USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 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 Set 1.1: A 70 GLN : amide:sc= -2.57! C(o=-1.6!,f=-2.5!) USER MOD Set 1.2: A 74 THR OG1 : rot 109:sc= 0.977 USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= -0.378 USER MOD Set 2.2: A 15 GLN : amide:sc= -6.36! K(o=-6.7!,f=0.35) USER MOD Single : A 6 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.12) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.126 K(o=0.13,f=-4.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 100:sc= 1.29 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= -0.922 (180deg=-2.78!) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.0962 (180deg=-0.608) USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= 0.429 (180deg=0.000447) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.225 USER MOD Single : A 96 SER OG : rot 76:sc= 0.941 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.651 11.139 -13.941 1.00 1.00 N ATOM 47 CA GLU A 4 7.566 10.657 -13.093 1.00 1.00 C ATOM 48 C GLU A 4 6.225 11.203 -13.577 1.00 1.00 C ATOM 49 O GLU A 4 5.191 10.553 -13.429 1.00 1.00 O ATOM 50 CB GLU A 4 7.804 11.089 -11.644 1.00 1.00 C ATOM 51 CG GLU A 4 7.490 12.580 -11.497 1.00 1.00 C ATOM 52 CD GLU A 4 8.117 13.121 -10.217 1.00 1.00 C ATOM 53 OE1 GLU A 4 9.311 13.371 -10.226 1.00 1.00 O ATOM 54 OE2 GLU A 4 7.394 13.277 -9.247 1.00 1.00 O ATOM 0 HA GLU A 4 7.543 9.569 -13.147 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.175 10.506 -10.972 1.00 1.00 H new ATOM 0 HB3 GLU A 4 8.838 10.895 -11.361 1.00 1.00 H new ATOM 0 HG2 GLU A 4 7.872 13.127 -12.359 1.00 1.00 H new ATOM 0 HG3 GLU A 4 6.411 12.732 -11.476 1.00 1.00 H new ATOM 61 N LEU A 5 6.253 12.399 -14.154 1.00 1.00 N ATOM 62 CA LEU A 5 5.032 13.022 -14.656 1.00 1.00 C ATOM 63 C LEU A 5 4.437 12.192 -15.791 1.00 1.00 C ATOM 64 O LEU A 5 3.252 11.858 -15.772 1.00 1.00 O ATOM 65 CB LEU A 5 5.334 14.435 -15.161 1.00 1.00 C ATOM 66 CG LEU A 5 5.989 15.254 -14.044 1.00 1.00 C ATOM 67 CD1 LEU A 5 6.337 16.648 -14.571 1.00 1.00 C ATOM 68 CD2 LEU A 5 5.022 15.386 -12.862 1.00 1.00 C ATOM 0 H LEU A 5 7.099 12.953 -14.286 1.00 1.00 H new ATOM 0 HA LEU A 5 4.311 13.075 -13.840 1.00 1.00 H new ATOM 0 HB2 LEU A 5 5.995 14.389 -16.026 1.00 1.00 H new ATOM 0 HB3 LEU A 5 4.414 14.919 -15.488 1.00 1.00 H new ATOM 0 HG LEU A 5 6.897 14.749 -13.714 1.00 1.00 H new ATOM 0 HD11 LEU A 5 6.803 17.231 -13.777 1.00 1.00 H new ATOM 0 HD12 LEU A 5 7.028 16.558 -15.409 1.00 1.00 H new ATOM 0 HD13 LEU A 5 5.428 17.149 -14.903 1.00 1.00 H new ATOM 0 HD21 LEU A 5 5.492 15.969 -12.070 1.00 1.00 H new ATOM 0 HD22 LEU A 5 4.112 15.888 -13.191 1.00 1.00 H new ATOM 0 HD23 LEU A 5 4.773 14.395 -12.483 1.00 1.00 H new ATOM 80 N GLN A 6 5.267 11.863 -16.775 1.00 1.00 N ATOM 81 CA GLN A 6 4.811 11.072 -17.912 1.00 1.00 C ATOM 82 C GLN A 6 4.335 9.698 -17.452 1.00 1.00 C ATOM 83 O GLN A 6 3.441 9.104 -18.057 1.00 1.00 O ATOM 84 CB GLN A 6 5.947 10.907 -18.923 1.00 1.00 C ATOM 85 CG GLN A 6 6.428 12.285 -19.379 1.00 1.00 C ATOM 86 CD GLN A 6 7.825 12.557 -18.830 1.00 1.00 C ATOM 87 OE1 GLN A 6 8.776 11.857 -19.175 1.00 1.00 O ATOM 88 NE2 GLN A 6 8.006 13.540 -17.990 1.00 1.00 N ATOM 0 H GLN A 6 6.251 12.129 -16.809 1.00 1.00 H new ATOM 0 HA GLN A 6 3.978 11.594 -18.383 1.00 1.00 H new ATOM 0 HB2 GLN A 6 6.771 10.353 -18.473 1.00 1.00 H new ATOM 0 HB3 GLN A 6 5.604 10.328 -19.780 1.00 1.00 H new ATOM 0 HG2 GLN A 6 6.440 12.333 -20.468 1.00 1.00 H new ATOM 0 HG3 GLN A 6 5.736 13.054 -19.034 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.216 14.119 -17.705 1.00 1.00 H new ATOM 0 HE22 GLN A 6 8.937 13.729 -17.619 1.00 1.00 H new ATOM 97 N CYS A 7 4.936 9.198 -16.377 1.00 1.00 N ATOM 98 CA CYS A 7 4.565 7.891 -15.843 1.00 1.00 C ATOM 99 C CYS A 7 3.147 7.925 -15.283 1.00 1.00 C ATOM 100 O CYS A 7 2.394 6.960 -15.413 1.00 1.00 O ATOM 101 CB CYS A 7 5.543 7.484 -14.739 1.00 1.00 C ATOM 102 SG CYS A 7 5.378 5.711 -14.409 1.00 1.00 S ATOM 0 H CYS A 7 5.677 9.673 -15.861 1.00 1.00 H new ATOM 0 HA CYS A 7 4.606 7.162 -16.652 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.565 7.715 -15.040 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.342 8.054 -13.832 1.00 1.00 H new ATOM 0 HG CYS A 7 6.210 5.365 -13.472 1.00 1.00 H new ATOM 107 N ILE A 8 2.792 9.036 -14.651 1.00 1.00 N ATOM 108 CA ILE A 8 1.465 9.188 -14.066 1.00 1.00 C ATOM 109 C ILE A 8 0.394 9.323 -15.147 1.00 1.00 C ATOM 110 O ILE A 8 -0.741 8.883 -14.964 1.00 1.00 O ATOM 111 CB ILE A 8 1.432 10.421 -13.162 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.349 10.192 -11.958 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.002 10.660 -12.676 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.665 11.534 -11.295 1.00 1.00 C ATOM 0 H ILE A 8 3.403 9.844 -14.530 1.00 1.00 H new ATOM 0 HA ILE A 8 1.253 8.294 -13.480 1.00 1.00 H new ATOM 0 HB ILE A 8 1.775 11.292 -13.721 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.868 9.525 -11.243 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.271 9.706 -12.277 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.021 11.539 -12.032 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.651 10.821 -13.533 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.342 9.790 -12.116 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.318 11.371 -10.438 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.164 12.186 -12.012 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.739 12.002 -10.962 1.00 1.00 H new ATOM 126 N ARG A 9 0.753 9.945 -16.267 1.00 1.00 N ATOM 127 CA ARG A 9 -0.201 10.140 -17.357 1.00 1.00 C ATOM 128 C ARG A 9 -0.743 8.804 -17.859 1.00 1.00 C ATOM 129 O ARG A 9 -1.945 8.659 -18.076 1.00 1.00 O ATOM 130 CB ARG A 9 0.476 10.881 -18.511 1.00 1.00 C ATOM 131 CG ARG A 9 0.308 12.391 -18.324 1.00 1.00 C ATOM 132 CD ARG A 9 1.005 13.129 -19.468 1.00 1.00 C ATOM 133 NE ARG A 9 1.864 14.182 -18.939 1.00 1.00 N ATOM 134 CZ ARG A 9 1.350 15.251 -18.340 1.00 1.00 C ATOM 135 NH1 ARG A 9 0.058 15.367 -18.208 1.00 1.00 N ATOM 136 NH2 ARG A 9 2.140 16.185 -17.882 1.00 1.00 N ATOM 0 H ARG A 9 1.685 10.319 -16.444 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.035 10.730 -16.977 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.535 10.625 -18.549 1.00 1.00 H new ATOM 0 HB3 ARG A 9 0.039 10.572 -19.461 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -0.751 12.650 -18.302 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.731 12.699 -17.368 1.00 1.00 