USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 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= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : A 7 CYS SG : rot 180:sc=-0.000158 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 59 SER OG : rot 180:sc= -0.259 USER MOD Single : A 70 GLN : amide:sc= -2.76! C(o=-2.8!,f=-5.9!) USER MOD Single : A 74 THR OG1 : rot -87:sc= -0.903 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+ -149:sc= -0.135 (180deg=-1.15) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 96 SER OG : rot 180:sc= 0 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 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 12.237 3.338 -19.205 1.00 1.00 N ATOM 47 CA GLU A 4 11.193 4.160 -18.603 1.00 1.00 C ATOM 48 C GLU A 4 9.845 3.879 -19.259 1.00 1.00 C ATOM 49 O GLU A 4 8.831 3.731 -18.578 1.00 1.00 O ATOM 50 CB GLU A 4 11.540 5.642 -18.758 1.00 1.00 C ATOM 51 CG GLU A 4 10.386 6.495 -18.225 1.00 1.00 C ATOM 52 CD GLU A 4 10.935 7.675 -17.432 1.00 1.00 C ATOM 53 OE1 GLU A 4 11.536 7.442 -16.396 1.00 1.00 O ATOM 54 OE2 GLU A 4 10.748 8.798 -17.874 1.00 1.00 O ATOM 0 HA GLU A 4 11.127 3.912 -17.544 1.00 1.00 H new ATOM 0 HB2 GLU A 4 12.457 5.871 -18.214 1.00 1.00 H new ATOM 0 HB3 GLU A 4 11.725 5.875 -19.807 1.00 1.00 H new ATOM 0 HG2 GLU A 4 9.776 6.855 -19.053 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.738 5.890 -17.591 1.00 1.00 H new ATOM 61 N LEU A 5 9.843 3.806 -20.586 1.00 1.00 N ATOM 62 CA LEU A 5 8.613 3.542 -21.324 1.00 1.00 C ATOM 63 C LEU A 5 8.140 2.113 -21.082 1.00 1.00 C ATOM 64 O LEU A 5 6.953 1.812 -21.207 1.00 1.00 O ATOM 65 CB LEU A 5 8.847 3.757 -22.821 1.00 1.00 C ATOM 66 CG LEU A 5 8.251 5.101 -23.251 1.00 1.00 C ATOM 67 CD1 LEU A 5 8.808 5.491 -24.621 1.00 1.00 C ATOM 68 CD2 LEU A 5 6.725 4.982 -23.337 1.00 1.00 C ATOM 0 H LEU A 5 10.672 3.925 -21.168 1.00 1.00 H new ATOM 0 HA LEU A 5 7.845 4.231 -20.973 1.00 1.00 H new ATOM 0 HB2 LEU A 5 9.915 3.736 -23.038 1.00 1.00 H new ATOM 0 HB3 LEU A 5 8.390 2.947 -23.390 1.00 1.00 H new ATOM 0 HG LEU A 5 8.515 5.864 -22.519 1.00 1.00 H new ATOM 0 HD11 LEU A 5 8.384 6.447 -24.927 1.00 1.00 H new ATOM 0 HD12 LEU A 5 9.893 5.577 -24.561 1.00 1.00 H new ATOM 0 HD13 LEU A 5 8.544 4.727 -25.352 1.00 1.00 H new ATOM 0 HD21 LEU A 5 6.302 5.939 -23.643 1.00 1.00 H new ATOM 0 HD22 LEU A 5 6.460 4.218 -24.068 1.00 1.00 H new ATOM 0 HD23 LEU A 5 6.326 4.704 -22.361 1.00 1.00 H new ATOM 80 N GLN A 6 9.077 1.235 -20.735 1.00 1.00 N ATOM 81 CA GLN A 6 8.741 -0.161 -20.478 1.00 1.00 C ATOM 82 C GLN A 6 7.851 -0.283 -19.247 1.00 1.00 C ATOM 83 O GLN A 6 6.861 -1.013 -19.254 1.00 1.00 O ATOM 84 CB GLN A 6 10.021 -0.975 -20.267 1.00 1.00 C ATOM 85 CG GLN A 6 9.784 -2.422 -20.700 1.00 1.00 C ATOM 86 CD GLN A 6 9.946 -2.548 -22.210 1.00 1.00 C ATOM 87 OE1 GLN A 6 9.093 -2.087 -22.969 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.998 -3.149 -22.698 1.00 1.00 N ATOM 0 H GLN A 6 10.065 1.463 -20.626 1.00 1.00 H new ATOM 0 HA GLN A 6 8.200 -0.549 -21.341 1.00 1.00 H new ATOM 0 HB2 GLN A 6 10.839 -0.542 -20.843 1.00 1.00 H new ATOM 0 HB3 GLN A 6 10.317 -0.942 -19.218 1.00 1.00 H new ATOM 0 HG2 GLN A 6 10.489 -3.082 -20.194 1.00 1.00 H new ATOM 0 HG3 GLN A 6 8.784 -2.739 -20.406 1.00 1.00 H new ATOM 0 HE21 GLN A 6 11.705 -3.531 -22.069 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.113 -3.236 -23.708 1.00 1.00 H new ATOM 97 N CYS A 7 8.211 0.438 -18.187 1.00 1.00 N ATOM 98 CA CYS A 7 7.434 0.402 -16.953 1.00 1.00 C ATOM 99 C CYS A 7 5.978 0.763 -17.226 1.00 1.00 C ATOM 100 O CYS A 7 5.064 0.050 -16.814 1.00 1.00 O ATOM 101 CB CYS A 7 8.023 1.383 -15.938 1.00 1.00 C ATOM 102 SG CYS A 7 6.717 1.951 -14.821 1.00 1.00 S ATOM 0 H CYS A 7 9.028 1.048 -18.158 1.00 1.00 H new ATOM 0 HA CYS A 7 7.476 -0.609 -16.548 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.818 0.901 -15.370 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.470 2.233 -16.454 1.00 1.00 H new ATOM 0 HG CYS A 7 7.217 2.783 -13.957 1.00 1.00 H new ATOM 107 N ILE A 8 5.770 1.876 -17.922 1.00 1.00 N ATOM 108 CA ILE A 8 4.421 2.324 -18.244 1.00 1.00 C ATOM 109 C ILE A 8 3.747 1.349 -19.204 1.00 1.00 C ATOM 110 O ILE A 8 2.535 1.139 -19.141 1.00 1.00 O ATOM 111 CB ILE A 8 4.469 3.715 -18.878 1.00 1.00 C ATOM 112 CG1 ILE A 8 5.102 4.701 -17.892 1.00 1.00 C ATOM 113 CG2 ILE A 8 3.049 4.172 -19.215 1.00 1.00 C ATOM 114 CD1 ILE A 8 5.506 5.976 -18.634 1.00 1.00 C ATOM 0 H ILE A 8 6.513 2.481 -18.272 1.00 1.00 H new ATOM 0 HA ILE A 8 3.843 2.366 -17.321 1.00 1.00 H new ATOM 0 HB ILE A 8 5.064 3.679 -19.790 1.00 1.00 H new ATOM 0 HG12 ILE A 8 4.397 4.939 -17.096 1.00 1.00 H new ATOM 0 HG13 ILE A 8 5.975 4.250 -17.420 1.00 1.00 H new ATOM 0 HG21 ILE A 8 3.083 5.163 -19.667 1.00 1.00 H new ATOM 0 HG22 ILE A 8 2.597 3.470 -19.915 1.00 1.00 H new ATOM 0 HG23 ILE A 8 2.453 4.209 -18.303 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.957 6.678 -17.932 1.00 1.00 H new ATOM 0 HD12 ILE A 8 6.226 5.730 -19.414 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.623 6.430 -19.085 1.00 1.00 H new ATOM 126 N ARG A 9 4.538 0.756 -20.091 1.00 1.00 N ATOM 127 CA ARG A 9 4.006 -0.197 -21.060 1.00 1.00 C ATOM 128 C ARG A 9 3.341 -1.370 -20.348 1.00 1.00 C ATOM 129 O ARG A 9 2.299 -1.861 -20.782 1.00 1.00 O ATOM 130 CB ARG A 9 5.134 -0.713 -21.955 1.00 1.00 C ATOM 131 CG ARG A 9 4.541 -1.527 -23.107 1.00 1.00 C ATOM 132 CD ARG A 9 5.650 -1.898 -24.093 1.00 1.00 C ATOM 133 NE ARG A 9 5.445 -1.213 -25.364 1.00 1.00 N ATOM 134 CZ ARG A 9 4.423 -1.523 -26.154 1.00 1.00 C ATOM 135 NH1 ARG A 9 3.583 -2.455 -25.798 1.00 1.00 N ATOM 136 NH2 ARG A 9 4.259 -0.895 -27.287 1.00 1.00 N ATOM 0 H ARG A 9 5.543 0.916 -20.160 1.00 1.00 H new ATOM 0 HA ARG A 9 3.260 0.311 -21.671 1.00 1.00 H new ATOM 0 HB2 ARG A 9 5.713 0.123 -22.347 1.00 1.00 H new ATOM 0 HB3 ARG A 9 5.819 -1.331 -21.375 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.065 -2.429 -22.722 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.767 -0.950 -23.614 1.00 1.00 H new ATOM 0 HD2 ARG A 9 6.621 -1.627 -23.678 1.00 1.00 H new ATOM 0 HD3 ARG A 9 5.661 -2.977 -24.251 1.00 1.00 H new ATOM 0 HE ARG A 9 6.097 -0.483 -25.651 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.711 -2.946 -24.913 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.798 -2.693 -26.405 1.00 1.00 H new ATOM 0 HH21 ARG A 9 4.916 -0.166 -27.566 1.00 1.00 H new ATOM 0 HH22 ARG A 9 3.474 -1.133 -27.893 1.00 1.00 H new ATOM 150 N GLU A 10 3.951 -1.815 -19.253 1.00 1.00 N ATOM 151 CA GLU A 10 3.408 -2.932 -18.490 1.00 1.00 C ATOM 152 C GLU A 10 2.045 -2.572 -17.904 1.00 1.00 C ATOM 153 O GLU A 10 1.086 -3.332 -18.030 1.00 1.00 O ATOM 154 CB GLU A 10 4.367 -3.307 -17.359 1.00 1.00 C ATOM 155 CG GLU A 10 5.594 -4.012 -17.942 1.00 1.00 C ATOM 156 CD GLU A 10 6.808 -3.770 -17.051 1.00 1.00 C ATOM 157 OE1 GLU A 10 6.613 -3.403 -15.904 1.00 1.00 O ATOM 158 OE2 GLU A 10 7.916 -3.954 -17.529 1.00 1.00 O ATOM 0 H GLU A 10 4.814 -1.422 -18.877 1.00 1.00 H new ATOM 0 HA GLU A 10 3.288 -3.781 -19.163 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.672 -2.413 -16.815 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.865 -3.959 -16.644 1.00 1.00 H new ATOM 0 HG2 GLU A 10 5.403 -5.082 -18.027 1.00 1.00 H new ATOM 0 HG3 GLU A 10 5.792 -3.643 -18.948 1.00 1.00 H new ATOM 165 N CYS A 11 1.970 -1.408 -17.266 1.00 1.00 N ATOM 166 CA CYS A 11 0.720 -0.958 -16.666 1.00 1.00 C ATOM 167 C CYS A 11 -0.331 -0.704 -17.742 1.00 1.00 C ATOM 168 O CYS A 11 -1.519 -0.950 -17.533 1.00 1.00 O ATOM 169 CB CYS A 11 0.956 0.324 -15.867 1.00 1.00 C ATOM 170 SG CYS A 11 -0.249 0.426 -14.520 1.00 1.00 S ATOM 0 H CYS A 11 2.753 -0.765 -17.152 1.00 1.00 H new ATOM 0 HA CYS A 11 0.357 -1.740 -15.999 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.969 0.333 -15.465 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.864 1.193 -16.518 1.00 1.00 H new ATOM 0 HG CYS A 11 -0.047 1.515 -13.839 1.00 1.00 H new ATOM 175 N ARG A 12 0.114 -0.208 -18.892 1.00 1.00 N ATOM 176 CA ARG A 12 -0.799 0.075 -19.994 1.00 1.00 C ATOM 177 C ARG A 12 -1.506 -1.200 -20.445 1.00 1.00 C ATOM 178 O ARG A 12 -2.683 -1.175 -20.802 1.00 1.00 O ATOM 179 CB ARG A 12 -0.027 0.678 -21.170 1.00 1.00 C ATOM 180 CG ARG A 12 -0.994 1.448 -22.073 1.00 1.00 C ATOM 181 CD ARG A 12 -0.550 1.311 -23.530 1.00 1.00 C ATOM 182 NE ARG A 12 -1.147 2.367 -24.339 1.00 1.00 N ATOM 183 CZ ARG A 12 -0.915 2.447 -25.646 1.00 1.00 C ATOM 184 NH1 ARG A 12 -0.143 1.568 -26.225 1.00 1.00 N ATOM 185 NH2 ARG A 12 -1.460 3.401 -26.349 1.00 1.00 N ATOM 0 H ARG A 12 1.093 0.005 -19.085 1.00 1.00 H new ATOM 0 HA ARG A 12 -1.547 0.788 -19.648 1.00 1.00 H new ATOM 0 HB2 ARG A 12 0.754 1.344 -20.803 1.00 1.00 H new ATOM 0 HB3 ARG A 12 0.467 -0.111 -21.737 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -2.006 1.062 -21.952 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -1.017 2.499 -21.786 1.00 1.00 H new ATOM 0 HD2 ARG A 12 0.537 1.365 -23.593 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -0.844 0.336 -23.917 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.753 3.056 -23.895 1.00 1.00 H new ATOM 0 HH11 ARG A 12 0.281 0.821 -25.675 1.00 1.00 H new ATOM 0 HH12 ARG A 12 0.036 1.628 -27.227 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -2.065 4.086 -25.896 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -1.281 3.462 -27.351 1.00 1.00 H new ATOM 199 N LEU A 13 -0.776 -2.311 -20.426 1.00 1.00 N ATOM 200 CA LEU A 13 -1.344 -3.591 -20.835 1.00 1.00 C ATOM 201 C LEU A 13 -2.441 -4.020 -19.866 1.00 1.00 C ATOM 202 O LEU A 13 -3.532 -4.411 -20.283 1.00 1.00 O ATOM 203 CB LEU A 13 -0.244 -4.658 -20.876 1.00 1.00 C ATOM 204 CG LEU A 13 -0.798 -5.967 -21.456 1.00 1.00 C ATOM 205 CD1 LEU A 13 -1.216 -5.764 -22.916 1.00 1.00 C ATOM 206 CD2 LEU A 13 0.285 -7.046 -21.388 1.00 1.00 C ATOM 0 H LEU A 13 0.201 -2.352 -20.135 1.00 1.00 H new ATOM 0 HA LEU A 13 -1.777 -3.479 -21.829 1.00 1.00 H new ATOM 0 HB2 LEU A 13 0.591 -4.307 -21.483 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.143 -4.831 -19.872 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.668 -6.273 -20.876 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.607 -6.700 -23.316 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -1.987 -4.996 -22.970 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -0.351 -5.452 -23.502 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -0.104 -7.978 -21.799 1.00 1.00 H new ATOM 0 HD22 LEU A 13 1.152 -6.728 -21.967 1.00 1.00 H new ATOM 0 HD23 LEU A 13 0.579 -7.202 -20.350 1.00 1.00 H new ATOM 218 N ALA A 14 -2.146 -3.943 -18.573 1.00 1.00 N ATOM 219 CA ALA A 14 -3.116 -4.326 -17.553 1.00 1.00 C ATOM 220 C ALA A 14 -4.358 -3.445 -17.638 1.00 1.00 C ATOM 221 O ALA A 14 -5.454 -3.864 -17.267 1.00 1.00 O ATOM 222 CB ALA A 14 -2.490 -4.198 -16.164 1.00 1.00 C ATOM 0 H ALA A 14 -1.250 -3.621 -18.208 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.408 -5.362 -17.725 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -3.220 -4.486 -15.408 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.620 -4.851 -16.095 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -2.183 -3.166 -15.997 1.00 1.00 H new ATOM 228 N GLN A 15 -4.178 -2.223 -18.128 1.00 1.00 N ATOM 229 CA GLN A 15 -5.292 -1.291 -18.257 1.00 1.00 C ATOM 230 C GLN A 15 -6.134 -1.628 -19.484 1.00 1.00 C ATOM 231 O GLN A 15 -7.361 -1.689 -19.409 1.00 1.00 O ATOM 232 CB GLN A 15 -4.767 0.141 -18.374 1.00 1.00 C ATOM 233 CG GLN A 15 -4.551 0.723 -16.976 1.00 1.00 C ATOM 234 CD GLN A 15 -3.991 2.137 -17.081 1.00 1.00 C ATOM 235 OE1 GLN A 15 -4.105 2.776 -18.127 1.00 1.00 O ATOM 236 NE2 GLN A 15 -3.385 2.667 -16.052 1.00 1.00 N ATOM 0 H GLN A 15 -3.279 -1.857 -18.440 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.916 -1.376 -17.367 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -3.831 0.152 -18.932 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.476 0.755 -18.929 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -5.494 0.736 -16.429 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -3.864 0.092 -16.412 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -3.291 2.136 -15.186 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -3.005 3.612 -16.115 1.00 1.00 H new ATOM 598 N ALA A 45 6.783 -10.537 -5.906 1.00 1.00 N ATOM 599 CA ALA A 45 8.233 -10.614 -6.047 1.00 1.00 C ATOM 600 C ALA A 45 8.920 -9.437 -5.355 1.00 1.00 C ATOM 601 O ALA A 45 10.093 -9.525 -4.995 1.00 1.00 O ATOM 602 CB ALA A 45 8.608 -10.622 -7.531 1.00 1.00 C ATOM 0 HA ALA A 45 8.571 -11.536 -5.573 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.692 -10.680 -7.632 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.152 -11.485 -8.017 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.248 -9.708 -8.002 1.00 1.00 H new ATOM 608 N ILE A 46 8.186 -8.339 -5.180 1.00 1.00 N ATOM 609 CA ILE A 46 8.741 -7.148 -4.537 1.00 1.00 C ATOM 610 C ILE A 46 8.005 -6.830 -3.238 1.00 1.00 C ATOM 611 O ILE A 46 8.522 -6.114 -2.382 1.00 1.00 O ATOM 612 CB ILE A 46 8.637 -5.951 -5.487 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.187 -5.790 -5.950 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.536 -6.182 -6.704 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.054 -4.511 -6.779 1.00 1.00 C ATOM 0 H ILE A 46 7.213 -8.249 -5.472 1.00 1.00 H new ATOM 0 HA ILE A 46 9.787 -7.346 -4.302 1.00 1.00 H new ATOM 0 HB ILE A 46 8.956 -5.048 -4.966 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.886 -6.653 -6.543 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.521 -5.748 -5.088 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.461 -5.329 -7.379 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.569 -6.296 -6.377 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.219 -7.086 -7.224 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.021 -4.397 -7.109 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.338 -3.652 -6.171 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.708 -4.572 -7.649 1.00 1.00 H new ATOM 627 N ALA A 47 6.796 -7.360 -3.099 1.00 1.00 N ATOM 628 CA ALA A 47 6.002 -7.120 -1.900 1.00 1.00 C ATOM 629 C ALA A 47 6.671 -7.735 -0.675 1.00 1.00 C ATOM 630 O ALA A 47 6.500 -7.253 0.445 1.00 1.00 O ATOM 631 CB ALA A 47 4.603 -7.716 -2.073 1.00 1.00 C ATOM 0 H ALA A 47 6.346 -7.954 -3.796 1.00 1.00 H new ATOM 0 HA ALA A 47 5.924 -6.043 -1.751 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.016 -7.533 -1.173 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.112 -7.250 -2.928 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.683 -8.790 -2.241 1.00 1.00 H new ATOM 637 N ASN A 48 7.433 -8.800 -0.898 1.00 1.00 N ATOM 638 CA ASN A 48 8.126 -9.473 0.195 1.00 1.00 C ATOM 639 C ASN A 48 9.439 -8.770 0.504 1.00 1.00 C ATOM 640 O ASN A 48 10.110 -9.084 1.487 1.00 1.00 O ATOM 641 CB ASN A 48 8.400 -10.930 -0.180 1.00 1.00 C ATOM 642 CG ASN A 48 7.098 -11.633 -0.545 1.00 1.00 C ATOM 643 OD1 ASN A 48 7.064 -12.431 -1.483 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.018 -11.387 0.145 1.00 1.00 N ATOM 0 H ASN A 48 7.586 -9.213 -1.818 1.00 1.00 H new ATOM 0 HA ASN A 48 7.491 -9.440 1.080 1.00 1.00 H new ATOM 0 HB2 ASN A 48 9.093 -10.973 -1.020 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.878 -11.444 0.654 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.144 -11.856 -0.092 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.048 -10.726 0.921 1.00 1.00 H new ATOM 651 N PHE A 49 9.804 -7.822 -0.350 1.00 1.00 N ATOM 652 CA PHE A 49 11.044 -7.081 -0.171 1.00 1.00 C ATOM 653 C PHE A 49 10.839 -5.889 0.760 1.00 1.00 C ATOM 654 O PHE A 49 11.771 -5.131 1.024 1.00 1.00 O ATOM 655 CB PHE A 49 11.557 -6.604 -1.530 1.00 1.00 C ATOM 656 CG PHE A 49 12.771 -7.415 -1.922 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.707 -8.812 -1.911 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.957 -6.770 -2.294 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.829 -9.568 -2.273 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.079 -7.526 -2.655 1.00 1.00 C ATOM 661 CZ PHE A 49 15.015 -8.924 -2.646 1.00 1.00 C ATOM 0 H PHE A 49 9.261 -7.550 -1.170 1.00 1.00 H new ATOM 0 HA PHE A 49 11.781 -7.742 0.284 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.776 -6.710 -2.283 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.813 -5.545 -1.483 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.792 -9.308 -1.623 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.006 -5.691 -2.302 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.779 -10.647 -2.264 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.995 -7.030 -2.941 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.880 -9.506 -2.927 1.00 1.00 H new ATOM 671 N LEU A 50 9.616 -5.741 1.265 1.00 1.00 N ATOM 672 CA LEU A 50 9.293 -4.648 2.180 1.00 1.00 C ATOM 673 C LEU A 50 8.709 -5.209 3.476 1.00 1.00 C ATOM 674 O LEU A 50 7.565 -5.661 3.507 1.00 1.00 O ATOM 675 CB LEU A 50 8.283 -3.693 1.524 1.00 1.00 C ATOM 676 CG LEU A 50 9.000 -2.703 0.592 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.279 -2.651 -0.757 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.978 -1.308 1.221 1.00 1.00 C ATOM 0 H LEU A 50 8.834 -6.362 1.057 1.00 1.00 H new ATOM 0 HA LEU A 50 10.206 -4.097 2.408 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.548 -4.265 0.959 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.738 -3.147 2.294 1.00 1.00 H new ATOM 0 HG LEU A 50 10.030 -3.029 0.445 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.790 -1.948 -1.416 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.284 -3.642 -1.210 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.250 -2.325 -0.607 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.486 -0.604 0.562 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.945 -0.990 1.365 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.487 -1.335 2.184 1.00 1.00 H new ATOM 690 N GLU A 51 9.509 -5.186 4.539 1.00 1.00 N ATOM 691 CA GLU A 51 9.075 -5.706 5.835 1.00 1.00 C ATOM 692 C GLU A 51 7.746 -5.070 6.265 1.00 1.00 C ATOM 693 O GLU A 51 7.432 -3.952 5.855 1.00 1.00 O ATOM 694 CB GLU A 51 10.147 -5.419 6.889 1.00 1.00 C ATOM 695 CG GLU A 51 11.179 -6.551 6.898 1.00 1.00 C ATOM 696 CD GLU A 51 10.568 -7.808 7.508 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.373 -7.822 8.713 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.279 -8.727 6.760 1.00 1.00 O ATOM 0 H GLU A 51 10.459 -4.814 4.530 1.00 1.00 H new ATOM 0 HA GLU A 51 8.927 -6.782 5.742 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.637 -4.469 6.674 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.687 -5.325 7.873 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.515 -6.756 5.882 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.057 -6.249 7.469 1.00 1.00 H new ATOM 705 N PRO A 52 6.964 -5.745 7.087 1.00 1.00 N ATOM 706 CA PRO A 52 5.660 -5.197 7.564 1.00 1.00 C ATOM 707 C PRO A 52 5.811 -3.811 8.189 1.00 1.00 C ATOM 708 O PRO A 52 5.089 -2.878 7.833 1.00 1.00 O ATOM 709 CB PRO A 52 5.166 -6.191 8.619 1.00 1.00 C ATOM 710 CG PRO A 52 6.059 -7.389 8.566 1.00 1.00 C ATOM 711 CD PRO A 52 7.232 -7.086 7.632 1.00 1.00 C ATOM 0 HA PRO A 52 4.966 -5.080 6.732 1.00 1.00 H new ATOM 0 HB2 PRO A 52 5.190 -5.740 9.611 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.132 -6.475 8.423 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.424 -7.633 9.564 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.506 -8.257 8.208 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.179 -7.108 8.171 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.301 -7.827 6.835 1.00 1.00 H new ATOM 719 N GLN A 53 6.747 -3.683 9.126 1.00 1.00 N ATOM 720 CA GLN A 53 6.974 -2.406 9.795 1.00 1.00 C ATOM 721 C GLN A 53 7.373 -1.342 8.781 1.00 1.00 C ATOM 722 O GLN A 53 6.875 -0.217 8.813 1.00 1.00 O ATOM 723 CB GLN A 53 8.075 -2.553 10.846 1.00 1.00 C ATOM 724 CG GLN A 53 7.558 -3.395 12.013 1.00 1.00 C ATOM 725 CD GLN A 53 8.597 -4.443 12.400 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.795 -5.418 11.675 1.00 1.00 O ATOM 727 NE2 GLN A 53 9.275 -4.301 13.506 1.00 1.00 N ATOM 0 H GLN A 53 7.355 -4.441 9.437 1.00 1.00 H new ATOM 0 HA GLN A 53 6.049 -2.101 10.284 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.953 -3.025 10.405 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.386 -1.571 11.202 1.00 1.00 H new ATOM 0 HG2 GLN A 53 7.341 -2.753 12.867 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.624 -3.883 11.735 1.00 1.00 H new ATOM 0 HE21 GLN A 53 9.110 -3.492 14.105 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.970 -4.999 13.771 1.00 1.00 H new ATOM 736 N ALA A 54 8.267 -1.712 7.872 1.00 1.00 N ATOM 737 CA ALA A 54 8.717 -0.787 6.842 1.00 1.00 C ATOM 738 C ALA A 54 7.535 -0.347 5.990 1.00 1.00 C ATOM 739 O ALA A 54 7.522 0.757 5.442 1.00 1.00 O ATOM 740 CB ALA A 54 9.772 -1.456 5.960 1.00 1.00 C ATOM 0 H ALA A 54 8.691 -2.639 7.828 1.00 1.00 H new ATOM 0 HA ALA A 54 9.158 0.087 7.320 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.102 -0.756 5.193 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.624 -1.751 6.572 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.343 -2.338 5.485 1.00 1.00 H new ATOM 746 N LEU A 55 6.541 -1.221 5.885 1.00 1.00 N ATOM 747 CA LEU A 55 5.349 -0.922 5.098 1.00 1.00 C ATOM 748 C LEU A 55 4.653 0.323 5.635 1.00 1.00 C ATOM 749 O LEU A 55 4.201 1.175 4.870 1.00 1.00 O ATOM 750 CB LEU A 55 4.382 -2.109 5.147 1.00 1.00 C ATOM 751 CG LEU A 55 3.655 -2.237 3.808 1.00 1.00 C ATOM 752 CD1 LEU A 55 4.531 -3.011 2.823 1.00 1.00 C ATOM 753 CD2 LEU A 55 2.337 -2.989 4.013 1.00 1.00 C ATOM 0 H LEU A 55 6.535 -2.138 6.332 1.00 1.00 H new ATOM 0 HA LEU A 55 5.652 -0.740 4.067 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.928 -3.027 5.364 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.660 -1.970 5.952 1.00 1.00 H new ATOM 0 HG LEU A 55 3.451 -1.243 3.411 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.012 -3.102 1.869 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.471 -2.479 2.676 1.00 1.00 H new ATOM 0 HD13 LEU A 55 4.735 -4.005 3.221 1.00 1.00 H new ATOM 0 HD21 LEU A 55 1.818 -3.081 3.059 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.543 -3.983 4.411 1.00 1.00 H new ATOM 0 HD23 LEU A 55 1.710 -2.440 4.716 1.00 1.00 H new ATOM 765 N GLU A 56 4.569 0.422 6.958 1.00 1.00 N ATOM 766 CA GLU A 56 3.923 1.567 7.592 1.00 1.00 C ATOM 767 C GLU A 56 4.678 2.856 7.280 1.00 1.00 C ATOM 768 O GLU A 56 4.074 3.917 7.125 1.00 1.00 O ATOM 769 CB GLU A 56 3.872 1.364 9.107 1.00 1.00 C ATOM 770 CG GLU A 56 2.793 0.336 9.453 1.00 1.00 C ATOM 771 CD GLU A 56 2.950 -0.112 10.902 1.00 1.00 C ATOM 772 OE1 GLU A 56 3.816 -0.934 11.156 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.213 0.383 11.738 1.00 1.00 O ATOM 0 H GLU A 56 4.937 -0.272 7.609 1.00 1.00 H new ATOM 0 HA GLU A 56 2.910 1.648 7.198 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.842 1.024 9.471 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.659 2.311 9.604 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.804 0.769 9.302 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.870 -0.523 8.787 1.00 1.00 H new ATOM 780 N ARG A 57 6.003 2.760 7.202 1.00 1.00 N ATOM 781 CA ARG A 57 6.824 3.928 6.922 1.00 1.00 C ATOM 782 C ARG A 57 6.433 4.560 5.590 1.00 1.00 C ATOM 783 O ARG A 57 6.196 5.765 5.512 1.00 1.00 O ATOM 784 CB ARG A 57 8.301 3.519 6.888 1.00 1.00 C ATOM 785 CG ARG A 57 9.190 4.750 6.674 1.00 1.00 C ATOM 786 CD ARG A 57 8.973 5.763 7.801 1.00 1.00 C ATOM 787 NE ARG A 57 8.637 5.082 9.046 1.00 1.00 N ATOM 788 CZ ARG A 57 7.921 5.682 9.992 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.501 6.904 9.816 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.637 5.046 11.096 1.00 1.00 N ATOM 0 H ARG A 57 6.524 1.892 7.328 1.00 1.00 H new ATOM 0 HA ARG A 57 6.664 4.663 7.711 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.570 3.026 7.822 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.467 2.798 6.087 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.237 4.450 6.642 1.00 1.00 H new ATOM 0 HG3 ARG A 57 8.961 5.210 5.713 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.874 6.360 7.939 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.173 6.451 7.529 1.00 1.00 H new ATOM 0 HE ARG A 57 8.958 4.125 9.194 1.00 1.00 H new ATOM 0 HH11 ARG A 57 7.722 7.400 8.952 1.00 1.00 H new ATOM 0 HH12 ARG A 57 6.952 7.364 10.542 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.964 4.090 11.232 1.00 1.00 H new ATOM 0 HH22 ARG A 57 7.088 5.505 11.822 1.00 1.00 H new ATOM 804 N LEU A 58 6.369 3.744 4.543 1.00 1.00 N ATOM 805 CA LEU A 58 6.006 4.249 3.224 1.00 1.00 C ATOM 806 C LEU A 58 4.659 4.955 3.285 1.00 1.00 C ATOM 807 O LEU A 58 4.501 