780 -5.521 -19.172 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.747 -5.636 -20.000 1.00 1.00 N ATOM 0 H GLN A 6 11.173 -0.685 -19.011 1.00 1.00 H new ATOM 0 HA GLN A 6 9.598 -2.997 -19.469 1.00 1.00 H new ATOM 0 HB2 GLN A 6 12.082 -2.801 -18.791 1.00 1.00 H new ATOM 0 HB3 GLN A 6 11.523 -2.483 -17.161 1.00 1.00 H new ATOM 0 HG2 GLN A 6 11.594 -4.783 -16.970 1.00 1.00 H new ATOM 0 HG3 GLN A 6 10.009 -4.691 -17.712 1.00 1.00 H new ATOM 0 HE21 GLN A 6 9.755 -5.413 -19.917 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.086 -6.158 -20.808 1.00 1.00 H new ATOM 97 N CYS A 7 8.923 -1.227 -16.790 1.00 1.00 N ATOM 98 CA CYS A 7 7.960 -1.060 -15.708 1.00 1.00 C ATOM 99 C CYS A 7 6.581 -0.727 -16.265 1.00 1.00 C ATOM 100 O CYS A 7 5.580 -1.331 -15.878 1.00 1.00 O ATOM 101 CB CYS A 7 8.417 0.056 -14.770 1.00 1.00 C ATOM 102 SG CYS A 7 6.977 0.986 -14.187 1.00 1.00 S ATOM 0 H CYS A 7 9.584 -0.457 -16.894 1.00 1.00 H new ATOM 0 HA CYS A 7 7.899 -1.997 -15.154 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.958 -0.366 -13.923 1.00 1.00 H new ATOM 0 HB3 CYS A 7 9.107 0.722 -15.289 1.00 1.00 H new ATOM 0 HG CYS A 7 7.367 1.934 -13.387 1.00 1.00 H new ATOM 107 N ILE A 8 6.534 0.239 -17.177 1.00 1.00 N ATOM 108 CA ILE A 8 5.272 0.646 -17.783 1.00 1.00 C ATOM 109 C ILE A 8 4.646 -0.514 -18.549 1.00 1.00 C ATOM 110 O ILE A 8 3.423 -0.648 -18.602 1.00 1.00 O ATOM 111 CB ILE A 8 5.504 1.821 -18.734 1.00 1.00 C ATOM 112 CG1 ILE A 8 6.070 3.007 -17.948 1.00 1.00 C ATOM 113 CG2 ILE A 8 4.177 2.226 -19.380 1.00 1.00 C ATOM 114 CD1 ILE A 8 6.694 4.011 -18.919 1.00 1.00 C ATOM 0 H ILE A 8 7.350 0.752 -17.511 1.00 1.00 H new ATOM 0 HA ILE A 8 4.591 0.951 -16.988 1.00 1.00 H new ATOM 0 HB ILE A 8 6.210 1.526 -19.510 1.00 1.00 H new ATOM 0 HG12 ILE A 8 5.279 3.486 -17.372 1.00 1.00 H new ATOM 0 HG13 ILE A 8 6.818 2.661 -17.235 1.00 1.00 H new ATOM 0 HG21 ILE A 8 4.343 3.063 -20.058 1.00 1.00 H new ATOM 0 HG22 ILE A 8 3.772 1.382 -19.938 1.00 1.00 H new ATOM 0 HG23 ILE A 8 3.470 2.521 -18.605 1.00 1.00 H new ATOM 0 HD11 ILE A 8 7.097 4.855 -18.360 1.00 1.00 H new ATOM 0 HD12 ILE A 8 7.497 3.528 -19.476 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.933 4.366 -19.614 1.00 1.00 H new ATOM 126 N ARG A 9 5.492 -1.351 -19.142 1.00 1.00 N ATOM 127 CA ARG A 9 5.011 -2.498 -19.905 1.00 1.00 C ATOM 128 C ARG A 9 4.380 -3.532 -18.979 1.00 1.00 C ATOM 129 O ARG A 9 3.446 -4.237 -19.364 1.00 1.00 O ATOM 130 CB ARG A 9 6.169 -3.138 -20.671 1.00 1.00 C ATOM 131 CG ARG A 9 6.507 -2.285 -21.896 1.00 1.00 C ATOM 132 CD ARG A 9 5.792 -2.847 -23.126 1.00 1.00 C ATOM 133 NE ARG A 9 6.213 -4.221 -23.373 1.00 1.00 N ATOM 134 CZ ARG A 9 7.419 -4.494 -23.863 1.00 1.00 C ATOM 135 NH1 ARG A 9 8.247 -3.523 -24.138 1.00 1.00 N ATOM 136 NH2 ARG A 9 7.774 -5.732 -24.071 1.00 1.00 N ATOM 0 H ARG A 9 6.507 -1.258 -19.110 1.00 1.00 H new ATOM 0 HA ARG A 9 4.256 -2.150 -20.610 1.00 1.00 H new ATOM 0 HB2 ARG A 9 7.042 -3.226 -20.024 1.00 1.00 H new ATOM 0 HB3 ARG A 9 5.899 -4.148 -20.981 1.00 1.00 H new ATOM 0 HG2 ARG A 9 6.204 -1.252 -21.727 1.00 1.00 H new ATOM 0 HG3 ARG A 9 7.584 -2.278 -22.061 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.713 -2.812 -22.975 1.00 1.00 H new ATOM 0 HD3 ARG A 9 6.013 -2.230 -23.997 1.00 1.00 H new ATOM 0 HE ARG A 9 5.571 -4.986 -23.166 1.00 1.00 H new ATOM 0 HH11 ARG A 9 7.969 -2.555 -23.977 1.00 1.00 H new ATOM 0 HH12 ARG A 9 9.172 -3.732 -24.514 1.00 1.00 H new ATOM 0 HH21 ARG A 9 7.127 -6.491 -23.858 1.00 1.00 H new ATOM 0 HH22 ARG A 9 8.699 -5.941 -24.447 1.00 1.00 H new ATOM 150 N GLU A 10 4.897 -3.621 -17.757 1.00 1.00 N ATOM 151 CA GLU A 10 4.376 -4.577 -16.785 1.00 1.00 C ATOM 152 C GLU A 10 2.992 -4.153 -16.302 1.00 1.00 C ATOM 153 O GLU A 10 2.116 -4.990 -16.090 1.00 1.00 O ATOM 154 CB GLU A 10 5.326 -4.675 -15.591 1.00 1.00 C ATOM 155 CG GLU A 10 6.487 -5.610 -15.936 1.00 1.00 C ATOM 156 CD GLU A 10 7.465 -5.677 -14.768 1.00 1.00 C ATOM 157 OE1 GLU A 10 8.187 -4.714 -14.569 1.00 1.00 O ATOM 158 OE2 GLU A 10 7.476 -6.689 -14.087 1.00 1.00 O ATOM 0 H GLU A 10 5.670 -3.048 -17.418 1.00 1.00 H new ATOM 0 HA GLU A 10 4.296 -5.551 -17.269 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.706 -3.686 -15.333 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.792 -5.049 -14.718 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.108 -6.607 -16.162 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.999 -5.254 -16.830 1.00 1.00 H new ATOM 165 N CYS A 11 2.805 -2.849 -16.127 1.00 1.00 N ATOM 166 CA CYS A 11 1.522 -2.328 -15.667 1.00 1.00 C ATOM 167 C CYS A 11 0.552 -2.182 -16.834 1.00 1.00 C ATOM 168 O CYS A 11 -0.655 -2.356 -16.675 1.00 1.00 O ATOM 169 CB CYS A 11 1.722 -0.971 -14.991 1.00 1.00 C ATOM 170 SG CYS A 11 2.026 -1.217 -13.224 1.00 1.00 S ATOM 0 H CYS A 11 3.518 -2.139 -16.295 1.00 1.00 H new ATOM 0 HA CYS A 11 1.102 -3.032 -14.949 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.562 -0.446 -15.446 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.840 -0.347 -15.136 1.00 1.00 H new ATOM 0 HG CYS A 11 2.198 -0.064 -12.649 1.00 1.00 H new ATOM 175 N ARG A 12 1.090 -1.863 -18.008 1.00 1.00 N ATOM 176 CA ARG A 12 0.260 -1.698 -19.196 1.00 1.00 C ATOM 177 C ARG A 12 -0.403 -3.020 -19.571 1.00 1.00 C ATOM 178 O ARG A 12 -1.604 -3.071 -19.833 1.00 1.00 O ATOM 179 CB ARG A 12 1.113 -1.200 -20.364 1.00 1.00 C ATOM 180 CG ARG A 12 0.235 -1.050 -21.608 1.00 1.00 C ATOM 181 CD ARG A 12 0.554 -2.172 -22.598 1.00 1.00 C ATOM 182 NE ARG A 12 1.860 -1.951 -23.208 1.00 1.00 N ATOM 183 CZ ARG A 12 2.166 -2.476 -24.389 1.00 1.00 C ATOM 184 NH1 ARG A 12 1.289 -3.205 -25.025 1.00 1.00 N ATOM 185 NH2 ARG A 12 3.341 -2.264 -24.915 1.00 1.00 N ATOM 0 H ARG A 12 2.088 -1.715 -18.161 1.00 1.00 H new ATOM 0 HA ARG A 12 -0.516 -0.965 -18.977 1.00 1.00 H new ATOM 0 HB2 ARG A 12 1.572 -0.244 -20.112 1.00 1.00 H new ATOM 0 HB3 ARG A 12 1.924 -1.901 -20.561 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -0.818 -1.086 -21.329 1.00 1.00 H new ATOM 0 HG3 ARG A 12 0.409 -0.080 -22.074 1.00 1.00 H new ATOM 0 HD2 ARG A 12 0.543 -3.134 -22.085 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -0.214 -2.214 -23.371 1.00 1.00 H new ATOM 0 HE ARG A 12 2.551 -1.383 -22.719 1.00 1.00 H new ATOM 0 HH11 ARG A 12 0.370 -3.371 -24.615 1.00 1.00 H new ATOM 0 HH12 ARG A 12 1.523 -3.609 -25.932 1.00 1.00 H new ATOM 0 HH21 ARG A 12 4.026 -1.694 -24.419 1.00 1.00 H new ATOM 0 HH22 ARG A 12 3.574 -2.668 -25.822 1.00 1.00 H new ATOM 199 N LEU A 13 0.390 -4.086 -19.595 1.00 1.00 N ATOM 200 CA LEU A 13 -0.132 -5.405 -19.939 1.00 1.00 C ATOM 201 C LEU A 13 -1.259 -5.794 -18.988 1.00 1.00 C ATOM 202 O LEU A 13 -2.335 -6.208 -19.420 1.00 1.00 O ATOM 203 CB LEU A 13 0.993 -6.444 -19.862 1.00 1.00 C ATOM 204 CG LEU A 13 0.496 -7.801 -20.380 1.00 1.00 C ATOM 205 CD1 LEU A 13 0.147 -7.704 -21.870 1.00 1.00 C ATOM 206 CD2 LEU A 13 1.594 -8.847 -20.187 1.00 1.00 C ATOM 0 H LEU A 13 1.387 -4.065 -19.383 1.00 1.00 H new ATOM 0 HA LEU A 13 -0.526 -5.373 -20.955 1.00 1.00 H new ATOM 0 HB2 LEU A 13 1.847 -6.111 -20.453 1.00 1.00 H new ATOM 0 HB3 LEU A 13 1.337 -6.543 -18.832 1.00 1.00 H new ATOM 0 HG LEU A 13 -0.396 -8.089 -19.824 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -0.204 -8.673 -22.225 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.636 -6.960 -22.012 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.033 -7.411 -22.433 1.00 1.00 H new ATOM 0 HD21 LEU A 13 1.245 -9.812 -20.554 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.483 -8.548 -20.742 1.00 1.00 H new ATOM 0 HD23 LEU A 13 1.838 -8.928 -19.128 1.00 1.00 H new ATOM 218 N ALA A 14 -1.003 -5.657 -17.691 1.00 1.00 N ATOM 219 CA ALA A 14 -2.003 -5.994 -16.683 1.00 1.00 C ATOM 220 C ALA A 14 -3.243 -5.122 -16.842 1.00 1.00 C ATOM 221 O ALA A 14 -4.347 -5.520 -16.473 1.00 1.00 O ATOM 222 CB ALA A 14 -1.418 -5.802 -15.283 1.00 1.00 C ATOM 0 H ALA A 