H new ATOM 0 HD2 ARG A 9 1.597 12.427 -20.056 1.00 1.00 H new ATOM 0 HD3 ARG A 9 0.262 13.559 -20.139 1.00 1.00 H new ATOM 0 HE ARG A 9 2.876 14.097 -19.030 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -0.559 14.637 -18.565 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -0.336 16.188 -17.748 1.00 1.00 H new ATOM 0 HH21 ARG A 9 3.151 16.093 -17.984 1.00 1.00 H new ATOM 0 HH22 ARG A 9 1.746 17.006 -17.422 1.00 1.00 H new ATOM 150 N GLU A 10 0.144 7.831 -18.034 1.00 1.00 N ATOM 151 CA GLU A 10 -0.275 6.514 -18.506 1.00 1.00 C ATOM 152 C GLU A 10 -1.025 5.772 -17.405 1.00 1.00 C ATOM 153 O GLU A 10 -1.997 5.065 -17.666 1.00 1.00 O ATOM 154 CB GLU A 10 0.939 5.692 -18.957 1.00 1.00 C ATOM 155 CG GLU A 10 2.029 5.731 -17.883 1.00 1.00 C ATOM 156 CD GLU A 10 3.213 4.869 -18.306 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.012 5.345 -19.096 1.00 1.00 O ATOM 158 OE2 GLU A 10 3.311 3.754 -17.824 1.00 1.00 O ATOM 0 H GLU A 10 1.145 7.925 -17.859 1.00 1.00 H new ATOM 0 HA GLU A 10 -0.940 6.651 -19.358 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.640 4.661 -19.146 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.328 6.088 -19.895 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.356 6.758 -17.723 1.00 1.00 H new ATOM 0 HG3 GLU A 10 1.629 5.373 -16.935 1.00 1.00 H new ATOM 165 N CYS A 11 -0.562 5.941 -16.170 1.00 1.00 N ATOM 166 CA CYS A 11 -1.190 5.286 -15.029 1.00 1.00 C ATOM 167 C CYS A 11 -2.561 5.893 -14.747 1.00 1.00 C ATOM 168 O CYS A 11 -3.481 5.198 -14.313 1.00 1.00 O ATOM 169 CB CYS A 11 -0.304 5.433 -13.791 1.00 1.00 C ATOM 170 SG CYS A 11 -1.043 4.528 -12.409 1.00 1.00 S ATOM 0 H CYS A 11 0.242 6.523 -15.935 1.00 1.00 H new ATOM 0 HA CYS A 11 -1.315 4.229 -15.266 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.695 5.049 -13.998 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.194 6.486 -13.533 1.00 1.00 H new ATOM 0 HG CYS A 11 -0.289 4.651 -11.357 1.00 1.00 H new ATOM 175 N ARG A 12 -2.693 7.192 -14.996 1.00 1.00 N ATOM 176 CA ARG A 12 -3.957 7.880 -14.760 1.00 1.00 C ATOM 177 C ARG A 12 -5.095 7.167 -15.487 1.00 1.00 C ATOM 178 O ARG A 12 -6.129 6.864 -14.894 1.00 1.00 O ATOM 179 CB ARG A 12 -3.857 9.331 -15.249 1.00 1.00 C ATOM 180 CG ARG A 12 -5.225 10.027 -15.160 1.00 1.00 C ATOM 181 CD ARG A 12 -5.818 9.858 -13.757 1.00 1.00 C ATOM 182 NE ARG A 12 -4.778 10.008 -12.743 1.00 1.00 N ATOM 183 CZ ARG A 12 -5.086 10.215 -11.466 1.00 1.00 C ATOM 184 NH1 ARG A 12 -6.337 10.273 -11.097 1.00 1.00 N ATOM 185 NH2 ARG A 12 -4.136 10.362 -10.582 1.00 1.00 N ATOM 0 H ARG A 12 -1.947 7.785 -15.358 1.00 1.00 H new ATOM 0 HA ARG A 12 -4.166 7.872 -13.690 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -3.127 9.874 -14.648 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -3.500 9.350 -16.279 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -5.117 11.087 -15.391 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.904 9.606 -15.902 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.602 10.598 -13.595 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.283 8.876 -13.668 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.798 9.953 -13.019 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -7.078 10.160 -11.788 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -6.573 10.432 -10.117 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.159 10.318 -10.871 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -4.371 10.521 -9.602 1.00 1.00 H new ATOM 199 N LEU A 13 -4.895 6.905 -16.774 1.00 1.00 N ATOM 200 CA LEU A 13 -5.911 6.228 -17.573 1.00 1.00 C ATOM 201 C LEU A 13 -6.306 4.906 -16.923 1.00 1.00 C ATOM 202 O LEU A 13 -7.489 4.583 -16.819 1.00 1.00 O ATOM 203 CB LEU A 13 -5.378 5.971 -18.987 1.00 1.00 C ATOM 204 CG LEU A 13 -6.493 5.410 -19.879 1.00 1.00 C ATOM 205 CD1 LEU A 13 -7.607 6.449 -20.053 1.00 1.00 C ATOM 206 CD2 LEU A 13 -5.913 5.059 -21.251 1.00 1.00 C ATOM 0 H LEU A 13 -4.046 7.149 -17.284 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.792 6.868 -17.631 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -4.993 6.898 -19.413 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -4.545 5.269 -18.948 1.00 1.00 H new ATOM 0 HG LEU A 13 -6.908 4.518 -19.410 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -8.392 6.038 -20.688 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.024 6.702 -19.078 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -7.198 7.347 -20.517 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -6.702 4.660 -21.888 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -5.495 5.955 -21.709 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.128 4.312 -21.134 1.00 1.00 H new ATOM 218 N ALA A 14 -5.307 4.147 -16.485 1.00 1.00 N ATOM 219 CA ALA A 14 -5.564 2.861 -15.846 1.00 1.00 C ATOM 220 C ALA A 14 -6.217 3.064 -14.482 1.00 1.00 C ATOM 221 O ALA A 14 -6.949 2.201 -13.999 1.00 1.00 O ATOM 222 CB ALA A 14 -4.251 2.091 -15.675 1.00 1.00 C ATOM 0 H ALA A 14 -4.321 4.397 -16.559 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.241 2.289 -16.480 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.451 1.132 -15.197 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.798 1.922 -16.652 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.568 2.670 -15.054 1.00 1.00 H new ATOM 228 N GLN A 15 -5.949 4.212 -13.869 1.00 1.00 N ATOM 229 CA GLN A 15 -6.516 4.520 -12.562 1.00 1.00 C ATOM 230 C GLN A 15 -7.968 4.968 -12.701 1.00 1.00 C ATOM 231 O GLN A 15 -8.827 4.571 -11.914 1.00 1.00 O ATOM 232 CB GLN A 15 -5.702 5.627 -11.887 1.00 1.00 C ATOM 233 CG GLN A 15 -5.223 5.146 -10.517 1.00 1.00 C ATOM 234 CD GLN A 15 -4.222 4.007 -10.682 1.00 1.00 C ATOM 235 OE1 GLN A 15 -3.626 3.557 -9.705 1.00 1.00 O ATOM 236 NE2 GLN A 15 -4.003 3.513 -11.870 1.00 1.00 N ATOM 0 H GLN A 15 -5.347 4.940 -14.253 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.481 3.619 -11.950 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.848 5.895 -12.509 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.311 6.525 -11.777 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -4.761 5.971 -9.974 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -6.073 4.810 -9.923 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -4.499 3.889 -12.678 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -3.336 2.751 -11.990 1.00 1.00 H new ATOM 598 N ALA A 45 6.358 -10.666 -5.259 1.00 1.00 N ATOM 599 CA ALA A 45 7.705 -10.677 -5.809 1.00 1.00 C ATOM 600 C ALA A 45 8.494 -9.464 -5.322 1.00 1.00 C ATOM 601 O ALA A 45 9.710 -9.539 -5.145 1.00 1.00 O ATOM 602 CB ALA A 45 7.636 -10.669 -7.338 1.00 1.00 C ATOM 0 HA ALA A 45 8.213 -11.580 -5.471 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.646 -10.677 -7.748 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.097 -11.552 -7.683 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.115 -9.772 -7.674 1.00 1.00 H new ATOM 608 N ILE A 46 7.794 -8.352 -5.100 1.00 1.00 N ATOM 609 CA ILE A 46 8.438 -7.130 -4.621 1.00 1.00 C ATOM 610 C ILE A 46 7.829 -6.692 -3.291 1.00 1.00 C ATOM 611 O ILE A 46 8.478 -6.016 -2.492 1.00 1.00 O ATOM 612 CB ILE A 46 8.276 -6.008 -5.650 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.438 -6.511 -6.828 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.653 -5.574 -6.154 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.219 -5.369 -7.824 1.00 1.00 C ATOM 0 H ILE A 46 6.787 -8.272 -5.243 1.00 1.00 H new ATOM 0 HA ILE A 46 9.499 -7.336 -4.477 1.00 1.00 H new ATOM 0 HB ILE A 46 7.775 -5.159 -5.184 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.943 -7.343 -7.318 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.479 -6.886 -6.472 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.537 -4.775 -6.887 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.250 -5.214 -5.316 1.00 1.00 H new ATOM 0 HG23 ILE A 46 10.154 -6.423 -6.619 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.622 -5.727 -8.663 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.696 -4.550 -7.330 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.183 -5.015 -8.189 1.00 1.00 H new ATOM 627 N ALA A 47 6.580 -7.084 -3.064 1.00 1.00 N ATOM 628 CA ALA A 47 5.888 -6.733 -1.828 1.00 1.00 C ATOM 629 C ALA A 47 6.556 -7.394 -0.627 1.00 1.00 C ATOM 630 O ALA A 47 6.401 -6.942 0.508 1.00 1.00 O ATOM 631 CB ALA A 47 4.425 -7.173 -1.906 1.00 1.00 C ATOM 0 H ALA A 47 6.028 -7.642 -3.715 1.00 1.00 H new ATOM 0 HA ALA A 47 5.938 -5.651 -1.704 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.915 -6.908 -0.980 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.939 -6.673 -2.744 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.377 -8.252 -2.050 1.00 1.00 H new ATOM 637 N ASN A 48 7.297 -8.466 -0.886 1.00 1.00 N ATOM 638 CA ASN A 48 7.983 -9.184 0.182 1.00 1.00 C ATOM 639 C ASN A 48 9.306 -8.508 0.508 1.00 1.00 C ATOM 640 O ASN A 48 9.863 -8.696 1.591 1.00 1.00 O ATOM 641 CB ASN A 48 8.237 -10.633 -0.240 1.00 1.00 C ATOM 642 CG ASN A 48 9.284 -10.677 -1.349 1.00 1.00 C ATOM 643 OD1 ASN A 48 9.195 -9.924 -2.318 1.00 1.00 O ATOM 644 ND2 ASN A 48 10.275 -11.521 -1.263 1.00 1.00 N ATOM 0 H ASN A 48 7.437 -8.855 -1.819 1.00 1.00 H new ATOM 0 HA ASN A 48 7.351 -9.173 1.070 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.577 -11.216 0.616 1.00 1.00 H new ATOM 0 HB3 ASN A 48 7.309 -11.088 -0.586 1.00 1.00 H new ATOM 0 HD21 ASN A 48 10.979 -11.558 -2.000 1.00 1.00 H new ATOM 0 HD22 ASN A 48 10.346 -12.144 -0.458 1.00 1.00 H new ATOM 651 N PHE A 49 9.801 -7.719 -0.436 1.00 1.00 N ATOM 652 CA PHE A 49 11.059 -7.014 -0.244 1.00 1.00 C ATOM 653 C PHE A 49 10.869 -5.837 0.706 1.00 1.00 C ATOM 654 O PHE A 49 11.826 -5.152 1.065 1.00 1.00 O ATOM 655 CB PHE A 49 11.583 -6.518 -1.592 1.00 1.00 C ATOM 656 CG PHE A 49 12.781 -7.344 -1.997 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.684 -8.740 -2.031 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.986 -6.717 -2.336 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.792 -9.509 -2.405 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.093 -7.485 -2.711 1.00 1.00 C ATOM 661 CZ PHE A 49 14.996 -8.882 -2.746 1.00 1.00 C ATOM 0 H PHE A 49 9.353 -7.552 -1.337 1.00 1.00 H new ATOM 0 HA PHE A 49 11.784 -7.700 0.194 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.802 -6.594 -2.349 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.859 -5.466 -1.523 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.755 -9.223 -1.769 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.061 -5.640 -2.308 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.718 -10.586 -2.430 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.022 -7.001 -2.973 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.850 -9.475 -3.036 1.00 1.00 H new ATOM 671 N LEU A 50 9.623 -5.620 1.119 1.00 1.00 N ATOM 672 CA LEU A 50 9.299 -4.536 2.043 1.00 1.00 C ATOM 673 C LEU A 50 8.727 -5.114 3.335 1.00 1.00 C ATOM 674 O LEU A 50 7.592 -5.590 3.366 1.00 1.00 O ATOM 675 CB LEU A 50 8.270 -3.590 1.405 1.00 1.00 C ATOM 676 CG LEU A 50 8.962 -2.614 0.442 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.189 -2.560 -0.876 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.984 -1.218 1.068 1.00 1.00 C ATOM 0 H LEU A 50 8.821 -6.180 0.829 1.00 1.00 H new ATOM 0 HA LEU A 50 10.208 -3.978 2.266 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.519 -4.169 0.868 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.747 -3.034 2.183 1.00 1.00 H new ATOM 0 HG LEU A 50 9.981 -2.952 0.254 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.681 -1.867 -1.558 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.163 -3.553 -1.324 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.170 -2.221 -0.687 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.474 -0.522 0.388 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.962 -0.886 1.253 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.531 -1.250 2.010 1.00 1.00 H new ATOM 690 N GLU A 51 9.521 -5.072 4.403 1.00 1.00 N ATOM 691 CA GLU A 51 9.085 -5.598 5.694 1.00 1.00 C ATOM 692 C GLU A 51 7.734 -4.988 6.087 1.00 1.00 C ATOM 693 O GLU A 51 7.409 -3.878 5.669 1.00 1.00 O ATOM 694 CB GLU A 51 10.138 -5.270 6.759 1.00 1.00 C ATOM 695 CG GLU A 51 11.235 -6.340 6.742 1.00 1.00 C ATOM 696 CD GLU A 51 10.744 -7.602 7.441 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.433 -7.518 8.617 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.659 -8.626 6.784 1.00 1.00 O ATOM 0 H GLU A 51 10.463 -4.682 4.400 1.00 1.00 H new ATOM 0 HA GLU A 51 8.969 -6.679 5.619 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.570 -4.288 6.567 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.673 -5.227 7.744 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.515 -6.569 5.714 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.129 -5.964 7.239 1.00 1.00 H new ATOM 705 N PRO A 52 6.943 -5.681 6.877 1.00 1.00 N ATOM 706 CA PRO A 52 5.607 -5.174 7.315 1.00 1.00 C ATOM 707 C PRO A 52 5.708 -3.829 8.032 1.00 