6.080 2.820 1.00 1.00 O ATOM 808 CB LEU A 58 5.926 3.096 2.228 1.00 1.00 C ATOM 809 CG LEU A 58 6.285 3.582 0.818 1.00 1.00 C ATOM 810 CD1 LEU A 58 5.434 4.797 0.433 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.772 3.956 0.744 1.00 1.00 C ATOM 0 H LEU A 58 6.561 2.743 4.580 1.00 1.00 H new ATOM 0 HA LEU A 58 6.769 4.957 2.900 1.00 1.00 H new ATOM 0 HB2 LEU A 58 6.606 2.299 2.529 1.00 1.00 H new ATOM 0 HB3 LEU A 58 4.921 2.675 2.229 1.00 1.00 H new ATOM 0 HG LEU A 58 6.083 2.770 0.119 1.00 1.00 H new ATOM 0 HD11 LEU A 58 5.704 5.127 -0.570 1.00 1.00 H new ATOM 0 HD12 LEU A 58 4.379 4.524 0.454 1.00 1.00 H new ATOM 0 HD13 LEU A 58 5.613 5.606 1.141 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.011 4.299 -0.263 1.00 1.00 H new ATOM 0 HD22 LEU A 58 7.983 4.752 1.458 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.379 3.083 0.984 1.00 1.00 H new ATOM 823 N SER A 59 3.682 4.286 3.856 1.00 1.00 N ATOM 824 CA SER A 59 2.359 4.874 3.967 1.00 1.00 C ATOM 825 C SER A 59 2.431 6.171 4.774 1.00 1.00 C ATOM 826 O SER A 59 1.764 7.154 4.448 1.00 1.00 O ATOM 827 CB SER A 59 1.405 3.895 4.654 1.00 1.00 C ATOM 828 OG SER A 59 2.047 2.634 4.792 1.00 1.00 O ATOM 0 H SER A 59 3.772 3.348 4.246 1.00 1.00 H new ATOM 0 HA SER A 59 1.987 5.093 2.966 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.115 4.278 5.633 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.491 3.789 4.070 1.00 1.00 H new ATOM 0 HG SER A 59 1.440 2.004 5.233 1.00 1.00 H new ATOM 834 N ARG A 60 3.236 6.160 5.835 1.00 1.00 N ATOM 835 CA ARG A 60 3.381 7.333 6.696 1.00 1.00 C ATOM 836 C ARG A 60 4.077 8.500 5.988 1.00 1.00 C ATOM 837 O ARG A 60 3.623 9.641 6.081 1.00 1.00 O ATOM 838 CB ARG A 60 4.186 6.954 7.943 1.00 1.00 C ATOM 839 CG ARG A 60 4.225 8.137 8.915 1.00 1.00 C ATOM 840 CD ARG A 60 4.552 7.631 10.320 1.00 1.00 C ATOM 841 NE ARG A 60 3.323 7.350 11.053 1.00 1.00 N ATOM 842 CZ ARG A 60 3.341 7.102 12.359 1.00 1.00 C ATOM 843 NH1 ARG A 60 4.473 7.111 13.009 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.228 6.849 12.991 1.00 1.00 N ATOM 0 H ARG A 60 3.796 5.356 6.119 1.00 1.00 H new ATOM 0 HA ARG A 60 2.377 7.661 6.966 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.736 6.088 8.428 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.200 6.670 7.660 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.974 8.861 8.594 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.264 8.652 8.917 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.161 6.729 10.257 1.00 1.00 H new ATOM 0 HD3 ARG A 60 5.141 8.376 10.855 1.00 1.00 H new ATOM 0 HE ARG A 60 2.433 7.344 10.554 1.00 1.00 H new ATOM 0 HH11 ARG A 60 5.343 7.308 12.515 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.487 6.921 14.011 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.343 6.841 12.483 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.242 6.659 13.993 1.00 1.00 H new ATOM 858 N VAL A 61 5.189 8.224 5.305 1.00 1.00 N ATOM 859 CA VAL A 61 5.928 9.289 4.625 1.00 1.00 C ATOM 860 C VAL A 61 5.151 9.831 3.426 1.00 1.00 C ATOM 861 O VAL A 61 5.036 11.044 3.250 1.00 1.00 O ATOM 862 CB VAL A 61 7.314 8.797 4.179 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.192 7.926 2.929 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.202 10.000 3.862 1.00 1.00 C ATOM 0 H VAL A 61 5.592 7.292 5.208 1.00 1.00 H new ATOM 0 HA VAL A 61 6.059 10.101 5.340 1.00 1.00 H new ATOM 0 HB VAL A 61 7.753 8.208 4.984 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.182 7.585 2.625 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.562 7.064 3.147 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.745 8.507 2.123 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.186 9.653 3.545 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.749 10.586 3.062 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.305 10.621 4.752 1.00 1.00 H new ATOM 874 N ALA A 62 4.631 8.930 2.601 1.00 1.00 N ATOM 875 CA ALA A 62 3.878 9.337 1.418 1.00 1.00 C ATOM 876 C ALA A 62 2.783 10.340 1.776 1.00 1.00 C ATOM 877 O ALA A 62 2.328 11.102 0.923 1.00 1.00 O ATOM 878 CB ALA A 62 3.249 8.109 0.756 1.00 1.00 C ATOM 0 H ALA A 62 4.715 7.921 2.726 1.00 1.00 H new ATOM 0 HA ALA A 62 4.570 9.817 0.726 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.688 8.418 -0.126 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.034 7.412 0.461 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.576 7.620 1.461 1.00 1.00 H new ATOM 884 N LEU A 63 2.356 10.333 3.035 1.00 1.00 N ATOM 885 CA LEU A 63 1.306 11.245 3.477 1.00 1.00 C ATOM 886 C LEU A 63 1.855 12.654 3.685 1.00 1.00 C ATOM 887 O LEU A 63 1.117 13.635 3.589 1.00 1.00 O ATOM 888 CB LEU A 63 0.696 10.749 4.790 1.00 1.00 C ATOM 889 CG LEU A 63 -0.418 9.739 4.499 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.654 8.871 5.735 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.717 10.480 4.150 1.00 1.00 C ATOM 0 H LEU A 63 2.716 9.713 3.761 1.00 1.00 H new ATOM 0 HA LEU A 63 0.542 11.274 2.701 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.466 10.286 5.407 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.297 11.590 5.356 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.120 9.113 3.658 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.447 8.152 5.529 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.263 8.338 5.986 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.947 9.503 6.573 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.505 9.756 3.944 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.013 11.110 4.989 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.556 11.101 3.269 1.00 1.00 H new ATOM 903 N VAL A 64 3.143 12.747 3.989 1.00 1.00 N ATOM 904 CA VAL A 64 3.765 14.045 4.231 1.00 1.00 C ATOM 905 C VAL A 64 4.536 14.535 3.007 1.00 1.00 C ATOM 906 O VAL A 64 4.329 15.662 2.552 1.00 1.00 O ATOM 907 CB VAL A 64 4.710 13.949 5.429 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.566 15.204 6.288 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.348 12.721 6.268 1.00 1.00 C ATOM 0 H VAL A 64 3.773 11.949 4.074 1.00 1.00 H new ATOM 0 HA VAL A 64 2.972 14.763 4.440 1.00 1.00 H new ATOM 0 HB VAL A 64 5.737 13.860 5.075 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.239 15.139 7.143 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.818 16.082 5.694 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.538 15.288 6.640 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.022 12.652 7.122 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.321 12.812 6.622 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.443 11.823 5.658 1.00 1.00 H new ATOM 919 N ARG A 65 5.426 13.698 2.482 1.00 1.00 N ATOM 920 CA ARG A 65 6.222 14.080 1.315 1.00 1.00 C ATOM 921 C ARG A 65 6.283 12.950 0.292 1.00 1.00 C ATOM 922 O ARG A 65 7.188 12.116 0.326 1.00 1.00 O ATOM 923 CB ARG A 65 7.642 14.447 1.745 1.00 1.00 C ATOM 924 CG ARG A 65 7.640 15.813 2.434 1.00 1.00 C ATOM 925 CD ARG A 65 8.107 16.885 1.449 1.00 1.00 C ATOM 926 NE ARG A 65 7.775 18.213 1.955 1.00 1.00 N ATOM 927 CZ ARG A 65 8.467 18.762 2.948 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.471 18.118 3.478 1.00 1.00 N ATOM 929 NH2 ARG A 65 8.142 19.944 3.395 1.00 1.00 N ATOM 0 H ARG A 65 5.615 12.761 2.839 1.00 1.00 H new ATOM 0 HA ARG A 65 5.741 14.942 0.853 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.034 13.689 2.423 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.300 14.469 0.876 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.639 16.048 2.795 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.296 15.794 3.304 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.183 16.805 1.296 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.635 16.729 0.479 1.00 1.00 H new ATOM 0 HE ARG A 65 6.999 18.728 1.540 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.725 17.193 3.130 1.00 1.00 H new ATOM 0 HH12 ARG A 65 10.002 18.539 4.240 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.357 20.447 2.982 1.00 1.00 H new ATOM 0 HH22 ARG A 65 8.673 20.365 4.157 1.00 1.00 H new ATOM 943 N ARG A 66 5.318 12.934 -0.622 1.00 1.00 N ATOM 944 CA ARG A 66 5.273 11.910 -1.659 1.00 1.00 C ATOM 945 C ARG A 66 6.526 11.958 -2.529 1.00 1.00 C ATOM 946 O ARG A 