14 -0.118 -5.317 -17.315 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.289 -7.037 -16.818 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.171 -6.056 -14.536 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.551 -6.451 -15.159 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.115 -4.763 -15.155 1.00 1.00 H new ATOM 228 N GLN A 15 -3.054 -3.928 -17.396 1.00 1.00 N ATOM 229 CA GLN A 15 -4.165 -3.007 -17.601 1.00 1.00 C ATOM 230 C GLN A 15 -4.983 -3.418 -18.822 1.00 1.00 C ATOM 231 O GLN A 15 -6.062 -2.880 -19.069 1.00 1.00 O ATOM 232 CB GLN A 15 -3.640 -1.584 -17.792 1.00 1.00 C ATOM 233 CG GLN A 15 -4.076 -0.715 -16.611 1.00 1.00 C ATOM 234 CD GLN A 15 -3.472 0.679 -16.736 1.00 1.00 C ATOM 235 OE1 GLN A 15 -3.502 1.277 -17.812 1.00 1.00 O ATOM 236 NE2 GLN A 15 -2.922 1.237 -15.692 1.00 1.00 N ATOM 0 H GLN A 15 -2.148 -3.578 -17.709 1.00 1.00 H new ATOM 0 HA GLN A 15 -4.805 -3.040 -16.719 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -2.553 -1.594 -17.868 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -4.021 -1.167 -18.724 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -5.163 -0.647 -16.581 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -3.759 -1.175 -15.675 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -2.898 0.740 -14.801 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -2.516 2.170 -15.767 1.00 1.00 H new ATOM 598 N ALA A 45 6.314 -10.280 -5.811 1.00 1.00 N ATOM 599 CA ALA A 45 7.757 -10.447 -5.947 1.00 1.00 C ATOM 600 C ALA A 45 8.511 -9.317 -5.250 1.00 1.00 C ATOM 601 O ALA A 45 9.559 -9.543 -4.644 1.00 1.00 O ATOM 602 CB ALA A 45 8.139 -10.478 -7.428 1.00 1.00 C ATOM 0 HA ALA A 45 8.034 -11.389 -5.474 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.218 -10.603 -7.523 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.633 -11.310 -7.917 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.839 -9.543 -7.901 1.00 1.00 H new ATOM 608 N ILE A 46 7.982 -8.100 -5.347 1.00 1.00 N ATOM 609 CA ILE A 46 8.631 -6.950 -4.725 1.00 1.00 C ATOM 610 C ILE A 46 8.034 -6.660 -3.350 1.00 1.00 C ATOM 611 O ILE A 46 8.693 -6.077 -2.489 1.00 1.00 O ATOM 612 CB ILE A 46 8.468 -5.719 -5.621 1.00 1.00 C ATOM 613 CG1 ILE A 46 6.988 -5.526 -5.959 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.261 -5.919 -6.913 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.796 -4.177 -6.656 1.00 1.00 C ATOM 0 H ILE A 46 7.117 -7.886 -5.844 1.00 1.00 H new ATOM 0 HA ILE A 46 9.689 -7.181 -4.601 1.00 1.00 H new ATOM 0 HB ILE A 46 8.840 -4.838 -5.098 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.643 -6.334 -6.605 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.388 -5.566 -5.050 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.145 -5.043 -7.551 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.316 -6.057 -6.675 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.889 -6.800 -7.436 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.742 -4.039 -6.897 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.125 -3.376 -5.995 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.384 -4.155 -7.574 1.00 1.00 H new ATOM 627 N ALA A 47 6.788 -7.068 -3.152 1.00 1.00 N ATOM 628 CA ALA A 47 6.113 -6.847 -1.878 1.00 1.00 C ATOM 629 C ALA A 47 6.794 -7.630 -0.760 1.00 1.00 C ATOM 630 O ALA A 47 6.654 -7.298 0.417 1.00 1.00 O ATOM 631 CB ALA A 47 4.647 -7.270 -1.982 1.00 1.00 C ATOM 0 H ALA A 47 6.226 -7.551 -3.852 1.00 1.00 H new ATOM 0 HA ALA A 47 6.169 -5.784 -1.643 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.151 -7.101 -1.026 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.153 -6.683 -2.756 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.591 -8.328 -2.238 1.00 1.00 H new ATOM 637 N ASN A 48 7.531 -8.668 -1.135 1.00 1.00 N ATOM 638 CA ASN A 48 8.229 -9.492 -0.156 1.00 1.00 C ATOM 639 C ASN A 48 9.557 -8.848 0.219 1.00 1.00 C ATOM 640 O ASN A 48 10.274 -9.336 1.093 1.00 1.00 O ATOM 641 CB ASN A 48 8.478 -10.889 -0.727 1.00 1.00 C ATOM 642 CG ASN A 48 7.459 -11.873 -0.163 1.00 1.00 C ATOM 643 OD1 ASN A 48 7.253 -11.925 1.050 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.807 -12.660 -0.973 1.00 1.00 N ATOM 0 H ASN A 48 7.661 -8.958 -2.104 1.00 1.00 H new ATOM 0 HA ASN A 48 7.608 -9.576 0.736 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.408 -10.864 -1.814 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.488 -11.217 -0.480 1.00 1.00 H new ATOM 0 HD21 ASN A 48 6.124 -13.321 -0.602 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.980 -12.615 -1.977 1.00 1.00 H new ATOM 651 N PHE A 49 9.876 -7.751 -0.454 1.00 1.00 N ATOM 652 CA PHE A 49 11.119 -7.041 -0.195 1.00 1.00 C ATOM 653 C PHE A 49 10.876 -5.850 0.730 1.00 1.00 C ATOM 654 O PHE A 49 11.766 -5.028 0.949 1.00 1.00 O ATOM 655 CB PHE A 49 11.718 -6.561 -1.519 1.00 1.00 C ATOM 656 CG PHE A 49 12.910 -7.420 -1.870 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.791 -8.815 -1.863 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.133 -6.823 -2.198 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.896 -9.613 -2.185 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.239 -7.621 -2.518 1.00 1.00 C ATOM 661 CZ PHE A 49 15.119 -9.017 -2.512 1.00 1.00 C ATOM 0 H PHE A 49 9.293 -7.335 -1.181 1.00 1.00 H new ATOM 0 HA PHE A 49 11.817 -7.720 0.296 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.970 -6.616 -2.310 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.020 -5.517 -1.437 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.848 -9.275 -1.609 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.224 -5.747 -2.204 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.804 -10.689 -2.181 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.183 -7.161 -2.769 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.971 -9.633 -2.760 1.00 1.00 H new ATOM 671 N LEU A 50 9.666 -5.774 1.275 1.00 1.00 N ATOM 672 CA LEU A 50 9.309 -4.688 2.183 1.00 1.00 C ATOM 673 C LEU A 50 8.553 -5.237 3.394 1.00 1.00 C ATOM 674 O LEU A 50 7.372 -5.570 3.301 1.00 1.00 O ATOM 675 CB LEU A 50 8.429 -3.660 1.453 1.00 1.00 C ATOM 676 CG LEU A 50 9.282 -2.748 0.553 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.757 -2.807 -0.884 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.185 -1.307 1.060 1.00 1.00 C ATOM 0 H LEU A 50 8.919 -6.448 1.105 1.00 1.00 H new ATOM 0 HA LEU A 50 10.225 -4.204 2.523 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.682 -4.177 0.850 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.888 -3.056 2.181 1.00 1.00 H new ATOM 0 HG LEU A 50 10.319 -3.083 0.577 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.362 -2.161 -1.519 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.814 -3.832 -1.250 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.721 -2.470 -0.907 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.788 -0.657 0.426 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.146 -0.980 1.031 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.553 -1.256 2.085 1.00 1.00 H new ATOM 690 N GLU A 51 9.244 -5.328 4.530 1.00 1.00 N ATOM 691 CA GLU A 51 8.624 -5.838 5.755 1.00 1.00 C ATOM 692 C GLU A 51 7.294 -5.123 6.016 1.00 1.00 C ATOM 693 O GLU A 51 7.086 -4.006 5.543 1.00 1.00 O ATOM 694 CB GLU A 51 9.557 -5.635 6.961 1.00 1.00 C ATOM 695 CG GLU A 51 10.925 -5.129 6.501 1.00 1.00 C ATOM 696 CD GLU A 51 11.582 -6.162 5.593 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.874 -7.030 5.108 1.00 1.00 O ATOM 698 OE2 GLU A 51 12.784 -6.075 5.400 1.00 1.00 O ATOM 0 H GLU A 51 10.223 -5.059 4.629 1.00 1.00 H new ATOM 0 HA GLU A 51 8.442 -6.904 5.622 1.00 1.00 H new ATOM 0 HB2 GLU A 51 9.113 -4.921 7.655 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.673 -6.575 7.501 1.00 1.00 H new ATOM 0 HG2 GLU A 51 10.813 -4.184 5.970 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.560 -4.935 7.365 1.00 1.00 H new ATOM 705 