1.00 C ATOM 708 O PRO A 52 5.030 -2.870 7.667 1.00 1.00 O ATOM 709 CB PRO A 52 5.072 -6.258 8.261 1.00 1.00 C ATOM 710 CG PRO A 52 6.237 -7.130 8.595 1.00 1.00 C ATOM 711 CD PRO A 52 7.223 -7.012 7.436 1.00 1.00 C ATOM 0 HA PRO A 52 4.950 -4.997 6.463 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.647 -5.814 9.161 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.279 -6.834 7.784 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.700 -6.815 9.530 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.920 -8.164 8.729 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.255 -7.094 7.778 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.068 -7.798 6.697 1.00 1.00 H new ATOM 719 N GLN A 53 6.563 -3.765 9.048 1.00 1.00 N ATOM 720 CA GLN A 53 6.742 -2.526 9.798 1.00 1.00 C ATOM 721 C GLN A 53 7.243 -1.426 8.872 1.00 1.00 C ATOM 722 O GLN A 53 6.727 -0.308 8.877 1.00 1.00 O ATOM 723 CB GLN A 53 7.744 -2.737 10.935 1.00 1.00 C ATOM 724 CG GLN A 53 7.224 -3.819 11.886 1.00 1.00 C ATOM 725 CD GLN A 53 7.797 -3.601 13.282 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.213 -2.876 14.087 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.917 -4.182 13.616 1.00 1.00 N ATOM 0 H GLN A 53 7.136 -4.546 9.368 1.00 1.00 H new ATOM 0 HA GLN A 53 5.782 -2.231 10.221 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.712 -3.030 10.530 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.895 -1.804 11.478 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.135 -3.791 11.922 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.506 -4.805 11.518 1.00 1.00 H new ATOM 0 HE21 GLN A 53 9.399 -4.782 12.947 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.310 -4.036 14.546 1.00 1.00 H new ATOM 736 N ALA A 54 8.249 -1.757 8.070 1.00 1.00 N ATOM 737 CA ALA A 54 8.813 -0.800 7.127 1.00 1.00 C ATOM 738 C ALA A 54 7.749 -0.345 6.141 1.00 1.00 C ATOM 739 O ALA A 54 7.797 0.771 5.625 1.00 1.00 O ATOM 740 CB ALA A 54 9.973 -1.441 6.365 1.00 1.00 C ATOM 0 H ALA A 54 8.689 -2.677 8.054 1.00 1.00 H new ATOM 0 HA ALA A 54 9.178 0.064 7.683 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.389 -0.720 5.662 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.746 -1.748 7.070 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.612 -2.313 5.819 1.00 1.00 H new ATOM 746 N LEU A 55 6.790 -1.225 5.882 1.00 1.00 N ATOM 747 CA LEU A 55 5.712 -0.912 4.949 1.00 1.00 C ATOM 748 C LEU A 55 4.909 0.290 5.437 1.00 1.00 C ATOM 749 O LEU A 55 4.526 1.156 4.650 1.00 1.00 O ATOM 750 CB LEU A 55 4.785 -2.120 4.800 1.00 1.00 C ATOM 751 CG LEU A 55 4.574 -2.423 3.315 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.636 -3.622 3.166 1.00 1.00 C ATOM 753 CD2 LEU A 55 3.952 -1.205 2.628 1.00 1.00 C ATOM 0 H LEU A 55 6.735 -2.154 6.300 1.00 1.00 H new ATOM 0 HA LEU A 55 6.154 -0.670 3.982 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.217 -2.987 5.301 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.828 -1.918 5.280 1.00 1.00 H new ATOM 0 HG LEU A 55 5.534 -2.652 2.853 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.486 -3.837 2.108 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.076 -4.491 3.654 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.676 -3.393 3.629 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.802 -1.421 1.570 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.992 -0.976 3.091 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.618 -0.349 2.732 1.00 1.00 H new ATOM 765 N GLU A 56 4.658 0.334 6.740 1.00 1.00 N ATOM 766 CA GLU A 56 3.895 1.431 7.328 1.00 1.00 C ATOM 767 C GLU A 56 4.679 2.739 7.262 1.00 1.00 C ATOM 768 O GLU A 56 4.098 3.809 7.084 1.00 1.00 O ATOM 769 CB GLU A 56 3.562 1.107 8.784 1.00 1.00 C ATOM 770 CG GLU A 56 2.962 2.343 9.460 1.00 1.00 C ATOM 771 CD GLU A 56 1.962 1.917 10.529 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.916 1.408 10.163 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.259 2.103 11.697 1.00 1.00 O ATOM 0 H GLU A 56 4.969 -0.372 7.407 1.00 1.00 H new ATOM 0 HA GLU A 56 2.974 1.551 6.758 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.858 0.276 8.831 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.462 0.792 9.312 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.754 2.943 9.909 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.469 2.970 8.718 1.00 1.00 H new ATOM 780 N ARG A 57 5.995 2.648 7.419 1.00 1.00 N ATOM 781 CA ARG A 57 6.840 3.829 7.391 1.00 1.00 C ATOM 782 C ARG A 57 6.698 4.577 6.069 1.00 1.00 C ATOM 783 O ARG A 57 6.387 5.769 6.052 1.00 1.00 O ATOM 784 CB ARG A 57 8.302 3.410 7.594 1.00 1.00 C ATOM 785 CG ARG A 57 9.225 4.633 7.535 1.00 1.00 C ATOM 786 CD ARG A 57 8.788 5.666 8.575 1.00 1.00 C ATOM 787 NE ARG A 57 8.281 5.000 9.769 1.00 1.00 N ATOM 788 CZ ARG A 57 7.465 5.624 10.612 1.00 1.00 C ATOM 789 NH1 ARG A 57 7.122 6.863 10.394 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.006 4.995 11.661 1.00 1.00 N ATOM 0 H ARG A 57 6.495 1.771 7.566 1.00 1.00 H new ATOM 0 HA ARG A 57 6.528 4.498 8.193 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.413 2.910 8.556 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.591 2.692 6.826 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.256 4.331 7.721 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.197 5.073 6.538 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.630 6.306 8.838 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.016 6.311 8.155 1.00 1.00 H new ATOM 0 HE ARG A 57 8.558 4.037 9.961 1.00 1.00 H new ATOM 0 HH11 ARG A 57 7.480 7.355 9.575 1.00 1.00 H new ATOM 0 HH12 ARG A 57 6.496 7.340 11.042 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.274 4.026 11.832 1.00 1.00 H new ATOM 0 HH22 ARG A 57 6.380 5.473 12.309 1.00 1.00 H new ATOM 804 N LEU A 58 6.936 3.882 4.962 1.00 1.00 N ATOM 805 CA LEU A 58 6.838 4.512 3.650 1.00 1.00 C ATOM 806 C LEU A 58 5.428 5.054 3.427 1.00 1.00 C ATOM 807 O LEU A 58 5.234 6.067 2.757 1.00 1.00 O ATOM 808 CB LEU A 58 7.192 3.499 2.553 1.00 1.00 C ATOM 809 CG LEU A 58 7.053 4.139 1.165 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.892 5.415 1.080 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.550 3.154 0.105 1.00 1.00 C ATOM 0 H LEU A 58 7.195 2.896 4.945 1.00 1.00 H new ATOM 0 HA LEU A 58 7.543 5.342 3.607 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.212 3.142 2.695 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.537 2.631 2.627 1.00 1.00 H new ATOM 0 HG LEU A 58 6.005 4.385 0.995 