66 6.989 10.930 -3.022 1.00 1.00 O ATOM 947 CB ARG A 66 4.035 12.117 -2.533 1.00 1.00 C ATOM 948 CG ARG A 66 3.795 10.872 -3.388 1.00 1.00 C ATOM 949 CD ARG A 66 2.500 11.046 -4.182 1.00 1.00 C ATOM 950 NE ARG A 66 2.218 9.849 -4.967 1.00 1.00 N ATOM 951 CZ ARG A 66 1.211 9.822 -5.833 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.459 10.876 -5.994 1.00 1.00 N ATOM 953 NH2 ARG A 66 0.972 8.740 -6.524 1.00 1.00 N ATOM 0 H ARG A 66 4.560 13.615 -0.666 1.00 1.00 H new ATOM 0 HA ARG A 66 5.225 10.934 -1.176 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.165 12.314 -1.907 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.171 12.989 -3.173 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.633 10.716 -4.067 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.730 9.988 -2.754 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.673 11.245 -3.501 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.584 11.909 -4.842 1.00 1.00 H new ATOM 0 HE ARG A 66 2.802 9.021 -4.849 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.644 11.722 -5.455 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.314 10.854 -6.659 1.00 1.00 H new ATOM 0 HH21 ARG A 66 1.559 7.915 -6.399 1.00 1.00 H new ATOM 0 HH22 ARG A 66 0.199 8.720 -7.189 1.00 1.00 H new ATOM 967 N ASP A 67 7.065 13.159 -2.722 1.00 1.00 N ATOM 968 CA ASP A 67 8.257 13.329 -3.548 1.00 1.00 C ATOM 969 C ASP A 67 9.392 12.439 -3.055 1.00 1.00 C ATOM 970 O ASP A 67 10.050 11.763 -3.840 1.00 1.00 O ATOM 971 CB ASP A 67 8.699 14.793 -3.519 1.00 1.00 C ATOM 972 CG ASP A 67 7.857 15.609 -4.493 1.00 1.00 C ATOM 973 OD1 ASP A 67 6.671 15.336 -4.590 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.407 16.493 -5.128 1.00 1.00 O ATOM 0 H ASP A 67 6.699 14.023 -2.321 1.00 1.00 H new ATOM 0 HA ASP A 67 8.012 13.040 -4.570 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.595 15.193 -2.511 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.753 14.869 -3.784 1.00 1.00 H new ATOM 979 N ARG A 68 9.614 12.438 -1.751 1.00 1.00 N ATOM 980 CA ARG A 68 10.664 11.619 -1.165 1.00 1.00 C ATOM 981 C ARG A 68 10.268 10.145 -1.215 1.00 1.00 C ATOM 982 O ARG A 68 11.108 9.267 -1.403 1.00 1.00 O ATOM 983 CB ARG A 68 10.905 12.046 0.283 1.00 1.00 C ATOM 984 CG ARG A 68 11.871 13.235 0.317 1.00 1.00 C ATOM 985 CD ARG A 68 11.307 14.385 -0.522 1.00 1.00 C ATOM 986 NE ARG A 68 11.576 14.162 -1.938 1.00 1.00 N ATOM 987 CZ ARG A 68 12.745 14.490 -2.477 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.677 15.028 -1.739 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.962 14.275 -3.746 1.00 1.00 N ATOM 0 H ARG A 68 9.084 12.993 -1.079 1.00 1.00 H new ATOM 0 HA ARG A 68 11.582 11.756 -1.736 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.961 12.319 0.754 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.317 11.214 0.854 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.022 13.563 1.345 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.845 12.935 -0.069 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.233 14.470 -0.359 1.00 1.00 H new ATOM 0 HD3 ARG A 68 11.753 15.328 -0.205 1.00 1.00 H new ATOM 0 HE ARG A 68 10.853 13.746 -2.525 1.00 1.00 H new ATOM 0 HH11 ARG A 68 13.508 15.197 -0.747 1.00 1.00 H new ATOM 0 HH12 ARG A 68 14.574 15.279 -2.154 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.234 13.855 -4.324 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.860 14.527 -4.160 1.00 1.00 H new ATOM 1003 N ALA A 69 8.975 9.896 -1.035 1.00 1.00 N ATOM 1004 CA ALA A 69 8.432 8.537 -1.044 1.00 1.00 C ATOM 1005 C ALA A 69 8.548 7.879 -2.423 1.00 1.00 C ATOM 1006 O ALA A 69 8.677 6.655 -2.529 1.00 1.00 O ATOM 1007 CB ALA A 69 6.956 8.586 -0.659 1.00 1.00 C ATOM 0 H ALA A 69 8.276 10.623 -0.880 1.00 1.00 H new ATOM 0 HA ALA A 69 9.010 7.947 -0.332 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.545 7.576 -0.664 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.854 9.015 0.338 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.413 9.202 -1.376 1.00 1.00 H new ATOM 1013 N GLN A 70 8.482 8.687 -3.474 1.00 1.00 N ATOM 1014 CA GLN A 70 8.554 8.149 -4.828 1.00 1.00 C ATOM 1015 C GLN A 70 9.980 7.733 -5.179 1.00 1.00 C ATOM 1016 O GLN A 70 10.191 6.769 -5.911 1.00 1.00 O ATOM 1017 CB GLN A 70 8.004 9.170 -5.836 1.00 1.00 C ATOM 1018 CG GLN A 70 9.114 10.076 -6.368 1.00 1.00 C ATOM 1019 CD GLN A 70 9.843 9.399 -7.527 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.503 8.279 -7.907 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.824 10.022 -8.118 1.00 1.00 N ATOM 0 H GLN A 70 8.380 9.700 -3.419 1.00 1.00 H new ATOM 0 HA GLN A 70 7.934 7.254 -4.878 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.530 8.646 -6.666 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.233 9.776 -5.360 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.691 11.024 -6.700 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.820 10.304 -5.570 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.103 10.950 -7.801 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.312 9.581 -8.898 1.00 1.00 H new ATOM 1030 N ALA A 71 10.952 8.475 -4.664 1.00 1.00 N ATOM 1031 CA ALA A 71 12.354 8.187 -4.937 1.00 1.00 C ATOM 1032 C ALA A 71 12.804 6.891 -4.255 1.00 1.00 C ATOM 1033 O ALA A 71 13.523 6.086 -4.848 1.00 1.00 O ATOM 1034 CB ALA A 71 13.211 9.352 -4.452 1.00 1.00 C ATOM 0 H ALA A 71 10.796 9.279 -4.056 1.00 1.00 H new ATOM 0 HA ALA A 71 12.475 8.056 -6.012 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.261 9.140 -4.654 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.917 10.262 -4.975 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.068 9.487 -3.380 1.00 1.00 H new ATOM 1040 N VAL A 72 12.387 6.700 -3.004 1.00 1.00 N ATOM 1041 CA VAL A 72 12.764 5.505 -2.247 1.00 1.00 C ATOM 1042 C VAL A 72 12.259 4.231 -2.926 1.00 1.00 C ATOM 1043 O VAL A 72 13.018 3.277 -3.113 1.00 1.00 O ATOM 1044 CB VAL A 72 12.208 5.579 -0.815 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.013 6.582 0.007 1.00 1.00 C ATOM 1046 CG2 VAL A 72 10.753 6.024 -0.843 1.00 1.00 C ATOM 0 H VAL A 72 11.791 7.353 -2.495 1.00 1.00 H new ATOM 0 HA VAL A 72 13.853 5.469 -2.213 1.00 1.00 H new ATOM 0 HB VAL A 72 12.282 4.589 -0.364 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.612 6.628 1.020 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.056 6.268 0.044 1.00 1.00 H new ATOM 0 HG13 VAL A 72 12.946 7.567 -0.454 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.368 6.073 0.176 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.682 7.008 -1.306 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.165 5.309 -1.419 1.00 1.00 H new ATOM 1056 N GLU A 73 10.984 4.209 -3.300 1.00 1.00 N ATOM 1057 CA GLU A 73 10.429 3.026 -3.957 1.00 1.00 C ATOM 1058 C GLU A 73 11.175 2.744 -5.259 1.00 1.00 C ATOM 1059 O GLU A 73 11.352 1.589 -5.640 1.00 1.00 O ATOM 1060 CB GLU A 73 8.942 3.224 -4.250 1.00 1.00 C ATOM 1061 CG GLU A 73 8.746 4.531 -5.011 1.00 1.00 C ATOM 1062 CD GLU A 73 7.267 4.744 -5.312 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.494 4.823 -4.371 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.926 4.818 -6.481 1.00 1.00 O ATOM 0 H GLU A 73 10.326 4.977 -3.165 1.00 1.00 H new ATOM 0 HA GLU A 73 10.547 2.176 -3.285 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.561 2.388 -4.837 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.376 3.244 -3.319 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.129 5.365 -4.423 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.315 4.509 -5.940 1.00 1.00 H new ATOM 1071 N THR A 74 11.607 3.810 -5.933 1.00 1.00 N ATOM 1072 CA THR A 74 12.330 3.661 -7.196 1.00 1.00 C ATOM 1073 C THR A 74 13.710 3.064 -6.955 1.00 1.00 C ATOM 1074 O THR A 74 14.198 2.259 -7.749 1.00 1.00 O ATOM 1075 CB THR A 74 12.479 5.013 -7.891 1.00 1.00 C ATOM 1076 OG1 THR A 74 12.140 6.043 -6.983 1.00 1.00 O ATOM 1077 CG2 THR A 74 11.550 5.071 -9.104 1.00 1.00 C ATOM 0 H THR A 74 11.471 4.775 -5.631 1.00 1.00 H new ATOM 0 HA THR A 74 11.755 2.990 -7.835 1.00 1.00 H new ATOM 0 HB THR A 74 13.509 5.143 -8.222 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.175 6.208 -7.021 1.00 1.00 H new ATOM 0 HG21 THR A 74 11.657 6.036 -9.599 1.00 1.00 H new ATOM 0 HG22 THR A 74 11.812 