N PRO A 52 6.396 -5.738 6.751 1.00 1.00 N ATOM 706 CA PRO A 52 5.064 -5.135 7.066 1.00 1.00 C ATOM 707 C PRO A 52 5.180 -3.840 7.868 1.00 1.00 C ATOM 708 O PRO A 52 4.587 -2.823 7.508 1.00 1.00 O ATOM 709 CB PRO A 52 4.336 -6.216 7.873 1.00 1.00 C ATOM 710 CG PRO A 52 5.397 -7.143 8.364 1.00 1.00 C ATOM 711 CD PRO A 52 6.545 -7.069 7.362 1.00 1.00 C ATOM 0 HA PRO A 52 4.533 -4.853 6.157 1.00 1.00 H new ATOM 0 HB2 PRO A 52 3.785 -5.778 8.705 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.611 -6.745 7.254 1.00 1.00 H new ATOM 0 HG2 PRO A 52 5.733 -6.853 9.359 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.016 -8.161 8.440 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.512 -7.177 7.853 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.476 -7.861 6.616 1.00 1.00 H new ATOM 719 N GLN A 53 5.939 -3.883 8.960 1.00 1.00 N ATOM 720 CA GLN A 53 6.111 -2.700 9.800 1.00 1.00 C ATOM 721 C GLN A 53 6.750 -1.573 8.999 1.00 1.00 C ATOM 722 O GLN A 53 6.280 -0.435 9.017 1.00 1.00 O ATOM 723 CB GLN A 53 6.994 -3.037 11.003 1.00 1.00 C ATOM 724 CG GLN A 53 6.529 -2.235 12.219 1.00 1.00 C ATOM 725 CD GLN A 53 6.532 -0.745 11.892 1.00 1.00 C ATOM 726 OE1 GLN A 53 5.508 -0.076 12.029 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.629 -0.183 11.465 1.00 1.00 N ATOM 0 H GLN A 53 6.439 -4.712 9.281 1.00 1.00 H new ATOM 0 HA GLN A 53 5.131 -2.377 10.151 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.943 -4.105 11.217 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.035 -2.806 10.779 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.527 -2.550 12.511 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.185 -2.431 13.067 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.477 -0.739 11.352 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.639 0.813 11.244 1.00 1.00 H new ATOM 736 N ALA A 54 7.818 -1.904 8.284 1.00 1.00 N ATOM 737 CA ALA A 54 8.511 -0.920 7.464 1.00 1.00 C ATOM 738 C ALA A 54 7.573 -0.388 6.394 1.00 1.00 C ATOM 739 O ALA A 54 7.700 0.753 5.947 1.00 1.00 O ATOM 740 CB ALA A 54 9.737 -1.552 6.806 1.00 1.00 C ATOM 0 H ALA A 54 8.221 -2.841 8.255 1.00 1.00 H new ATOM 0 HA ALA A 54 8.835 -0.097 8.101 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.247 -0.807 6.195 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.416 -1.916 7.577 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.423 -2.384 6.176 1.00 1.00 H new ATOM 746 N LEU A 55 6.630 -1.226 5.989 1.00 1.00 N ATOM 747 CA LEU A 55 5.667 -0.835 4.966 1.00 1.00 C ATOM 748 C LEU A 55 4.859 0.373 5.429 1.00 1.00 C ATOM 749 O LEU A 55 4.464 1.215 4.623 1.00 1.00 O ATOM 750 CB LEU A 55 4.720 -1.999 4.664 1.00 1.00 C ATOM 751 CG LEU A 55 4.718 -2.284 3.160 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.777 -3.452 2.863 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.243 -1.043 2.400 1.00 1.00 C ATOM 0 H LEU A 55 6.510 -2.173 6.348 1.00 1.00 H new ATOM 0 HA LEU A 55 6.214 -0.570 4.061 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.034 -2.887 5.212 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.712 -1.757 5.000 1.00 1.00 H new ATOM 0 HG LEU A 55 5.729 -2.539 2.841 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.776 -3.655 1.792 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.116 -4.338 3.400 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.767 -3.197 3.185 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.243 -1.250 1.330 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.233 -0.785 2.720 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.914 -0.210 2.609 1.00 1.00 H new ATOM 765 N GLU A 56 4.619 0.449 6.734 1.00 1.00 N ATOM 766 CA GLU A 56 3.854 1.556 7.298 1.00 1.00 C ATOM 767 C GLU A 56 4.668 2.846 7.283 1.00 1.00 C ATOM 768 O GLU A 56 4.127 3.926 7.046 1.00 1.00 O ATOM 769 CB GLU A 56 3.443 1.228 8.735 1.00 1.00 C ATOM 770 CG GLU A 56 1.985 1.635 8.952 1.00 1.00 C ATOM 771 CD GLU A 56 1.607 1.465 10.419 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.467 1.078 11.192 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.460 1.724 10.748 1.00 1.00 O ATOM 0 H GLU A 56 4.940 -0.237 7.417 1.00 1.00 H new ATOM 0 HA GLU A 56 2.964 1.700 6.686 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.567 0.162 8.926 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.088 1.755 9.439 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.840 2.672 8.649 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.332 1.026 8.327 1.00 1.00 H new ATOM 780 N ARG A 57 5.967 2.733 7.547 1.00 1.00 N ATOM 781 CA ARG A 57 6.834 3.900 7.571 1.00 1.00 C ATOM 782 C ARG A 57 6.806 4.624 6.228 1.00 1.00 C ATOM 783 O ARG A 57 6.502 5.814 6.164 1.00 1.00 O ATOM 784 CB ARG A 57 8.263 3.447 7.906 1.00 1.00 C ATOM 785 CG ARG A 57 9.262 4.601 7.759 1.00 1.00 C ATOM 786 CD ARG A 57 8.903 5.733 8.719 1.00 1.00 C ATOM 787 NE ARG A 57 10.115 6.263 9.313 1.00 1.00 N ATOM 788 CZ ARG A 57 10.147 7.483 9.839 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.076 8.228 9.826 1.00 1.00 N ATOM 790 NH2 ARG A 57 11.251 7.936 10.369 1.00 1.00 N ATOM 0 H ARG A 57 6.437 1.850 7.746 1.00 1.00 H new ATOM 0 HA ARG A 57 6.481 4.597 8.330 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.295 3.063 8.926 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.551 2.628 7.247 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.272 4.246 7.965 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.256 4.969 6.733 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.371 6.521 8.186 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.234 5.366 9.497 1.00 1.00 H new ATOM 0 HE ARG A 57 10.958 5.689 9.327 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.214 7.874 9.412 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.101 9.164 10.230 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.088 7.354 10.379 1.00 1.00 H new ATOM 0 HH22 ARG A 57 11.276 8.872 10.773 1.00 1.00 H new ATOM 804 N LEU A 58 7.127 3.904 5.161 1.00 1.00 N ATOM 805 CA LEU A 58 7.136 4.502 3.832 1.00 1.00 C ATOM 806 C LEU A 58 5.751 5.062 3.500 1.00 1.00 C ATOM 807 O LEU A 58 5.623 6.109 2.869 1.00 1.00 O ATOM 808 CB LEU A 58 7.550 3.453 2.790 1.00 1.00 C ATOM 809 CG LEU A 58 7.438 4.025 1.370 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.234 5.327 1.261 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.003 3.010 0.372 1.00 1.00 C ATOM 0 H LEU A 58 7.382 2.917 5.188 1.00 1.00 H new ATOM 0 HA LEU A 58 7.857 5.319 3.814 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.574 3.131 2.978 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.916 2.571 2.883 1.00 1.00 H new ATOM 0 HG LEU A 58 6.390 4.226 1.150 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.147 5.723 0.249 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.840 6.055 1.971 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.283 5.132 1.485 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.926 3.412 -0.638 1.00 1.00 H new ATOM 0 HD22 LEU A 58 9.049 2.814 0.606 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.436 2.081 0.438 1.00 1.00 H new ATOM 823 N SER A 59 4.717 4.353 3.935 1.00 1.00 N ATOM 824 CA SER A 59 3.348 4.791 3.696 1.00 1.00 C ATOM 825 C SER A 59 3.047 6.075 4.471 1.00 1.00 C ATOM 826 O SER A 59 2.350 6.964 3.980 1.00 1.00 O ATOM 827 CB SER A 59 2.367 3.697 4.120 1.00 1.00 C ATOM 828 OG SER A 59 1.864 3.044 2.963 1.00 1.00 O ATOM 0 H SER A 59 4.799 3.478 4.452 1.00 1.00 H new ATOM 0 HA SER A 59 3.234 4.989 2.630 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.865 2.978 4.770 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.547 4.130 4.693 1.00 1.00 H new ATOM 0 HG SER A 59 1.236 2.341 3.231 1.00 1.00 H new ATOM 834 N ARG A 60 3.559 6.147 5.700 1.00 1.00 N ATOM 835 CA ARG A 60 3.329 7.304 6.565 1.00 1.00 C ATOM 836 C ARG A 60 3.994 8.569 6.025 1.00 1.00 C ATOM 837 O ARG A 60 3.383 9.637 6.002 1.00 1.00 O ATOM 838 