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.783 5.857 0.090 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.552 6.125 1.834 1.00 1.00 H new ATOM 0 HD13 LEU A 58 8.940 5.174 1.256 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.453 3.604 -0.883 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.596 2.914 0.294 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.955 2.242 0.148 1.00 1.00 H new ATOM 823 N SER A 59 4.445 4.369 3.994 1.00 1.00 N ATOM 824 CA SER A 59 3.060 4.799 3.861 1.00 1.00 C ATOM 825 C SER A 59 2.831 6.122 4.592 1.00 1.00 C ATOM 826 O SER A 59 2.099 6.988 4.117 1.00 1.00 O ATOM 827 CB SER A 59 2.125 3.735 4.433 1.00 1.00 C ATOM 828 OG SER A 59 2.461 2.468 3.880 1.00 1.00 O ATOM 0 H SER A 59 4.578 3.521 4.545 1.00 1.00 H new ATOM 0 HA SER A 59 2.848 4.941 2.801 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.211 3.705 5.519 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.089 3.982 4.202 1.00 1.00 H new ATOM 0 HG SER A 59 3.010 1.967 4.519 1.00 1.00 H new ATOM 834 N ARG A 60 3.442 6.251 5.768 1.00 1.00 N ATOM 835 CA ARG A 60 3.282 7.450 6.593 1.00 1.00 C ATOM 836 C ARG A 60 3.900 8.695 5.955 1.00 1.00 C ATOM 837 O ARG A 60 3.282 9.760 5.942 1.00 1.00 O ATOM 838 CB ARG A 60 3.935 7.220 7.959 1.00 1.00 C ATOM 839 CG ARG A 60 3.620 8.394 8.889 1.00 1.00 C ATOM 840 CD ARG A 60 3.903 7.987 10.335 1.00 1.00 C ATOM 841 NE ARG A 60 4.473 9.110 11.072 1.00 1.00 N ATOM 842 CZ ARG A 60 3.698 10.028 11.640 1.00 1.00 C ATOM 843 NH1 ARG A 60 2.400 9.934 11.544 1.00 1.00 N ATOM 844 NH2 ARG A 60 4.234 11.022 12.293 1.00 1.00 N ATOM 0 H ARG A 60 4.053 5.541 6.172 1.00 1.00 H new ATOM 0 HA ARG A 60 2.211 7.627 6.694 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.569 6.290 8.395 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.014 7.115 7.843 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.225 9.259 8.618 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.576 8.688 8.780 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.981 7.658 10.815 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.592 7.142 10.355 1.00 1.00 H new ATOM 0 HE ARG A 60 5.486 9.192 11.153 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.981 9.157 11.033 1.00 1.00 H new ATOM 0 HH12 ARG A 60 1.804 10.638 11.980 1.00 1.00 H new ATOM 0 HH21 ARG A 60 5.249 11.095 12.368 1.00 1.00 H new ATOM 0 HH22 ARG A 60 3.638 11.726 12.729 1.00 1.00 H new ATOM 858 N VAL A 61 5.120 8.570 5.443 1.00 1.00 N ATOM 859 CA VAL A 61 5.794 9.713 4.832 1.00 1.00 C ATOM 860 C VAL A 61 5.061 10.170 3.571 1.00 1.00 C ATOM 861 O VAL A 61 4.925 11.366 3.320 1.00 1.00 O ATOM 862 CB VAL A 61 7.241 9.348 4.492 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.252 8.152 3.557 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.928 10.539 3.818 1.00 1.00 C ATOM 0 H VAL A 61 5.657 7.703 5.438 1.00 1.00 H new ATOM 0 HA VAL A 61 5.789 10.535 5.548 1.00 1.00 H new ATOM 0 HB VAL A 61 7.778 9.097 5.407 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.282 7.890 3.313 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.768 7.305 4.044 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.715 8.401 2.642 1.00 1.00 H new ATOM 0 HG21 VAL A 61 8.958 10.276 3.577 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.395 10.796 2.902 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.920 11.394 4.494 1.00 1.00 H new ATOM 874 N ALA A 62 4.604 9.207 2.778 1.00 1.00 N ATOM 875 CA ALA A 62 3.898 9.513 1.536 1.00 1.00 C ATOM 876 C ALA A 62 2.840 10.598 1.736 1.00 1.00 C ATOM 877 O ALA A 62 2.657 11.460 0.875 1.00 1.00 O ATOM 878 CB ALA A 62 3.227 8.247 0.999 1.00 1.00 C ATOM 0 H ALA A 62 4.708 8.211 2.971 1.00 1.00 H new ATOM 0 HA ALA A 62 4.633 9.884 0.821 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.701 8.479 0.073 1.00 1.00 H new ATOM 0 HB2 ALA A 62 3.985 7.488 0.806 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.516 7.872 1.735 1.00 1.00 H new ATOM 884 N LEU A 63 2.137 10.549 2.863 1.00 1.00 N ATOM 885 CA LEU A 63 1.092 11.534 3.143 1.00 1.00 C ATOM 886 C LEU A 63 1.681 12.927 3.331 1.00 1.00 C ATOM 887 O LEU A 63 0.977 13.927 3.204 1.00 1.00 O ATOM 888 CB LEU A 63 0.329 11.150 4.412 1.00 1.00 C ATOM 889 CG LEU A 63 -0.831 10.217 4.054 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.309 9.035 3.238 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.482 9.700 5.338 1.00 1.00 C ATOM 0 H LEU A 63 2.268 9.847 3.591 1.00 1.00 H new ATOM 0 HA LEU A 63 0.416 11.546 2.288 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.000 10.658 5.117 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.050 12.045 4.905 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.566 10.765 3.465 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.137 8.373 2.985 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.155 9.402 2.322 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.428 8.486 3.824 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.308 9.036 5.085 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.744 9.154 5.926 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.858 10.542 5.920 1.00 1.00 H new ATOM 903 N VAL A 64 2.966 12.984 3.655 1.00 1.00 N ATOM 904 CA VAL A 64 3.629 14.262 3.884 1.00 1.00 C ATOM 905 C VAL A 64 4.504 14.658 2.698 1.00 1.00 C ATOM 906 O VAL A 64 4.399 15.776 2.193 1.00 1.00 O ATOM 907 CB VAL A 64 4.475 14.184 5.157 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.356 15.499 5.921 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.962 13.044 6.043 1.00 1.00 C ATOM 0 H VAL A 64 3.567 12.167 3.765 1.00 1.00 H new ATOM 0 HA VAL A 64 2.861 15.026 4.001 1.00 1.00 H new ATOM 0 HB VAL A 64 5.516 14.002 4.890 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.957 15.448 6.829 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.713 16.317 5.295 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.313 15.673 6.186 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.565 12.988 6.950 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.922 13.230 6.310 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.034 12.101 5.501 1.00 1.00 H new ATOM 919 N ARG A 65 5.370 13.747 2.261 1.00 1.00 N ATOM 920 CA ARG A 65 6.256 14.036 1.133 1.00 1.00 C ATOM 921 C ARG A 65 6.303 12.868 0.155 1.00 1.00 C ATOM 922 O ARG A 65 7.205 12.032 0.211 1.00 1.00 O ATOM 923 CB ARG A 65 7.668 14.328 1.635 1.00 1.00 C ATOM 924 CG ARG A 65 7.670 15.639 2.427 1.00 1.00 C ATOM 925 CD ARG A 65 9.075 15.908 2.970 1.00 1.00 C ATOM 926 