4.275 -9.801 1.00 1.00 H new ATOM 0 HG23 THR A 74 10.518 4.943 -8.778 1.00 1.00 H new ATOM 1085 N TYR A 75 14.334 3.465 -5.855 1.00 1.00 N ATOM 1086 CA TYR A 75 15.660 2.967 -5.516 1.00 1.00 C ATOM 1087 C TYR A 75 15.657 1.444 -5.420 1.00 1.00 C ATOM 1088 O TYR A 75 16.604 0.783 -5.849 1.00 1.00 O ATOM 1089 CB TYR A 75 16.108 3.570 -4.182 1.00 1.00 C ATOM 1090 CG TYR A 75 17.354 2.868 -3.706 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.253 1.659 -3.007 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.612 3.425 -3.963 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.411 1.007 -2.566 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.770 2.773 -3.522 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.669 1.564 -2.824 1.00 1.00 C ATOM 1096 OH TYR A 75 20.811 0.922 -2.389 1.00 1.00 O ATOM 0 H TYR A 75 13.946 4.130 -5.186 1.00 1.00 H new ATOM 0 HA TYR A 75 16.355 3.261 -6.303 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.301 4.636 -4.299 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.315 3.469 -3.441 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.282 1.230 -2.808 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.690 4.358 -4.502 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.334 0.074 -2.027 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.741 3.203 -3.720 1.00 1.00 H new ATOM 0 HH TYR A 75 21.599 1.442 -2.652 1.00 1.00 H new ATOM 1106 N LEU A 76 14.591 0.893 -4.846 1.00 1.00 N ATOM 1107 CA LEU A 76 14.479 -0.555 -4.687 1.00 1.00 C ATOM 1108 C LEU A 76 14.419 -1.275 -6.038 1.00 1.00 C ATOM 1109 O LEU A 76 15.102 -2.279 -6.236 1.00 1.00 O ATOM 1110 CB LEU A 76 13.226 -0.891 -3.873 1.00 1.00 C ATOM 1111 CG LEU A 76 13.216 -2.383 -3.506 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.377 -2.712 -2.560 1.00 1.00 C ATOM 1113 CD2 LEU A 76 11.894 -2.726 -2.819 1.00 1.00 C ATOM 0 H LEU A 76 13.797 1.422 -4.485 1.00 1.00 H new ATOM 0 HA LEU A 76 15.370 -0.900 -4.163 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.199 -0.286 -2.967 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.333 -0.644 -4.448 1.00 1.00 H new ATOM 0 HG LEU A 76 13.327 -2.969 -4.418 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.354 -3.773 -2.311 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.322 -2.474 -3.048 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.281 -2.123 -1.648 1.00 1.00 H new ATOM 0 HD21 LEU A 76 11.884 -3.784 -2.557 1.00 1.00 H new ATOM 0 HD22 LEU A 76 11.788 -2.127 -1.914 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.066 -2.511 -3.495 1.00 1.00 H new ATOM 1125 N LYS A 77 13.603 -0.771 -6.963 1.00 1.00 N ATOM 1126 CA LYS A 77 13.486 -1.409 -8.276 1.00 1.00 C ATOM 1127 C LYS A 77 14.845 -1.474 -8.951 1.00 1.00 C ATOM 1128 O LYS A 77 15.147 -2.424 -9.671 1.00 1.00 O ATOM 1129 CB LYS A 77 12.516 -0.638 -9.170 1.00 1.00 C ATOM 1130 CG LYS A 77 11.339 -0.149 -8.334 1.00 1.00 C ATOM 1131 CD LYS A 77 10.192 0.270 -9.257 1.00 1.00 C ATOM 1132 CE LYS A 77 10.718 1.228 -10.328 1.00 1.00 C ATOM 1133 NZ LYS A 77 9.583 2.005 -10.899 1.00 1.00 N ATOM 0 H LYS A 77 13.024 0.059 -6.834 1.00 1.00 H new ATOM 0 HA LYS A 77 13.104 -2.419 -8.126 1.00 1.00 H new ATOM 0 HB2 LYS A 77 13.024 0.208 -9.633 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.162 -1.278 -9.978 1.00 1.00 H new ATOM 0 HG2 LYS A 77 11.007 -0.938 -7.659 1.00 1.00 H new ATOM 0 HG3 LYS A 77 11.646 0.693 -7.713 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.750 -0.609 -9.726 1.00 1.00 H new ATOM 0 HD3 LYS A 77 9.404 0.752 -8.679 1.00 1.00 H new ATOM 0 HE2 LYS A 77 11.455 1.905 -9.896 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.222 0.668 -11.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 9.940 2.656 -11.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 8.895 1.352 -11.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.120 2.550 -10.144 1.00 1.00 H new ATOM 1147 N LYS A 78 15.664 -0.461 -8.710 1.00 1.00 N ATOM 1148 CA LYS A 78 16.995 -0.423 -9.297 1.00 1.00 C ATOM 1149 C LYS A 78 17.820 -1.592 -8.770 1.00 1.00 C ATOM 1150 O LYS A 78 18.518 -2.266 -9.528 1.00 1.00 O ATOM 1151 CB LYS A 78 17.684 0.897 -8.946 1.00 1.00 C ATOM 1152 CG LYS A 78 19.019 0.991 -9.690 1.00 1.00 C ATOM 1153 CD LYS A 78 18.994 2.194 -10.635 1.00 1.00 C ATOM 1154 CE LYS A 78 18.884 3.484 -9.819 1.00 1.00 C ATOM 1155 NZ LYS A 78 20.060 4.354 -10.106 1.00 1.00 N ATOM 0 H LYS A 78 15.434 0.338 -8.119 1.00 1.00 H new ATOM 0 HA LYS A 78 16.910 -0.501 -10.381 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.044 1.737 -9.218 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.850 0.958 -7.870 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.838 1.092 -8.978 1.00 1.00 H new ATOM 0 HG3 LYS A 78 19.198 0.076 -10.254 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.899 2.212 -11.242 1.00 1.00 H new ATOM 0 HD3 LYS A 78 18.151 2.113 -11.322 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.961 4.007 -10.069 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.841 3.252 -8.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.986 5.231 -9.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 20.934 3.853 -9.847 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 20.081 4.586 -11.120 1.00 1.00 H new ATOM 1169 N LEU A 79 17.716 -1.831 -7.467 1.00 1.00 N ATOM 1170 CA LEU A 79 18.439 -2.929 -6.835 1.00 1.00 C ATOM 1171 C LEU A 79 17.874 -4.276 -7.288 1.00 1.00 C ATOM 1172 O LEU A 79 18.618 -5.184 -7.655 1.00 1.00 O ATOM 1173 CB LEU A 79 18.324 -2.808 -5.314 1.00 1.00 C ATOM 1174 CG LEU A 79 19.674 -2.377 -4.733 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.084 -1.036 -5.339 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.557 -2.236 -3.213 1.00 1.00 C ATOM 0 H LEU A 79 17.140 -1.281 -6.830 1.00 1.00 H new ATOM 0 HA LEU A 79 19.487 -2.874 -7.130 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.555 -2.081 -5.053 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.019 -3.762 -4.884 1.00 1.00 H new ATOM 0 HG LEU A 79 20.427 -3.129 -4.970 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.045 -0.729 -4.926 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.170 -1.137 -6.421 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.331 -0.285 -5.103 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.518 -1.929 -2.801 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.804 -1.485 -2.974 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.265 -3.193 -2.780 1.00 1.00 H new ATOM 1188 N ILE A 80 16.551 -4.398 -7.257 1.00 1.00 N ATOM 1189 CA ILE A 80 15.900 -5.641 -7.663 1.00 1.00 C ATOM 1190 C ILE A 80 16.048 -5.878 -9.164 1.00 1.00 C ATOM 1191 O ILE A 80 16.233 -7.010 -9.607 1.00 1.00 O ATOM 1192 CB ILE A 80 14.414 -5.598 -7.298 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.264 -5.688 -5.775 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.696 -6.779 -7.958 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.809 -5.422 -5.376 1.00 1.00 C ATOM 0 H ILE A 80 15.913 -3.660 -6.958 1.00 1.00 H new ATOM 0 HA ILE A 80 16.385 -6.461 -7.134 1.00 1.00 H new ATOM 0 HB ILE A 80 13.974 -4.665 -7.651 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.570 -6.675 -5.429 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.920 -4.963 -5.293 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.637 -6.751 -7.700 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.808 -6.714 -9.040 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.131 -7.713 -7.604 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.711 -5.488 -4.292 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.517 -4.425 -5.707 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.162 -6.163 -5.845 1.00 1.00 H new ATOM 1207 N ALA A 81 15.959 -4.803 -9.938 1.00 1.00 N ATOM 1208 CA ALA A 81 16.075 -4.906 -11.389 1.00 1.00 C ATOM 1209 C ALA A 81 17.521 -5.158 -11.806 1.00 1.00 C ATOM 1210 O ALA A 81 17.783 -5.638 -12.909 1.00 1.00 O ATOM 1211 CB ALA A 81 15.573 -3.618 -12.044 1.00 1.00 C ATOM 0 H ALA A 81 15.808 -3.856 -9.589 1.00 1.00 H new ATOM 0 HA ALA A 81 15.467 -5.748 -11.719 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.662 -3.702 -13.127 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.528 -3.458 -11.778 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.170 -2.776 -11.695 1.00 1.00 H new ATOM 1306 N LYS A 88 15.879 -7.513 1.812 1.00 1.00 N ATOM 1307 CA LYS A 88 14.516 -7.015 1.958 1.00 1.00 C ATOM 1308 C LYS A 88 14.516 -5.649 2.634 1.00 1.00 C ATOM 1309 O LYS A 88 14.920 -5.521 3.791 1.00 1.00 O ATOM 1310 CB LYS A 88 13.685 -7.995 2.793 1.00 1.00 C ATOM 1311 CG LYS A 88 14.320 -9.388 2.751 1.00 1.00 C ATOM 1312 CD LYS A 88 14.477 -9.840 1.297 1.00 1.00 C ATOM 1313 CE LYS A 88 14.028 -11.294 1.164 1.00 1.00 C ATOM 1314 NZ LYS A 88 14.660 -12.109 2.240 1.00 1.00 N ATOM 0 HA LYS A 88 14.077 -6.920 0.965 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.623 -7.646 3.824 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.666 -8.039 2.409 1.00 1.00 H new ATOM 0 HG2 LYS A 88 15.292 -9.370 3.243 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.699 -10.098 3.298 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.883 -9.203 0.641 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.516 -9.739 0.984 1.00 1.00 H new ATOM 0 HE2 LYS A 88 12.942 -11.358 1.234 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.308 -11.684 0.