CB ARG A 60 3.872 7.011 7.966 1.00 1.00 C ATOM 839 CG ARG A 60 3.563 8.186 8.896 1.00 1.00 C ATOM 840 CD ARG A 60 2.873 7.670 10.159 1.00 1.00 C ATOM 841 NE ARG A 60 2.643 8.764 11.095 1.00 1.00 N ATOM 842 CZ ARG A 60 1.725 9.693 10.853 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.015 9.642 9.760 1.00 1.00 N ATOM 844 NH2 ARG A 60 1.534 10.660 11.709 1.00 1.00 N ATOM 0 H ARG A 60 4.136 5.417 6.119 1.00 1.00 H new ATOM 0 HA ARG A 60 2.254 7.479 6.599 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.423 6.098 8.357 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.948 6.843 7.922 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.484 8.707 9.159 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.923 8.907 8.388 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.924 7.201 9.897 1.00 1.00 H new ATOM 0 HD3 ARG A 60 3.488 6.903 10.630 1.00 1.00 H new ATOM 0 HE ARG A 60 3.196 8.817 11.950 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.164 8.888 9.090 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.310 10.356 9.576 1.00 1.00 H new ATOM 0 HH21 ARG A 60 2.090 10.702 12.563 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.829 11.374 11.523 1.00 1.00 H new ATOM 858 N VAL A 61 5.246 8.450 5.602 1.00 1.00 N ATOM 859 CA VAL A 61 5.976 9.602 5.077 1.00 1.00 C ATOM 860 C VAL A 61 5.377 10.059 3.749 1.00 1.00 C ATOM 861 O VAL A 61 5.241 11.258 3.498 1.00 1.00 O ATOM 862 CB VAL A 61 7.454 9.247 4.883 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.566 8.027 3.984 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.188 10.426 4.241 1.00 1.00 C ATOM 0 H VAL A 61 5.775 7.578 5.611 1.00 1.00 H new ATOM 0 HA VAL A 61 5.894 10.416 5.797 1.00 1.00 H new ATOM 0 HB VAL A 61 7.904 9.029 5.851 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.617 7.773 3.845 1.00 1.00 H new ATOM 0 HG12 VAL A 61 7.047 7.186 4.445 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.114 8.245 3.016 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.239 10.170 4.105 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.740 10.650 3.273 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.109 11.300 4.888 1.00 1.00 H new ATOM 874 N ALA A 62 5.026 9.100 2.898 1.00 1.00 N ATOM 875 CA ALA A 62 4.448 9.415 1.596 1.00 1.00 C ATOM 876 C ALA A 62 3.266 10.368 1.740 1.00 1.00 C ATOM 877 O ALA A 62 3.054 11.241 0.900 1.00 1.00 O ATOM 878 CB ALA A 62 3.987 8.131 0.905 1.00 1.00 C ATOM 0 H ALA A 62 5.131 8.103 3.085 1.00 1.00 H new ATOM 0 HA ALA A 62 5.215 9.901 0.993 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.557 8.375 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.839 7.466 0.768 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.236 7.636 1.521 1.00 1.00 H new ATOM 884 N LEU A 63 2.495 10.194 2.809 1.00 1.00 N ATOM 885 CA LEU A 63 1.335 11.047 3.047 1.00 1.00 C ATOM 886 C LEU A 63 1.764 12.500 3.219 1.00 1.00 C ATOM 887 O LEU A 63 0.949 13.415 3.086 1.00 1.00 O ATOM 888 CB LEU A 63 0.591 10.583 4.300 1.00 1.00 C ATOM 889 CG LEU A 63 -0.256 9.353 3.963 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.425 8.488 5.215 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.633 9.802 3.469 1.00 1.00 C ATOM 0 H LEU A 63 2.650 9.477 3.518 1.00 1.00 H new ATOM 0 HA LEU A 63 0.673 10.974 2.184 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.302 10.343 5.090 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.045 11.384 4.676 1.00 1.00 H new ATOM 0 HG LEU A 63 0.241 8.774 3.185 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.028 7.613 4.974 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.554 8.167 5.570 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.922 9.067 5.993 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.237 8.927 3.229 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.128 10.381 4.248 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.517 10.418 2.577 1.00 1.00 H new ATOM 903 N VAL A 64 3.044 12.704 3.518 1.00 1.00 N ATOM 904 CA VAL A 64 3.572 14.049 3.711 1.00 1.00 C ATOM 905 C VAL A 64 4.467 14.452 2.543 1.00 1.00 C ATOM 906 O VAL A 64 4.351 15.559 2.017 1.00 1.00 O ATOM 907 CB VAL A 64 4.368 14.115 5.016 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.088 15.446 5.716 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.944 12.964 5.931 1.00 1.00 C ATOM 0 H VAL A 64 3.731 11.959 3.631 1.00 1.00 H new ATOM 0 HA VAL A 64 2.733 14.743 3.762 1.00 1.00 H new ATOM 0 HB VAL A 64 5.432 14.034 4.796 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.655 15.494 6.646 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.386 16.269 5.066 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.023 15.525 5.935 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.511 13.011 6.861 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.880 13.047 6.150 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.139 12.014 5.434 1.00 1.00 H new ATOM 919 N ARG A 65 5.356 13.547 2.139 1.00 1.00 N ATOM 920 CA ARG A 65 6.261 13.822 1.027 1.00 1.00 C ATOM 921 C ARG A 65 6.328 12.634 0.076 1.00 1.00 C ATOM 922 O ARG A 65 7.253 11.824 0.143 1.00 1.00 O ATOM 923 CB ARG A 65 7.667 14.128 1.544 1.00 1.00 C ATOM 924 CG ARG A 65 7.677 15.482 2.258 1.00 1.00 C ATOM 925 CD ARG A 65 8.302 15.324 3.645 1.00 1.00 C ATOM 926 NE ARG A 65 8.508 16.631 4.257 1.00 1.00 N ATOM 927 CZ ARG A 65 9.106 16.749 5.438 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.520 15.685 6.069 1.00 1.00 N ATOM 929 NH2 ARG A 65 9.280 17.931 5.965 1.00 1.00 N ATOM 0 H ARG A 65 5.468 12.625 2.561 1.00 1.00 H new ATOM 0 HA ARG A 65 5.873 14.688 0.491 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.991 13.344 2.228 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.374 14.139 0.715 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.242 16.209 1.674 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.661 15.865 2.347 1.00 1.00 H new ATOM 0 HD2 ARG A 65 7.654 14.717 4.277 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.253 14.798 3.565 1.00 1.00 H new ATOM 0 HE ARG A 65 8.188 17.469 3.771 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.385 14.762 5.656 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.979 15.776 6.975 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.957 18.763 5.470 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.739 18.023 6.871 1.00 1.00 H new ATOM 943 N ARG A 66 5.348 12.542 -0.811 1.00 1.00 N ATOM 944 CA ARG A 66 5.306 11.457 -1.781 1.00 1.00 C ATOM 945 C ARG A 66 6.549 11.480 -2.665 1.00 1.00 C ATOM 946 O ARG A 66 7.010 10.439 -3.133 1.00 1.00 O ATOM 947 CB ARG A 66 4.054 11.578 -2.651 1.00 1.00 C ATOM 948 CG ARG A 66 3.173 10.344 -2.452 1.00 1.00 C ATOM 949 CD ARG A 66 1.959 10.423 -3.379 1.00 1.00 C ATOM 950 NE ARG A 66 1.234 9.157 -3.367 1.00 1.00 N ATOM 951 CZ ARG A 66 -0.051 9.095 -3.702 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.684 10.179 -4.061 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.678 7.951 -3.674 1.00 1.00 N ATOM 0 H ARG A 66 4.574 13.203 -0.879 1.00 1.00 H new ATOM 0 HA ARG A 66 5.278 10.512 -1.238 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.501 12.479 -2.387 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.335 11.672 -3.700 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.744 9.440 -2.661 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.847 10.282 -1.414 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.300 11.231 -3.060 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.281 10.656 -4.394 1.00 1.00 H new ATOM 0 HE ARG A 66 1.722 8.303 -3.096 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -0.193 11.073 -4.084 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.670 10.132 -4.318 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.182 7.104 -3.395 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.664 7.903 -3.931 1.00 1.00 H new ATOM 967 N ASP A 67 