NE ARG A 65 9.671 17.051 2.288 1.00 1.00 N ATOM 927 CZ ARG A 65 9.202 18.281 2.468 1.00 1.00 C ATOM 928 NH1 ARG A 65 8.186 18.482 3.262 1.00 1.00 N ATOM 929 NH2 ARG A 65 9.758 19.288 1.852 1.00 1.00 N ATOM 0 H ARG A 65 5.478 12.816 2.663 1.00 1.00 H new ATOM 0 HA ARG A 65 5.860 14.910 0.615 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.017 13.510 2.265 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.357 14.399 0.793 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.352 16.463 1.787 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.956 15.580 3.249 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.027 16.100 4.042 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.701 15.026 2.831 1.00 1.00 H new ATOM 0 HE ARG A 65 10.462 16.903 1.661 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.752 17.695 3.744 1.00 1.00 H new ATOM 0 HH12 ARG A 65 7.826 19.426 3.400 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.553 19.131 1.232 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.398 20.232 1.990 1.00 1.00 H new ATOM 943 N ARG A 66 5.332 12.826 -0.749 1.00 1.00 N ATOM 944 CA ARG A 66 5.275 11.766 -1.748 1.00 1.00 C ATOM 945 C ARG A 66 6.527 11.781 -2.623 1.00 1.00 C ATOM 946 O ARG A 66 6.974 10.737 -3.102 1.00 1.00 O ATOM 947 CB ARG A 66 4.035 11.944 -2.626 1.00 1.00 C ATOM 948 CG ARG A 66 3.939 10.780 -3.615 1.00 1.00 C ATOM 949 CD ARG A 66 2.533 10.731 -4.212 1.00 1.00 C ATOM 950 NE ARG A 66 1.717 9.751 -3.501 1.00 1.00 N ATOM 951 CZ ARG A 66 0.419 9.629 -3.755 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.148 10.391 -4.650 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.292 8.745 -3.106 1.00 1.00 N ATOM 0 H ARG A 66 4.577 13.509 -0.811 1.00 1.00 H new ATOM 0 HA ARG A 66 5.221 10.808 -1.230 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.140 11.983 -2.006 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.091 12.890 -3.165 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.678 10.901 -4.407 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.164 9.841 -3.110 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.069 11.715 -4.149 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.588 10.471 -5.269 1.00 1.00 H new ATOM 0 HE ARG A 66 2.150 9.151 -2.799 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.406 11.082 -5.156 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.145 10.295 -4.843 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.150 8.150 -2.405 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.289 8.650 -3.300 1.00 1.00 H new ATOM 967 N ASP A 67 7.084 12.972 -2.835 1.00 1.00 N ATOM 968 CA ASP A 67 8.277 13.113 -3.663 1.00 1.00 C ATOM 969 C ASP A 67 9.402 12.218 -3.154 1.00 1.00 C ATOM 970 O ASP A 67 10.055 11.523 -3.929 1.00 1.00 O ATOM 971 CB ASP A 67 8.736 14.570 -3.659 1.00 1.00 C ATOM 972 CG ASP A 67 7.837 15.401 -4.570 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.844 15.152 -5.764 1.00 1.00 O ATOM 974 OD2 ASP A 67 7.153 16.272 -4.059 1.00 1.00 O ATOM 0 H ASP A 67 6.730 13.847 -2.447 1.00 1.00 H new ATOM 0 HA ASP A 67 8.029 12.809 -4.680 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.706 14.967 -2.644 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.770 14.635 -3.997 1.00 1.00 H new ATOM 979 N ARG A 68 9.624 12.238 -1.849 1.00 1.00 N ATOM 980 CA ARG A 68 10.670 11.420 -1.250 1.00 1.00 C ATOM 981 C ARG A 68 10.272 9.945 -1.264 1.00 1.00 C ATOM 982 O ARG A 68 11.115 9.065 -1.434 1.00 1.00 O ATOM 983 CB ARG A 68 10.923 11.874 0.188 1.00 1.00 C ATOM 984 CG ARG A 68 11.831 13.108 0.184 1.00 1.00 C ATOM 985 CD ARG A 68 11.261 14.161 -0.769 1.00 1.00 C ATOM 986 NE ARG A 68 11.881 15.458 -0.522 1.00 1.00 N ATOM 987 CZ ARG A 68 11.899 16.396 -1.463 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.355 16.163 -2.626 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.464 17.549 -1.225 1.00 1.00 N ATOM 0 H ARG A 68 9.098 12.808 -1.187 1.00 1.00 H new ATOM 0 HA ARG A 68 11.583 11.540 -1.834 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.978 12.107 0.678 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.388 11.069 0.758 1.00 1.00 H new ATOM 0 HG2 ARG A 68 11.909 13.518 1.191 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.838 12.830 -0.126 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.435 13.858 -1.802 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.182 14.235 -0.636 1.00 1.00 H new ATOM 0 HE ARG A 68 12.307 15.648 0.385 1.00 1.00 H new ATOM 0 HH11 ARG A 68 10.916 15.261 -2.812 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.368 16.883 -3.349 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.892 17.730 -0.317 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.478 18.269 -1.947 1.00 1.00 H new ATOM 1003 N ALA A 69 8.981 9.692 -1.073 1.00 1.00 N ATOM 1004 CA ALA A 69 8.455 8.327 -1.052 1.00 1.00 C ATOM 1005 C ALA A 69 8.569 7.641 -2.417 1.00 1.00 C ATOM 1006 O ALA A 69 8.713 6.418 -2.497 1.00 1.00 O ATOM 1007 CB ALA A 69 6.983 8.361 -0.646 1.00 1.00 C ATOM 0 H ALA A 69 8.276 10.415 -0.930 1.00 1.00 H new ATOM 0 HA ALA A 69 9.048 7.759 -0.336 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.587 7.346 -0.629 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.889 8.804 0.346 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.421 8.958 -1.364 1.00 1.00 H new ATOM 1013 N GLN A 70 8.485 8.418 -3.489 1.00 1.00 N ATOM 1014 CA GLN A 70 8.565 7.849 -4.831 1.00 1.00 C ATOM 1015 C GLN A 70 10.001 7.462 -5.189 1.00 1.00 C ATOM 1016 O GLN A 70 10.227 6.489 -5.907 1.00 1.00 O ATOM 1017 CB GLN A 70 7.975 8.822 -5.862 1.00 1.00 C ATOM 1018 CG GLN A 70 9.053 9.756 -6.414 1.00 1.00 C ATOM 1019 CD GLN A 70 9.794 9.079 -7.561 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.177 8.408 -8.389 1.00 1.00 O ATOM 1021 NE2 GLN A 70 11.087 9.218 -7.663 1.00 1.00 N ATOM 0 H GLN A 70 8.363 9.430 -3.459 1.00 1.00 H new ATOM 0 HA GLN A 70 7.972 6.935 -4.847 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.522 8.261 -6.679 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.181 9.410 -5.400 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.598 10.684 -6.762 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.755 10.022 -5.623 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.596 9.774 -6.976 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.589 8.770 -8.430 1.00 1.00 H new ATOM 1030 N ALA A 71 10.962 8.235 -4.694 1.00 1.00 N ATOM 1031 CA ALA A 71 12.369 7.969 -4.976 1.00 1.00 C ATOM 1032 C ALA A 71 12.833 