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.813 -13.079 1.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 15.573 -11.687 2.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.035 -12.131 3.071 1.00 1.00 H new ATOM 1328 N ILE A 89 14.064 -4.633 1.910 1.00 1.00 N ATOM 1329 CA ILE A 89 14.021 -3.283 2.459 1.00 1.00 C ATOM 1330 C ILE A 89 13.439 -3.306 3.869 1.00 1.00 C ATOM 1331 O ILE A 89 12.592 -4.138 4.193 1.00 1.00 O ATOM 1332 CB ILE A 89 13.190 -2.361 1.543 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.141 -1.423 0.791 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.189 -1.520 2.361 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.356 -0.584 -0.220 1.00 1.00 C ATOM 0 H ILE A 89 13.725 -4.715 0.951 1.00 1.00 H new ATOM 0 HA ILE A 89 15.037 -2.891 2.512 1.00 1.00 H new ATOM 0 HB ILE A 89 12.627 -2.979 0.843 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.655 -0.770 1.497 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.907 -2.004 0.277 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.617 -0.880 1.689 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.509 -2.183 2.897 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.732 -0.902 3.076 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.039 0.080 -0.750 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.863 -1.243 -0.935 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.607 0.009 0.304 1.00 1.00 H new ATOM 1347 N THR A 90 13.892 -2.372 4.695 1.00 1.00 N ATOM 1348 CA THR A 90 13.411 -2.263 6.064 1.00 1.00 C ATOM 1349 C THR A 90 13.028 -0.815 6.360 1.00 1.00 C ATOM 1350 O THR A 90 13.311 0.083 5.566 1.00 1.00 O ATOM 1351 CB THR A 90 14.497 -2.718 7.041 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.627 -1.867 6.923 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.903 -4.158 6.719 1.00 1.00 C ATOM 0 H THR A 90 14.594 -1.678 4.439 1.00 1.00 H new ATOM 0 HA THR A 90 12.536 -2.902 6.184 1.00 1.00 H new ATOM 0 HB THR A 90 14.113 -2.670 8.060 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.322 -2.157 7.550 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.677 -4.482 7.415 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.035 -4.810 6.812 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.287 -4.209 5.700 1.00 1.00 H new ATOM 1361 N GLU A 91 12.390 -0.593 7.500 1.00 1.00 N ATOM 1362 CA GLU A 91 11.980 0.753 7.880 1.00 1.00 C ATOM 1363 C GLU A 91 13.177 1.698 7.858 1.00 1.00 C ATOM 1364 O GLU A 91 13.033 2.895 7.607 1.00 1.00 O ATOM 1365 CB GLU A 91 11.363 0.741 9.279 1.00 1.00 C ATOM 1366 CG GLU A 91 12.417 0.307 10.301 1.00 1.00 C ATOM 1367 CD GLU A 91 11.737 -0.167 11.580 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.207 -1.266 11.574 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.758 0.575 12.548 1.00 1.00 O ATOM 0 H GLU A 91 12.146 -1.319 8.173 1.00 1.00 H new ATOM 0 HA GLU A 91 11.237 1.102 7.163 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.985 1.732 9.529 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.513 0.060 9.307 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.030 -0.494 9.887 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.086 1.139 10.522 1.00 1.00 H new ATOM 1376 N ALA A 92 14.355 1.149 8.125 1.00 1.00 N ATOM 1377 CA ALA A 92 15.576 1.947 8.140 1.00 1.00 C ATOM 1378 C ALA A 92 16.069 2.217 6.721 1.00 1.00 C ATOM 1379 O ALA A 92 16.614 3.284 6.439 1.00 1.00 O ATOM 1380 CB ALA A 92 16.666 1.217 8.928 1.00 1.00 C ATOM 0 H ALA A 92 14.492 0.160 8.333 1.00 1.00 H new ATOM 0 HA ALA A 92 15.353 2.901 8.618 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.575 1.819 8.935 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.329 1.057 9.952 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.872 0.255 8.459 1.00 1.00 H new ATOM 1386 N GLU A 93 15.877 1.249 5.832 1.00 1.00 N ATOM 1387 CA GLU A 93 16.314 1.402 4.447 1.00 1.00 C ATOM 1388 C GLU A 93 15.532 2.515 3.757 1.00 1.00 C ATOM 1389 O GLU A 93 16.114 3.371 3.090 1.00 1.00 O ATOM 1390 CB GLU A 93 16.113 0.095 3.683 1.00 1.00 C ATOM 1391 CG GLU A 93 16.968 -1.004 4.316 1.00 1.00 C ATOM 1392 CD GLU A 93 18.345 -1.030 3.662 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.404 -1.230 2.459 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.319 -0.840 4.370 1.00 1.00 O ATOM 0 H GLU A 93 15.426 0.358 6.041 1.00 1.00 H new ATOM 0 HA GLU A 93 17.373 1.661 4.452 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.061 -0.191 3.702 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.388 0.227 2.637 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.068 -0.828 5.387 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.480 -1.971 4.196 1.00 1.00 H new ATOM 1401 N ILE A 94 14.214 2.500 3.923 1.00 1.00 N ATOM 1402 CA ILE A 94 13.373 3.519 3.308 1.00 1.00 C ATOM 1403 C ILE A 94 13.721 4.890 3.870 1.00 1.00 C ATOM 1404 O ILE A 94 13.881 5.856 3.124 1.00 1.00 O ATOM 1405 CB ILE A 94 11.898 3.218 3.576 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.422 2.112 2.631 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.068 4.482 3.339 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.052 1.603 3.088 1.00 1.00 C ATOM 0 H ILE A 94 13.710 1.803 4.471 1.00 1.00 H new ATOM 0 HA ILE A 94 13.550 3.514 2.232 1.00 1.00 H new ATOM 0 HB ILE A 94 11.777 2.891 4.609 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.359 2.493 1.612 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.141 1.293 2.621 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.016 4.268 3.530 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.406 5.270 4.012 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.190 4.809 2.306 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.713 0.815 2.415 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.130 1.206 4.100 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.336 2.424 3.075 1.00 1.00 H new ATOM 1420 N VAL A 95 13.854 4.961 5.189 1.00 1.00 N ATOM 1421 CA VAL A 95 14.203 6.210 5.849 1.00 1.00 C ATOM 1422 C VAL A 95 15.633 6.611 5.502 1.00 1.00 C ATOM 1423 O VAL A 95 15.928 7.787 5.291 1.00 1.00 O ATOM 1424 CB VAL A 95 14.067 6.055 7.366 1.00 1.00 C ATOM 1425 CG1 VAL A 95 14.952 7.081 8.076 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.608 6.282 7.767 1.00 1.00 C ATOM 0 H VAL A 95 13.726 4.170 5.820 1.00 1.00 H new ATOM 0 HA VAL A 95 13.523 6.988 5.503 1.00 1.00 H new ATOM 0 HB VAL A 95 14.379 5.051 7.655 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.850 6.965 9.155 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.992 6.924 7.791 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.645 8.087 7.789 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.506 6.173 8.847 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.302 7.286 7.474 1.00 1.00 H new ATOM 0 HG23 VAL A 95 11.975 5.549 7.267 1.00 1.00 H new ATOM 1436 N SER A 96 16.519 5.620 5.468 1.00 1.00 N ATOM 1437 CA SER A 96 17.928 5.873 5.170 1.00 1.00 C ATOM 1438 C SER A 96 18.095 6.443 3.769 1.00 1.00 C ATOM 1439 O SER A 96 18.812 7.423 3.572 1.00 1.00 O ATOM 1440 CB SER A 96 18.728 4.577 5.294 1.00 1.00 C ATOM 