7.078 12.677 -2.901 1.00 1.00 N ATOM 968 CA ASP A 67 8.260 12.831 -3.745 1.00 1.00 C ATOM 969 C ASP A 67 9.429 12.005 -3.214 1.00 1.00 C ATOM 970 O ASP A 67 10.105 11.314 -3.976 1.00 1.00 O ATOM 971 CB ASP A 67 8.665 14.305 -3.807 1.00 1.00 C ATOM 972 CG ASP A 67 9.723 14.507 -4.886 1.00 1.00 C ATOM 973 OD1 ASP A 67 9.345 14.679 -6.034 1.00 1.00 O ATOM 974 OD2 ASP A 67 10.896 14.486 -4.550 1.00 1.00 O ATOM 0 H ASP A 67 6.710 13.550 -2.523 1.00 1.00 H new ATOM 0 HA ASP A 67 8.010 12.473 -4.744 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.792 14.922 -4.021 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.053 14.626 -2.840 1.00 1.00 H new ATOM 979 N ARG A 68 9.668 12.087 -1.911 1.00 1.00 N ATOM 980 CA ARG A 68 10.763 11.348 -1.298 1.00 1.00 C ATOM 981 C ARG A 68 10.455 9.854 -1.262 1.00 1.00 C ATOM 982 O ARG A 68 11.335 9.023 -1.494 1.00 1.00 O ATOM 983 CB ARG A 68 10.991 11.862 0.122 1.00 1.00 C ATOM 984 CG ARG A 68 11.214 13.376 0.087 1.00 1.00 C ATOM 985 CD ARG A 68 11.312 13.916 1.514 1.00 1.00 C ATOM 986 NE ARG A 68 11.149 15.366 1.515 1.00 1.00 N ATOM 987 CZ ARG A 68 11.347 16.080 2.617 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.697 15.487 3.726 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.193 17.376 2.592 1.00 1.00 N ATOM 0 H ARG A 68 9.122 12.654 -1.262 1.00 1.00 H new ATOM 0 HA ARG A 68 11.663 11.499 -1.894 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.131 11.625 0.749 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.855 11.367 0.565 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.127 13.606 -0.463 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.393 13.862 -0.440 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.546 13.456 2.138 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.277 13.651 1.946 1.00 1.00 H new ATOM 0 HE ARG A 68 10.878 15.840 0.653 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.819 14.474 3.747 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.849 16.036 4.572 1.00 1.00 H new ATOM 0 HH21 ARG A 68 10.920 17.841 1.726 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.345 17.924 3.439 1.00 1.00 H new ATOM 1003 N ALA A 69 9.200 9.520 -0.983 1.00 1.00 N ATOM 1004 CA ALA A 69 8.782 8.123 -0.933 1.00 1.00 C ATOM 1005 C ALA A 69 8.860 7.486 -2.317 1.00 1.00 C ATOM 1006 O ALA A 69 9.123 6.292 -2.453 1.00 1.00 O ATOM 1007 CB ALA A 69 7.347 8.031 -0.411 1.00 1.00 C ATOM 0 H ALA A 69 8.458 10.192 -0.789 1.00 1.00 H new ATOM 0 HA ALA A 69 9.453 7.587 -0.262 1.00 1.00 H new ATOM 0 HB1 ALA A 69 7.039 6.986 -0.375 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.296 8.459 0.590 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.682 8.583 -1.075 1.00 1.00 H new ATOM 1013 N GLN A 70 8.610 8.298 -3.339 1.00 1.00 N ATOM 1014 CA GLN A 70 8.631 7.820 -4.717 1.00 1.00 C ATOM 1015 C GLN A 70 10.041 7.435 -5.157 1.00 1.00 C ATOM 1016 O GLN A 70 10.230 6.449 -5.868 1.00 1.00 O ATOM 1017 CB GLN A 70 8.101 8.916 -5.641 1.00 1.00 C ATOM 1018 CG GLN A 70 6.572 8.886 -5.644 1.00 1.00 C ATOM 1019 CD GLN A 70 6.021 10.168 -6.263 1.00 1.00 C ATOM 1020 OE1 GLN A 70 4.810 10.295 -6.440 1.00 1.00 O ATOM 1021 NE2 GLN A 70 6.837 11.128 -6.604 1.00 1.00 N ATOM 0 H GLN A 70 8.391 9.289 -3.239 1.00 1.00 H new ATOM 0 HA GLN A 70 8.001 6.932 -4.775 1.00 1.00 H new ATOM 0 HB2 GLN A 70 8.455 9.891 -5.307 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.480 8.769 -6.652 1.00 1.00 H new ATOM 0 HG2 GLN A 70 6.219 8.021 -6.206 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.201 8.777 -4.625 1.00 1.00 H new ATOM 0 HE21 GLN A 70 7.841 11.021 -6.456 1.00 1.00 H new ATOM 0 HE22 GLN A 70 6.471 11.985 -7.018 1.00 1.00 H new ATOM 1030 N ALA A 71 11.025 8.223 -4.741 1.00 1.00 N ATOM 1031 CA ALA A 71 12.408 7.953 -5.117 1.00 1.00 C ATOM 1032 C ALA A 71 12.918 6.673 -4.456 1.00 1.00 C ATOM 1033 O ALA A 71 13.660 5.908 -5.070 1.00 1.00 O ATOM 1034 CB ALA A 71 13.295 9.134 -4.727 1.00 1.00 C ATOM 0 H ALA A 71 10.895 9.044 -4.150 1.00 1.00 H new ATOM 0 HA ALA A 71 12.447 7.815 -6.198 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.326 8.924 -5.011 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.952 10.032 -5.241 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.240 9.290 -3.650 1.00 1.00 H new ATOM 1040 N VAL A 72 12.513 6.436 -3.210 1.00 1.00 N ATOM 1041 CA VAL A 72 12.945 5.229 -2.506 1.00 1.00 C ATOM 1042 C VAL A 72 12.463 3.995 -3.253 1.00 1.00 C ATOM 1043 O VAL A 72 13.226 3.067 -3.512 1.00 1.00 O ATOM 1044 CB VAL A 72 12.384 5.206 -1.086 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.069 4.093 -0.293 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.649 6.550 -0.406 1.00 1.00 C ATOM 0 H VAL A 72 11.899 7.050 -2.675 1.00 1.00 H new ATOM 0 HA VAL A 72 14.034 5.230 -2.459 1.00 1.00 H new ATOM 0 HB VAL A 72 11.310 5.026 -1.122 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.672 4.072 0.722 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.881 3.134 -0.776 1.00 1.00 H new ATOM 0 HG13 VAL A 72 14.143 4.278 -0.259 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.248 6.531 0.607 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.723 6.733 -0.367 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.166 7.346 -0.973 1.00 1.00 H new ATOM 1056 N GLU A 73 11.190 4.002 -3.602 1.00 1.00 N ATOM 1057 CA GLU A 73 10.601 2.887 -4.332 1.00 1.00 C ATOM 1058 C GLU A 73 11.395 2.627 -5.607 1.00 1.00 C ATOM 1059 O GLU A 73 11.538 1.484 -6.042 1.00 1.00 O ATOM 1060 CB GLU A 73 9.147 3.200 -4.687 1.00 1.00 C ATOM 1061 CG GLU A 73 8.214 2.425 -3.753 1.00 1.00 C ATOM 1062 CD GLU A 73 8.261 0.938 -4.089 1.00 1.00 C ATOM 1063 OE1 GLU A 73 9.017 0.575 -4.976 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.541 0.184 -3.455 1.00 1.00 O ATOM 0 H GLU A 73 10.543 4.763 -3.394 1.00 1.00 H new ATOM 0 HA GLU A 73 10.630 1.999 -3.701 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.962 4.270 -4.597 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.948 2.929 -5.724 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.511 2.582 -2.716 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.194 2.797 -3.852 1.00 1.00 H new ATOM 1071 N THR A 74 11.911 3.702 -6.199 1.00 1.00 N ATOM 1072 CA THR A 74 12.694 3.589 -7.424 1.00 1.00 C ATOM 1073 C THR A 74 14.069 3.002 -7.124 1.00 1.00 C ATOM 1074 O THR A 74 14.634 2.270 -7.936 1.00 1.00 O ATOM 1075 CB THR A 74 12.853 4.967 -8.070 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.577 5.583 -8.184 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.475 4.818 -9.459 1.00 1.00 C ATOM 0 H THR A 74 11.801 4.655 -5.852 1.00 1.00 H new ATOM 0 HA THR A 74 12.170 2.925 -8.112 1.00 1.00 H new ATOM 0 HB THR A 74 13.504 5.585 -7.451 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.291 5.907 -7.305 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.586 5.802 -9.915 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.454 4.346 -9.371 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.829 4.200 -10.083 1.00 1.00 H new ATOM 1085 N TYR A 75 14.604 3.333 -5.953 1.00 1.00 N ATOM 1086 CA TYR A 75 15.915 2.835 -5.554 1.00 1.00 C ATOM 1087 C TYR A 75 15.903 1.311 -5.462 1.00 1.00 C ATOM 1088 O TYR A 75 16.787 0.639 -5.995 1.00 1.00 O ATOM 1089 CB TYR A 75 16.305 3.434 -4.201 1.00 1.00 C ATOM 1090 CG TYR A 75 17.617 2.847 -3.750 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.646 1.598 -3.120 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.808 3.550 -3.966 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.865 1.051 -2.705 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.028 3.003 -3.552 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.057 1.753 -2.921 1.00 1.00 C ATOM 1096 OH TYR A 75 21.260 1.215 -2.512 1.00 1.00 O ATOM 0 H TYR A 75 14.153 3.940 -5.268 1.00 1.00 H new ATOM 0 HA TYR A 75 16.646 3.132 -6.306 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.388 