6.689 -4.280 1.00 1.00 C ATOM 1033 O ALA A 71 13.525 5.864 -4.877 1.00 1.00 O ATOM 1034 CB ALA A 71 13.217 9.148 -4.510 1.00 1.00 C ATOM 0 H ALA A 71 10.794 9.046 -4.099 1.00 1.00 H new ATOM 0 HA ALA A 71 12.487 7.836 -6.051 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.267 8.947 -4.722 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.907 10.050 -5.037 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.084 9.291 -3.438 1.00 1.00 H new ATOM 1040 N VAL A 72 12.444 6.527 -3.019 1.00 1.00 N ATOM 1041 CA VAL A 72 12.823 5.341 -2.259 1.00 1.00 C ATOM 1042 C VAL A 72 12.277 4.092 -2.941 1.00 1.00 C ATOM 1043 O VAL A 72 12.975 3.086 -3.066 1.00 1.00 O ATOM 1044 CB VAL A 72 12.287 5.433 -0.823 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.072 6.479 -0.032 1.00 1.00 C ATOM 1046 CG2 VAL A 72 10.822 5.839 -0.847 1.00 1.00 C ATOM 0 H VAL A 72 11.871 7.196 -2.505 1.00 1.00 H new ATOM 0 HA VAL A 72 13.911 5.281 -2.222 1.00 1.00 H new ATOM 0 HB VAL A 72 12.397 4.458 -0.349 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.682 6.535 0.984 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.125 6.198 -0.002 1.00 1.00 H new ATOM 0 HG13 VAL A 72 12.970 7.452 -0.513 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.445 5.903 0.174 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.721 6.810 -1.333 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.247 5.096 -1.400 1.00 1.00 H new ATOM 1056 N GLU A 73 11.035 4.171 -3.403 1.00 1.00 N ATOM 1057 CA GLU A 73 10.425 3.042 -4.092 1.00 1.00 C ATOM 1058 C GLU A 73 11.132 2.812 -5.423 1.00 1.00 C ATOM 1059 O GLU A 73 11.282 1.675 -5.869 1.00 1.00 O ATOM 1060 CB GLU A 73 8.941 3.318 -4.344 1.00 1.00 C ATOM 1061 CG GLU A 73 8.096 2.470 -3.395 1.00 1.00 C ATOM 1062 CD GLU A 73 8.196 0.996 -3.774 1.00 1.00 C ATOM 1063 OE1 GLU A 73 7.721 0.645 -4.841 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.744 0.240 -2.988 1.00 1.00 O ATOM 0 H GLU A 73 10.438 4.993 -3.315 1.00 1.00 H new ATOM 0 HA GLU A 73 10.521 2.153 -3.468 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.726 4.376 -4.192 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.688 3.086 -5.379 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.435 2.613 -2.369 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.056 2.793 -3.435 1.00 1.00 H new ATOM 1071 N THR A 74 11.565 3.907 -6.044 1.00 1.00 N ATOM 1072 CA THR A 74 12.256 3.832 -7.327 1.00 1.00 C ATOM 1073 C THR A 74 13.658 3.261 -7.144 1.00 1.00 C ATOM 1074 O THR A 74 14.202 2.619 -8.043 1.00 1.00 O ATOM 1075 CB THR A 74 12.349 5.227 -7.950 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.046 5.777 -8.069 1.00 1.00 O ATOM 1077 CG2 THR A 74 12.993 5.129 -9.334 1.00 1.00 C ATOM 0 H THR A 74 11.450 4.853 -5.680 1.00 1.00 H new ATOM 0 HA THR A 74 11.690 3.175 -7.988 1.00 1.00 H new ATOM 0 HB THR A 74 12.958 5.869 -7.314 1.00 1.00 H new ATOM 0 HG1 THR A 74 10.936 6.500 -7.417 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.058 6.123 -9.776 1.00 1.00 H new ATOM 0 HG22 THR A 74 13.994 4.707 -9.241 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.387 4.487 -9.973 1.00 1.00 H new ATOM 1085 N TYR A 75 14.234 3.505 -5.975 1.00 1.00 N ATOM 1086 CA TYR A 75 15.575 3.018 -5.674 1.00 1.00 C ATOM 1087 C TYR A 75 15.597 1.494 -5.603 1.00 1.00 C ATOM 1088 O TYR A 75 16.549 0.854 -6.051 1.00 1.00 O ATOM 1089 CB TYR A 75 16.039 3.604 -4.339 1.00 1.00 C ATOM 1090 CG TYR A 75 17.289 2.896 -3.882 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.194 1.691 -3.174 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.546 3.444 -4.166 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.355 1.034 -2.752 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.708 2.786 -3.743 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.613 1.581 -3.036 1.00 1.00 C ATOM 1096 OH TYR A 75 20.758 0.935 -2.619 1.00 1.00 O ATOM 0 H TYR A 75 13.796 4.035 -5.221 1.00 1.00 H new ATOM 0 HA TYR A 75 16.248 3.333 -6.471 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.232 4.671 -4.447 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.254 3.496 -3.591 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.225 1.269 -2.954 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.619 4.374 -4.711 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.281 0.105 -2.207 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.678 3.208 -3.962 1.00 1.00 H new ATOM 0 HH TYR A 75 21.544 1.449 -2.899 1.00 1.00 H new ATOM 1106 N LEU A 76 14.548 0.920 -5.023 1.00 1.00 N ATOM 1107 CA LEU A 76 14.456 -0.529 -4.879 1.00 1.00 C ATOM 1108 C LEU A 76 14.396 -1.235 -6.233 1.00 1.00 C ATOM 1109 O LEU A 76 15.092 -2.227 -6.448 1.00 1.00 O ATOM 1110 CB LEU A 76 13.206 -0.886 -4.071 1.00 1.00 C ATOM 1111 CG LEU A 76 13.230 -2.373 -3.694 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.371 -2.660 -2.709 1.00 1.00 C ATOM 1113 CD2 LEU A 76 11.896 -2.749 -3.049 1.00 1.00 C ATOM 0 H LEU A 76 13.752 1.434 -4.646 1.00 1.00 H new ATOM 0 HA LEU A 76 15.354 -0.866 -4.362 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.159 -0.275 -3.170 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.311 -0.665 -4.653 1.00 1.00 H new ATOM 0 HG LEU A 76 13.389 -2.964 -4.596 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.373 -3.719 -2.453 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.323 -2.396 -3.169 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.229 -2.068 -1.805 1.00 1.00 H new ATOM 0 HD21 LEU A 76 11.907 -3.805 -2.779 1.00 1.00 H new ATOM 0 HD22 LEU A 76 11.742 -2.147 -2.153 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.086 -2.563 -3.754 1.00 1.00 H new ATOM 1125 N LYS A 77 13.561 -0.739 -7.145 1.00 1.00 N ATOM 1126 CA LYS A 77 13.446 -1.370 -8.459 1.00 1.00 C ATOM 1127 C LYS A 77 14.801 -1.403 -9.149 1.00 1.00 C ATOM 1128 O LYS A 77 15.131 -2.361 -9.849 1.00 1.00 O ATOM 1129 CB LYS A 77 12.451 -0.614 -9.339 1.00 1.00 C ATOM 1130 CG LYS A 77 11.342 -0.025 -8.475 1.00 1.00 C ATOM 1131 CD LYS A 77 10.143 0.330 -9.356 1.00 1.00 C ATOM 1132 CE LYS A 77 10.588 1.300 -10.451 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.035 0.531 -11.646 1.00 1.00 N ATOM 0 H LYS A 77 12.967 0.078 -7.004 1.00 1.00 H new ATOM 0 HA LYS A 77 13.087 -2.389 -8.312 1.00 1.00 H new ATOM 0 HB2 LYS A 77 12.962 0.181 -9.882 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.026 -1.287 -10.084 1.00 1.00 H new ATOM 0 HG2 LYS A 77 11.044 -0.741 -7.709 1.00 1.00 H new ATOM 0 HG3 LYS A 77 11.703 0.864 -7.958 1.00 1.00 H new ATOM 0 HD2 LYS A 77 9.725 -0.573 -9.802 1.00 1.00 H new ATOM 0 HD3 LYS A 77 9.355 0.781 -8.753 1.00 1.00 H new ATOM 0 HE2 LYS A 77 9.766 1.964 -10.719 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.400 1.929 -10.