1441 OG SER A 96 20.057 4.801 4.841 1.00 1.00 O ATOM 0 H SER A 96 16.291 4.641 5.641 1.00 1.00 H new ATOM 0 HA SER A 96 18.301 6.603 5.888 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.737 4.239 6.330 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.259 3.789 4.706 1.00 1.00 H new ATOM 0 HG SER A 96 20.574 3.972 4.920 1.00 1.00 H new ATOM 1447 N ILE A 97 17.420 5.838 2.800 1.00 1.00 N ATOM 1448 CA ILE A 97 17.501 6.321 1.431 1.00 1.00 C ATOM 1449 C ILE A 97 16.797 7.669 1.337 1.00 1.00 C ATOM 1450 O ILE A 97 17.283 8.596 0.689 1.00 1.00 O ATOM 1451 CB ILE A 97 16.855 5.312 0.477 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.588 3.973 0.580 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.944 5.826 -0.961 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.657 2.845 0.133 1.00 1.00 C ATOM 0 H ILE A 97 16.820 5.024 2.934 1.00 1.00 H new ATOM 0 HA ILE A 97 18.546 6.439 1.145 1.00 1.00 H new ATOM 0 HB ILE A 97 15.808 5.181 0.750 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.483 3.988 -0.042 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.915 3.804 1.606 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.483 5.104 -1.635 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.422 6.780 -1.039 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.990 5.961 -1.235 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.180 1.891 0.206 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.775 2.826 0.773 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.352 3.013 -0.900 1.00 1.00 H new ATOM 1466 N LEU A 98 15.657 7.769 2.015 1.00 1.00 N ATOM 1467 CA LEU A 98 14.888 9.005 2.035 1.00 1.00 C ATOM 1468 C LEU A 98 15.769 10.156 2.505 1.00 1.00 C ATOM 1469 O LEU A 98 15.817 11.215 1.882 1.00 1.00 O ATOM 1470 CB LEU A 98 13.706 8.849 2.995 1.00 1.00 C ATOM 1471 CG LEU A 98 12.912 10.156 3.068 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.413 9.848 3.051 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.253 10.894 4.368 1.00 1.00 C ATOM 0 H LEU A 98 15.247 7.008 2.557 1.00 1.00 H new ATOM 0 HA LEU A 98 14.524 9.218 1.030 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.059 8.039 2.658 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.067 8.577 3.987 1.00 1.00 H new ATOM 0 HG LEU A 98 13.171 10.779 2.212 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.850 10.780 3.103 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.160 9.322 2.130 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.160 9.223 3.907 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.687 11.824 4.418 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.995 10.266 5.221 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.320 11.117 4.391 1.00 1.00 H new ATOM 1485 N ASN A 99 16.465 9.929 3.613 1.00 1.00 N ATOM 1486 CA ASN A 99 17.350 10.939 4.176 1.00 1.00 C ATOM 1487 C ASN A 99 18.400 11.360 3.154 1.00 1.00 C ATOM 1488 O ASN A 99 18.819 12.519 3.119 1.00 1.00 O ATOM 1489 CB ASN A 99 18.033 10.385 5.427 1.00 1.00 C ATOM 1490 CG ASN A 99 17.539 11.132 6.660 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.931 12.277 6.890 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.694 10.555 7.469 1.00 1.00 N ATOM 0 H ASN A 99 16.433 9.055 4.138 1.00 1.00 H new ATOM 0 HA ASN A 99 16.758 11.814 4.444 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.821 9.320 5.527 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.114 10.488 5.338 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.357 11.052 8.293 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.370 9.607 7.277 1.00 1.00 H new ATOM 1499 N GLY A 100 18.816 10.415 2.318 1.00 1.00 N ATOM 1500 CA GLY A 100 19.813 10.702 1.293 1.00 1.00 C ATOM 1501 C GLY A 100 19.189 11.477 0.139 1.00 1.00 C ATOM 1502 O GLY A 100 19.845 12.303 -0.497 1.00 1.00 O ATOM 0 H GLY A 100 18.482 9.451 2.329 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.631 11.279 1.725 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.241 9.770 0.923 1.00 1.00 H new ATOM 1506 N ILE A 101 17.915 11.207 -0.125 1.00 1.00 N ATOM 1507 CA ILE A 101 17.203 11.884 -1.203 1.00 1.00 C ATOM 1508 C ILE A 101 16.890 13.324 -0.811 1.00 1.00 C ATOM 1509 O ILE A 101 16.959 14.232 -1.640 1.00 1.00 O ATOM 1510 CB ILE A 101 15.903 11.136 -1.514 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.226 9.879 -2.320 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.967 12.035 -2.326 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.295 8.744 -1.891 1.00 1.00 C ATOM 0 H ILE A 101 17.356 10.527 0.390 1.00 1.00 H new ATOM 0 HA ILE A 101 17.836 11.893 -2.090 1.00 1.00 H new ATOM 0 HB ILE A 101 15.413 10.860 -0.580 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.108 10.077 -3.385 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.265 9.590 -2.162 1.00 1.00 H new ATOM 0 HG21 ILE A 101 14.044 11.497 -2.544 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.737 12.933 -1.753 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.453 12.316 -3.261 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.526 7.847 -2.466 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.435 8.540 -0.829 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.260 9.035 -2.071 1.00 1.00 H new ATOM 1525 N ALA A 102 16.547 13.528 0.457 1.00 1.00 N ATOM 1526 CA ALA A 102 16.225 14.862 0.947 1.00 1.00 C ATOM 1527 C ALA A 102 17.419 15.795 0.779 1.00 1.00 C ATOM 1528 O ALA A 102 17.261 17.010 0.667 1.00 1.00 O ATOM 1529 CB ALA A 102 15.828 14.797 2.423 1.00 1.00 C ATOM 0 H ALA A 102 16.485 12.791 1.159 1.00 1.00 H new ATOM 0 HA ALA A 102 15.389 15.250 0.365 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.589 15.799 2.780 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.956 14.154 2.537 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.656 14.392 3.005 1.00 1.00 H new ATOM 1535 N LYS A 103 18.616 15.216 0.763 1.00 1.00 N ATOM 1536 CA LYS A 103 19.832 16.005 0.607 1.00 1.00 C ATOM 1537 C LYS A 103 19.985 16.469 -0.838 1.00 1.00 C ATOM 1538 O LYS A 103 20.343 17.617 -1.096 1.00 1.00 O ATOM 1539 CB LYS A 103 21.051 15.172 1.009 1.00 1.00 C ATOM 1540 CG LYS A 103 22.329 15.923 0.631 1.00 1.00 C ATOM 1541 CD LYS A 103 23.445 15.559 1.613 1.00 1.00 C ATOM 1542 CE LYS A 103 23.684 14.048 1.578 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.145 13.774 1.678 1.00 1.00 N ATOM 0 H LYS A 103 18.769 14.212 0.855 1.00 1.00 H new ATOM 0 HA LYS A 103 19.762 16.880 1.254 1.00 1.00 H new ATOM 0 HB2 LYS A 103 21.034 14.978 2.081 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.024 14.204 0.509 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.627 15.667 -0.386 1.00 1.00 H new ATOM 0 HG3 LYS A 103 22.150 16.998 0.649 1.00 1.00 H new ATOM 0 HD2 LYS A 103 24.361 16.089 1.351 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.173 15.871 2.621 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.156 13.566 2.401 1.00 1.00 H new ATOM 0 HE3 LYS A 103 23.287 13.627 0.654 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.308 12.747 1.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.638 14.221 0.879 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.511 14.162 2.571 1.00 1.00 H new ATOM 1557 N GLN A 104 19.712 15.567 -1.775 1.00 1.00 N ATOM 1558 CA GLN A 104 19.822 15.895 -3.192 1.00 1.00 C ATOM 1559 C GLN A 104 18.689 16.823 -3.615 1.00 1.00 C ATOM 1560 O GLN A 104 18.924 17.868 -4.224 1.00 1.00 O ATOM 1561 CB GLN A 104 19.777 14.616 -4.031 1.00 1.00 C ATOM 1562 CG GLN A 104 20.954 13.715 -3.652 1.00 1.00 C ATOM 1563 CD GLN A 104 22.096 13.903 -4.644 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.633 15.003 -4.771 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.500 12.889 -5.359 1.00 1.00 N ATOM 0 H GLN A 104 19.415 14.611 -1.581 1.00 1.00 H new ATOM 0 HA GLN A 104 20.773 16.402 -3.355 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.836 14.092 -3.864 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.821 14.863 -5.092 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.294 13.952 -2.644 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.636 12.672 -3.644 1.00 1.00 H new ATOM 0 HE21 GLN A 104 22.053 11.979 -5.251 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.263 13.007 -6.026 1.00 1.00 H new