4.518 -4.282 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.530 3.228 -3.463 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.727 1.056 -2.954 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.786 4.514 -4.452 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.887 0.087 -2.218 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.947 3.545 -3.719 1.00 1.00 H new ATOM 0 HH TYR A 75 21.988 1.831 -2.739 1.00 1.00 H new ATOM 1106 N LEU A 76 14.896 0.773 -4.784 1.00 1.00 N ATOM 1107 CA LEU A 76 14.771 -0.673 -4.625 1.00 1.00 C ATOM 1108 C LEU A 76 14.498 -1.349 -5.965 1.00 1.00 C ATOM 1109 O LEU A 76 15.043 -2.414 -6.252 1.00 1.00 O ATOM 1110 CB LEU A 76 13.626 -0.993 -3.661 1.00 1.00 C ATOM 1111 CG LEU A 76 13.649 -2.486 -3.299 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.904 -2.817 -2.481 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.407 -2.833 -2.473 1.00 1.00 C ATOM 0 H LEU A 76 14.156 1.313 -4.336 1.00 1.00 H new ATOM 0 HA LEU A 76 15.712 -1.051 -4.225 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.720 -0.389 -2.758 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.671 -0.736 -4.119 1.00 1.00 H new ATOM 0 HG LEU A 76 13.658 -3.069 -4.220 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.907 -3.878 -2.232 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.793 -2.579 -3.066 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.906 -2.229 -1.563 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.425 -3.892 -2.217 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.400 -2.239 -1.559 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.511 -2.615 -3.054 1.00 1.00 H new ATOM 1125 N LYS A 77 13.644 -0.733 -6.777 1.00 1.00 N ATOM 1126 CA LYS A 77 13.305 -1.296 -8.072 1.00 1.00 C ATOM 1127 C LYS A 77 14.566 -1.478 -8.913 1.00 1.00 C ATOM 1128 O LYS A 77 14.699 -2.460 -9.641 1.00 1.00 O ATOM 1129 CB LYS A 77 12.295 -0.374 -8.776 1.00 1.00 C ATOM 1130 CG LYS A 77 12.597 -0.275 -10.272 1.00 1.00 C ATOM 1131 CD LYS A 77 11.416 0.388 -10.987 1.00 1.00 C ATOM 1132 CE LYS A 77 11.246 1.825 -10.491 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.468 2.606 -11.494 1.00 1.00 N ATOM 0 H LYS A 77 13.179 0.149 -6.560 1.00 1.00 H new ATOM 0 HA LYS A 77 12.850 -2.277 -7.940 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.285 -0.756 -8.629 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.329 0.619 -8.328 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.506 0.305 -10.433 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.775 -1.268 -10.685 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.583 0.383 -12.064 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.504 -0.179 -10.803 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.731 1.831 -9.530 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.222 2.285 -10.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.351 3.583 -11.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.976 2.610 -12.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.532 2.171 -11.623 1.00 1.00 H new ATOM 1147 N LYS A 78 15.491 -0.532 -8.799 1.00 1.00 N ATOM 1148 CA LYS A 78 16.738 -0.611 -9.548 1.00 1.00 C ATOM 1149 C LYS A 78 17.596 -1.761 -9.027 1.00 1.00 C ATOM 1150 O LYS A 78 18.281 -2.433 -9.796 1.00 1.00 O ATOM 1151 CB LYS A 78 17.509 0.703 -9.425 1.00 1.00 C ATOM 1152 CG LYS A 78 17.715 1.306 -10.818 1.00 1.00 C ATOM 1153 CD LYS A 78 18.472 2.629 -10.696 1.00 1.00 C ATOM 1154 CE LYS A 78 17.615 3.762 -11.263 1.00 1.00 C ATOM 1155 NZ LYS A 78 17.361 3.516 -12.711 1.00 1.00 N ATOM 0 H LYS A 78 15.403 0.290 -8.202 1.00 1.00 H new ATOM 0 HA LYS A 78 16.502 -0.791 -10.597 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.961 1.401 -8.792 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.473 0.528 -8.946 1.00 1.00 H new ATOM 0 HG2 LYS A 78 18.273 0.612 -11.447 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.752 1.470 -11.301 1.00 1.00 H new ATOM 0 HD2 LYS A 78 18.712 2.828 -9.651 1.00 1.00 H new ATOM 0 HD3 LYS A 78 19.418 2.570 -11.234 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.670 3.823 -10.722 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.122 4.718 -11.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.288 4.426 -13.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.145 2.963 -13.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 16.472 2.988 -12.823 1.00 1.00 H new ATOM 1169 N LEU A 79 17.550 -1.980 -7.716 1.00 1.00 N ATOM 1170 CA LEU A 79 18.326 -3.054 -7.104 1.00 1.00 C ATOM 1171 C LEU A 79 17.778 -4.416 -7.520 1.00 1.00 C ATOM 1172 O LEU A 79 18.532 -5.303 -7.919 1.00 1.00 O ATOM 1173 CB LEU A 79 18.274 -2.931 -5.576 1.00 1.00 C ATOM 1174 CG LEU A 79 19.558 -2.279 -5.048 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.641 -0.832 -5.538 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.537 -2.294 -3.518 1.00 1.00 C ATOM 0 H LEU A 79 16.989 -1.434 -7.062 1.00 1.00 H new ATOM 0 HA LEU A 79 19.358 -2.969 -7.444 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.409 -2.336 -5.282 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.149 -3.917 -5.129 1.00 1.00 H new ATOM 0 HG LEU A 79 20.423 -2.834 -5.412 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.554 -0.372 -5.161 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.650 -0.817 -6.628 1.00 1.00 H new ATOM 0 HD13 LEU A 79 18.777 -0.275 -5.175 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.448 -1.832 -3.137 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.671 -1.738 -3.161 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.478 -3.324 -3.165 1.00 1.00 H new ATOM 1188 N ILE A 80 16.462 -4.574 -7.426 1.00 1.00 N ATOM 1189 CA ILE A 80 15.825 -5.832 -7.800 1.00 1.00 C ATOM 1190 C ILE A 80 15.903 -6.043 -9.307 1.00 1.00 C ATOM 1191 O ILE A 80 16.125 -7.160 -9.777 1.00 1.00 O ATOM 1192 CB ILE A 80 14.363 -5.840 -7.347 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.297 -5.586 -5.838 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.737 -7.201 -7.664 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.835 -5.485 -5.396 1.00 1.00 C ATOM 0 H ILE A 80 15.820 -3.853 -7.097 1.00 1.00 H new ATOM 0 HA ILE A 80 16.354 -6.646 -7.305 1.00 1.00 H new ATOM 0 HB ILE A 80 13.815 -5.058 -7.872 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.794 -6.394 -5.301 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.826 -4.666 -5.591 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.696 -7.207 -7.341 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.785 -7.382 -8.738 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.284 -7.984 -7.139 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.791 -5.304 -4.322 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.352 -4.662 -5.922 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.319 -6.417 -5.628 1.00 1.00 H new ATOM 1207 N ALA A 81 15.720 -4.965 -10.061 1.00 1.00 N ATOM 1208 CA ALA A 81 15.767 -5.042 -11.517 1.00 1.00 C ATOM 1209 C ALA A 81 17.193 -5.292 -11.997 1.00 1.00 C ATOM 1210 O ALA A 81 17.405 -5.887 -13.054 1.00 1.00 O ATOM 1211 CB ALA A 81 15.241 -3.742 -12.127 1.00 1.00 C ATOM 0 H ALA A 81 15.539 -4.032 -9.691 1.00 1.00 H new ATOM 0 HA ALA A 81 15.139 -5.873 -11.837 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.280 -3.808 -13.214 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.211 -3.582 -11.810 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.857 -2.908 -11.792 1.00 1.00 H new ATOM 1306 N LYS A 88 15.893 -7.634 2.045 1.00 1.00 N ATOM 1307 CA LYS A 88 14.548 -7.071 2.117 1.00 1.00 C ATOM 1308 C LYS A 88 14.580 -5.701 2.787 1.00 1.00 C ATOM 1309 O LYS A 88 14.956 -5.576 3.953 1.00 1.00 O ATOM 1310 CB LYS A 88 13.624 -8.005 2.906 1.00 1.00 C ATOM 1311 CG LYS A 88 14.113 -9.454 2.795 1.00 1.00 C ATOM 1312 CD LYS A 88 14.184 -9.865 1.322 1.00 1.00 C ATOM 1313 CE LYS A 88 13.661 -11.294 1.166 1.00 1.00 C ATOM 1314 NZ LYS A 88 14.472 -12.215 2.012 1.00 1.00 N ATOM 0 HA LYS A 88 14.167 -6.962 1.102 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.597 -7.702 3.953 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.606 -7.927 2.525 1.00 1.00 H new ATOM 0 HG2 LYS A 88 15.095 -9.553 3.257 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.438 -10.118 3.335 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.592 -9.181 0.714 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.212 -9.801 0.965 1.00 1.00 H new ATOM 0 HE2 LYS A 88 12.612 -11.343 1.459 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.715 -11.600 0.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.321 -13.196 1.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 15.479 -11.974 1.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.182 -12.119 3.006 1.00 1.00 H new ATOM 1328 N ILE A 89 14.186 -4.673 2.040 1.00 1.00 N ATOM 1329 CA ILE A 89 14.176 -3.313 2.570 1.00 1.00 C ATOM 1330 C ILE A 89 13.563 -3.281 3.967 1.00 1.00 C ATOM 1331 O ILE A 89 12.633 -4.029 4.264 1.00 1.00 O ATOM 1332 CB ILE A 89 13.403 -2.386 1.607 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.396 -1.393 0.985 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.291 -1.618 2.348 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.675 -0.452 0.017 1.00 1.00 C ATOM 0 H ILE A 89 13.872 -4.755 1.073 1.00 1.00 H new ATOM 0 HA ILE A 89 15.203 -2.957 2.652 1.00 1.00 H new ATOM 0 HB ILE A 89 12.931 -2.990 0.832 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.881 -0.814 1.771 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.181 -1.936 0.458 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.764 -0.973 1.645 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.589 -2.327 2.787 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.733 -1.010 3.137 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.393 0.245 -0.415 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.211 -1.035 -0.779 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.907 0.104 0.555 1.00 1.00 H new ATOM 1347 N THR A 90 14.086 -2.395 4.814 1.00 1.00 N ATOM 1348 CA THR A 90 13.584 -2.250 6.177 1.00 1.00 C ATOM 1349 C THR A 90 13.174 -0.803 6.443 1.00 1.00 C ATOM 1350 O THR A 90 13.505 0.096 5.668 1.00 1.00 O ATOM 1351 CB THR A 90 14.665 -2.669 7.177 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.748 -1.751 7.113 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.163 -4.073 6.836 1.00 1.00 C ATOM 0 H THR A 90 14.856 -1.768 4.579 1.00 1.00 H new ATOM 0 HA THR A 90 12.711 -2.892 6.296 1.00 1.00 H new ATOM 0 HB THR A 90 14.248 -2.670 8.184 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.440 -2.017 7.754 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.932 -4.369 7.549 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.332 -4.776 6.886 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.581 -4.076 5.829 1.00 1.00 H new ATOM 1361 N GLU A 91 12.454 -0.584 7.541 1.00 1.00 N ATOM 1362 CA GLU A 91 12.004 0.759 7.899 1.00 1.00 C ATOM 1363 C GLU A 91 13.185 1.721 7.963 1.00 1.00 C ATOM 1364 O GLU A 91 13.059 2.912 7.669 1.00 1.00 O ATOM 1365 CB GLU A 91 11.297 0.720 9.259 1.00 1.00 C ATOM 1366 CG GLU A 91 12.324 0.807 10.392 1.00 1.00 C ATOM 1367 CD GLU A 91 11.694 0.348 11.703 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.485 -0.846 11.849 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.439 1.194 12.545 1.00 1.00 O ATOM 0 H GLU A 91 12.171 -1.314 8.195 1.00 1.00 H new ATOM 0 HA GLU A 91 11.310 1.109 7.135 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.591 1.547 9.334 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.720 -0.200 9.351 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.189 0.187 10.158 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.683 1.831 10.491 1.00 1.00 H new ATOM 1376 N ALA A 92 14.329 1.186 8.354 1.00 1.00 N ATOM 1377 CA ALA A 92 15.543 1.981 8.472 1.00 1.00 C ATOM 1378 C ALA A 92 16.190 2.173 7.111 1.00 1.00 C ATOM 1379 O ALA A 92 16.817 3.200 6.851 1.00 1.00 O ATOM 1380 CB ALA A 92 16.529 1.292 9.416 1.00 1.00 C ATOM 0 H ALA A 92 14.444 0.202 8.596 1.00 1.00 H new ATOM 0 HA ALA A 92 15.277 2.958 8.876 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.434 1.893 9.499 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.074 1.183 10.401 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.782 0.307 9.023 1.00 1.00 H new ATOM 1386 N GLU A 93 16.041 1.178 6.246 1.00 1.00 N ATOM 1387 CA GLU A 93 16.624 1.254 4.917 1.00 1.00 C ATOM 1388 C GLU A 93 15.968 2.371 4.116 1.00 1.00 C ATOM 1389 O GLU A 93 16.655 3.175 3.495 1.00 1.00 O ATOM 1390 CB GLU A 93 16.450 -0.080 4.191 1.00 1.00 C ATOM 1391 CG GLU A 93 17.278 -0.088 2.902 1.00 1.00 C ATOM 1392 CD GLU A 93 17.421 -1.516 2.388 1.00 1.00 C ATOM 1393 OE1 GLU A 93 17.571 -2.407 3.208 1.00 1.00 O ATOM 1394 OE2 GLU A 93 17.368 -1.700 1.183 1.00 1.00 O ATOM 0 H GLU A 93 15.527 0.319 6.439 1.00 1.00 H new ATOM 0 HA GLU A 93 17.688 1.469 5.014 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.763 -0.899 4.839 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.398 -0.242 3.958 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.797 0.534 2.147 1.00 1.00 H new ATOM 0 HG3 GLU A 93 18.262 0.341 3.089 1.00 1.00 H new ATOM 1401 N ILE A 94 14.636 2.419 4.143 1.00 1.00 N ATOM 1402 CA ILE A 94 13.899 3.450 3.413 1.00 1.00 C ATOM 1403 C ILE A 94 14.231 4.831 3.955 1.00 1.00 C ATOM 1404 O ILE A 94 14.492 5.760 3.191 1.00 1.00 O ATOM 1405 CB ILE A 94 12.395 3.208 3.535 1.00 1.00 C ATOM 1406 CG1 ILE A 94 12.055 1.839 2.952 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.631 4.286 2.769 1.00 1.00 C ATOM 1408 CD1 ILE A 94 11.043 1.138 3.860 1.00 1.00 C ATOM 0 H ILE A 94 14.050 1.762 4.658 1.00 1.00 H new ATOM 0 HA ILE A 94 14.192 3.399 2.364 1.00 1.00 H new ATOM 0 HB ILE A 94 12.110 3.244 4.586 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.644 1.951 1.949 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.958 1.235 2.861 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.560 4.107 2.860 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.872 5.266 3.182 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.915 4.256 1.717 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.799 0.160 3.446 1.00 1.00 H new ATOM 0 HD12 ILE A 94 11.471 1.014 4.855 1.00 1.00 H new ATOM 0 HD13 ILE A 94 10.137 1.740 3.928 1.00 1.00 H new ATOM 1420 N VAL A 95 14.231 4.961 5.275 1.00 1.00 N ATOM 1421 CA VAL A 95 14.551 6.235 5.895 1.00 1.00 C ATOM 1422 C VAL A 95 15.911 6.718 5.412 1.00 1.00 C ATOM 1423 O VAL A 95 16.111 7.909 5.171 1.00 1.00 O ATOM 1424 CB VAL A 95 14.561 6.093 7.417 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.407 7.210 8.030 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.129 6.193 7.947 1.00 1.00 C ATOM 0 H VAL A 95 14.015 4.208 5.929 1.00 1.00 H new ATOM 0 HA VAL A 95 13.791 6.964 5.614 1.00 1.00 H new ATOM 0 HB VAL A 95 14.985 5.126 7.687 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.413 7.108 9.115 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.428 7.142 7.653 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.984 8.177 7.759 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.135 6.092 9.032 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.707 7.161 7.675 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.524 5.398 7.512 1.00 1.00 H new ATOM 1436 N SER A 96 16.849 5.784 5.285 1.00 1.00 N ATOM 1437 CA SER A 96 18.196 6.128 4.842 1.00 1.00 C ATOM 1438 C SER A 96 18.157 6.792 3.469 1.00 1.00 C ATOM 1439 O SER A 96 18.796 7.821 3.256 1.00 1.00 O ATOM 1440 CB SER A 96 19.080 4.882 4.796 1.00 1.00 C ATOM 1441 OG SER A 96 18.295 3.735 5.087 1.00 1.00 O ATOM 0 H SER A 96 16.704 4.793 5.480 1.00 1.00 H new ATOM 0 HA SER A 96 18.619 6.832 5.558 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.537 4.783 3.811 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.893 4.972 5.517 1.00 1.00 H new ATOM 0 HG SER A 96 18.047 3.740 6.035 1.00 1.00 H new ATOM 1447 N ILE A 97 17.390 6.218 2.543 1.00 1.00 N ATOM 1448 CA ILE A 97 17.284 6.809 1.214 1.00 1.00 C ATOM 1449 C ILE A 97 16.562 8.146 1.325 1.00 1.00 C ATOM 1450 O ILE A 97 16.970 9.141 0.728 1.00 1.00 O ATOM 1451 CB ILE A 97 16.509 5.896 0.252 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.699 4.425 0.627 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.003 6.118 -1.180 1.00 1.00 C ATOM 1454 CD1 ILE A 97 18.185 4.100 0.794 1.00 1.00 C ATOM 0 H ILE A 97 16.847 5.366 2.684 1.00 1.00 H new ATOM 0 HA ILE A 97 18.290 6.945 0.817 1.00 1.00 H new ATOM 0 HB ILE A 97 15.450 6.143 0.323 1.00 1.00 H new ATOM 0 HG12 ILE A 97 16.167 4.209 1.554 1.00 1.00 H new ATOM 0 HG13 ILE A 97 16.266 3.788 -0.145 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.451 5.469 -1.860 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.844 7.159 -1.463 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.066 5.885 -1.238 1.00 1.00 H new ATOM 0 HD11 ILE A 97 18.300 3.049 1.061 1.00 1.00 H new ATOM 0 HD12 ILE A 97 18.708 4.296 -0.142 1.00 1.00 H new ATOM 0 HD13 ILE A 97 18.607 4.723 1.583 1.00 1.00 H new ATOM 1466 N LEU A 98 15.484 8.153 2.104 1.00 1.00 N ATOM 1467 CA LEU A 98 14.693 9.361 2.306 1.00 1.00 C ATOM 1468 C LEU A 98 15.579 10.500 2.797 1.00 1.00 C ATOM 1469 O LEU A 98 15.431 11.645 2.367 1.00 1.00 O ATOM 1470 CB LEU A 98 13.592 9.083 3.334 1.00 1.00 C ATOM 1471 CG LEU A 98 12.635 10.272 3.407 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.271 9.865 2.848 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.475 10.708 4.866 1.00 1.00 C ATOM 0 H LEU A 98 15.139 7.335 2.606 1.00 1.00 H new ATOM 0 HA LEU A 98 14.243 9.653 1.357 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.045 8.181 3.059 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.035 8.901 4.313 1.00 1.00 H new ATOM 0 HG LEU A 98 13.037 11.098 2.820 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.589 10.713 2.900 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.382 9.552 1.810 1.00 1.00 H new ATOM 0 HD13 LEU A 98 10.869 9.039 3.435 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.793 11.556 4.920 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.073 9.881 5.451 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.446 10.998 5.268 1.00 1.00 H new ATOM 1485 N ASN A 99 16.505 10.179 3.692 1.00 1.00 N ATOM 1486 CA ASN A 99 17.418 11.179 4.228 1.00 1.00 C ATOM 1487 C ASN A 99 18.379 11.651 3.140 1.00 1.00 C ATOM 1488 O ASN A 99 18.793 12.809 3.122 1.00 1.00 O ATOM 1489 CB ASN A 99 18.210 10.590 5.397 1.00 1.00 C ATOM 1490 CG ASN A 99 17.772 11.246 6.702 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.315 12.281 7.090 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.810 10.709 7.401 1.00 1.00 N ATOM 0 H ASN A 99 16.643 9.238 4.060 1.00 1.00 H new ATOM 0 HA ASN A 99 16.837 12.031 4.582 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.051 9.513 5.450 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.277 10.747 5.241 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.506 11.146 8.271 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.362 9.852 7.078 1.00 1.00 H new ATOM 1499 N GLY A 100 18.722 10.740 2.238 1.00 1.00 N ATOM 1500 CA GLY A 100 19.631 11.061 1.143 1.00 1.00 C ATOM 1501 C GLY A 100 18.905 11.814 0.030 1.00 1.00 C ATOM 1502 O GLY A 100 19.478 12.697 -0.608 1.00 1.00 O ATOM 0 H GLY A 100 18.387 9.777 2.242 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.457 11.666 1.517 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.063 10.143 0.744 1.00 1.00 H new ATOM 1506 N ILE A 101 17.644 11.458 -0.196 1.00 1.00 N ATOM 1507 CA ILE A 101 16.852 12.106 -1.237 1.00 1.00 C ATOM 1508 C ILE A 101 16.410 13.496 -0.791 1.00 1.00 C ATOM 1509 O ILE A 101 16.367 14.431 -1.592 1.00 1.00 O ATOM 1510 CB ILE A 101 15.622 11.256 -1.563 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.041 10.077 -2.447 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.590 12.107 -2.306 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.271 8.822 -2.030 1.00 1.00 C ATOM 0 H ILE A 101 17.152 10.731 0.323 1.00 1.00 H new ATOM 0 HA ILE A 101 17.472 12.205 -2.128 1.00 1.00 H new ATOM 0 HB ILE A 101 15.183 10.883 -0.637 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.843 10.306 -3.494 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.113 9.905 -2.356 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.715 11.499 -2.537 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.292 12.948 -1.679 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.026 12.481 -3.232 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.571 7.985 -2.660 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.492 8.589 -0.988 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.201 8.997 -2.144 1.00 1.00 H new ATOM 1525 N ALA A 102 16.084 13.626 0.491 1.00 1.00 N ATOM 1526 CA ALA A 102 15.648 14.908 1.031 1.00 1.00 C ATOM 1527 C ALA A 102 16.796 15.913 1.017 1.00 1.00 C ATOM 1528 O ALA A 102 16.577 17.120 0.914 1.00 1.00 O ATOM 1529 CB ALA A 102 15.143 14.727 2.463 1.00 1.00 C ATOM 0 H ALA A 102 16.113 12.866 1.170 1.00 1.00 H new ATOM 0 HA ALA A 102 14.839 15.288 0.407 1.00 1.00 H new ATOM 0 HB1 ALA A 102 14.819 15.690 2.859 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.304 14.032 2.468 1.00 1.00 H new ATOM 0 HB3 ALA A 102 15.946 14.330 3.085 1.00 1.00 H new ATOM 1535 N LYS A 103 18.019 15.406 1.122 1.00 1.00 N ATOM 1536 CA LYS A 103 19.198 16.265 1.122 1.00 1.00 C ATOM 1537 C LYS A 103 19.527 16.722 -0.296 1.00 1.00 C ATOM 1538 O LYS A 103 19.840 17.889 -0.527 1.00 1.00 O ATOM 1539 CB LYS A 103 20.394 15.513 1.709 1.00 1.00 C ATOM 1540 CG LYS A 103 20.963 16.302 2.891 1.00 1.00 C ATOM 1541 CD LYS A 103 21.466 17.662 2.403 1.00 1.00 C ATOM 1542 CE LYS A 103 22.925 17.849 2.826 1.00 1.00 C ATOM 1543 NZ LYS A 103 23.369 19.230 2.483 1.00 1.00 N ATOM 0 H LYS A 103 18.220 14.410 1.208 1.00 1.00 H new ATOM 0 HA LYS A 103 18.986 17.141 1.734 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.088 14.519 2.035 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.161 15.376 0.947 1.00 1.00 H new ATOM 0 HG2 LYS A 103 20.196 16.438 3.654 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.778 15.746 3.354 1.00 1.00 H new ATOM 0 HD2 LYS A 103 21.380 17.726 1.318 1.00 1.00 H new ATOM 0 HD3 LYS A 103 20.851 18.460 2.819 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.029 17.678 3.897 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.557 17.117 2.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 24.360 19.357 2.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 23.284 19.377 1.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 22.773 19.920 2.982 1.00 1.00 H new ATOM 1557 N GLN A 104 19.456 15.793 -1.244 1.00 1.00 N ATOM 1558 CA GLN A 104 19.751 16.110 -2.636 1.00 1.00 C ATOM 1559 C GLN A 104 18.623 16.934 -3.248 1.00 1.00 C ATOM 1560 O GLN A 104 18.860 17.993 -3.827 1.00 1.00 O ATOM 1561 CB GLN A 104 19.935 14.819 -3.437 1.00 1.00 C ATOM 1562 CG GLN A 104 21.107 14.023 -2.858 1.00 1.00 C ATOM 1563 CD GLN A 104 22.337 14.174 -3.749 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.488 15.184 -4.435 1.00 1.00 O ATOM 1565 NE2 GLN A 104 23.230 13.223 -3.776 1.00 1.00 N ATOM 0 H GLN A 104 19.198 14.821 -1.075 1.00 1.00 H new ATOM 0 HA GLN A 104 20.671 16.693 -2.670 1.00 1.00 H new ATOM 0 HB2 GLN A 104 19.023 14.223 -3.401 1.00 1.00 H new ATOM 0 HB3 GLN A 104 20.122 15.052 -4.485 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.333 14.374 -1.851 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.836 12.971 -2.775 1.00 1.00 H new ATOM 0 HE21 GLN A 104 23.102 12.387 -3.206 1.00 1.00 H new ATOM 0 HE22 GLN A 104 24.056 13.316 -4.367 1.00 1.00 H new