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 12.071 0.579 -11.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.740 -0.462 -11.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.606 0.938 -12.501 1.00 1.00 H new ATOM 1147 N LYS A 78 15.583 -0.352 -8.945 1.00 1.00 N ATOM 1148 CA LYS A 78 16.903 -0.273 -9.550 1.00 1.00 C ATOM 1149 C LYS A 78 17.794 -1.386 -9.011 1.00 1.00 C ATOM 1150 O LYS A 78 18.496 -2.049 -9.768 1.00 1.00 O ATOM 1151 CB LYS A 78 17.530 1.090 -9.252 1.00 1.00 C ATOM 1152 CG LYS A 78 18.837 1.233 -10.034 1.00 1.00 C ATOM 1153 CD LYS A 78 19.353 2.667 -9.905 1.00 1.00 C ATOM 1154 CE LYS A 78 18.931 3.475 -11.135 1.00 1.00 C ATOM 1155 NZ LYS A 78 19.662 2.974 -12.333 1.00 1.00 N ATOM 0 H LYS A 78 15.328 0.451 -8.370 1.00 1.00 H new ATOM 0 HA LYS A 78 16.806 -0.392 -10.629 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.840 1.888 -9.528 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.721 1.189 -8.183 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.580 0.532 -9.653 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.675 0.986 -11.083 1.00 1.00 H new ATOM 0 HD2 LYS A 78 18.956 3.128 -9.001 1.00 1.00 H new ATOM 0 HD3 LYS A 78 20.439 2.667 -9.812 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.855 3.388 -11.289 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.146 4.532 -10.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.798 3.754 -13.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 20.589 2.601 -12.043 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.110 2.217 -12.785 1.00 1.00 H new ATOM 1169 N LEU A 79 17.739 -1.597 -7.700 1.00 1.00 N ATOM 1170 CA LEU A 79 18.533 -2.649 -7.070 1.00 1.00 C ATOM 1171 C LEU A 79 18.013 -4.018 -7.491 1.00 1.00 C ATOM 1172 O LEU A 79 18.786 -4.894 -7.881 1.00 1.00 O ATOM 1173 CB LEU A 79 18.458 -2.519 -5.548 1.00 1.00 C ATOM 1174 CG LEU A 79 19.863 -2.297 -4.983 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.410 -0.960 -5.484 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.799 -2.280 -3.454 1.00 1.00 C ATOM 0 H LEU A 79 17.158 -1.059 -7.057 1.00 1.00 H new ATOM 0 HA LEU A 79 19.570 -2.545 -7.389 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.809 -1.686 -5.275 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.020 -3.419 -5.117 1.00 1.00 H new ATOM 0 HG LEU A 79 20.519 -3.103 -5.312 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.411 -0.802 -5.081 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.455 -0.970 -6.573 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.755 -0.153 -5.155 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.799 -2.122 -3.050 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.143 -1.473 -3.126 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.409 -3.233 -3.096 1.00 1.00 H new ATOM 1188 N ILE A 80 16.698 -4.195 -7.417 1.00 1.00 N ATOM 1189 CA ILE A 80 16.087 -5.462 -7.796 1.00 1.00 C ATOM 1190 C ILE A 80 16.310 -5.742 -9.280 1.00 1.00 C ATOM 1191 O ILE A 80 16.485 -6.891 -9.685 1.00 1.00 O ATOM 1192 CB ILE A 80 14.587 -5.439 -7.490 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.381 -5.604 -5.978 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.903 -6.589 -8.235 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.908 -5.382 -5.621 1.00 1.00 C ATOM 0 H ILE A 80 16.040 -3.483 -7.101 1.00 1.00 H new ATOM 0 HA ILE A 80 16.556 -6.257 -7.216 1.00 1.00 H new ATOM 0 HB ILE A 80 14.155 -4.492 -7.814 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.692 -6.601 -5.667 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.006 -4.892 -5.438 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.834 -6.577 -8.020 1.00 1.00 H new ATOM 0 HG22 ILE A 80 14.059 -6.472 -9.307 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.328 -7.538 -7.908 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.772 -5.501 -4.546 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.610 -4.376 -5.915 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.292 -6.111 -6.148 1.00 1.00 H new ATOM 1207 N ALA A 81 16.301 -4.684 -10.085 1.00 1.00 N ATOM 1208 CA ALA A 81 16.501 -4.826 -11.525 1.00 1.00 C ATOM 1209 C ALA A 81 17.963 -5.126 -11.846 1.00 1.00 C ATOM 1210 O ALA A 81 18.276 -5.661 -12.910 1.00 1.00 O ATOM 1211 CB ALA A 81 16.074 -3.541 -12.239 1.00 1.00 C ATOM 0 H ALA A 81 16.158 -3.725 -9.769 1.00 1.00 H new ATOM 0 HA ALA A 81 15.891 -5.659 -11.873 1.00 1.00 H new ATOM 0 HB1 ALA A 81 16.226 -3.654 -13.312 1.00 1.00 H new ATOM 0 HB2 ALA A 81 15.020 -3.347 -12.040 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.672 -2.706 -11.874 1.00 1.00 H new ATOM 1306 N LYS A 88 15.816 -7.441 1.711 1.00 1.00 N ATOM 1307 CA LYS A 88 14.457 -6.924 1.796 1.00 1.00 C ATOM 1308 C LYS A 88 14.452 -5.568 2.491 1.00 1.00 C ATOM 1309 O LYS A 88 14.805 -5.460 3.666 1.00 1.00 O ATOM 1310 CB LYS A 88 13.570 -7.902 2.570 1.00 1.00 C ATOM 1311 CG LYS A 88 14.124 -8.083 3.985 1.00 1.00 C ATOM 1312 CD LYS A 88 14.023 -9.556 4.385 1.00 1.00 C ATOM 1313 CE LYS A 88 12.570 -10.020 4.265 1.00 1.00 C ATOM 1314 NZ LYS A 88 12.211 -10.844 5.453 1.00 1.00 N ATOM 0 HA LYS A 88 14.065 -6.808 0.785 1.00 1.00 H new ATOM 0 HB2 LYS A 88 12.548 -7.526 2.614 1.00 1.00 H new ATOM 0 HB3 LYS A 88 13.535 -8.863 2.056 1.00 1.00 H new ATOM 0 HG2 LYS A 88 15.162 -7.754 4.026 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.566 -7.465 4.688 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.663 -10.162 3.744 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.376 -9.691 5.408 1.00 1.00 H new ATOM 0 HE2 LYS A 88 11.907 -9.158 4.193 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.437 -10.601 3.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 11.598 -11.630 5.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 13.077 -11.224 5.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 11.708 -10.254 6.146 1.00 1.00 H new ATOM 1328 N ILE A 89 14.058 -4.534 1.756 1.00 1.00 N ATOM 1329 CA ILE A 89 14.016 -3.185 2.308 1.00 1.00 C ATOM 1330 C ILE A 89 13.473 -3.207 3.734 1.00 1.00 C ATOM 1331 O ILE A 89 12.662 -4.062 4.089 1.00 1.00 O ATOM 1332 CB ILE A 89 13.152 -2.283 1.406 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.080 -1.379 0.586 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.195 -1.414 2.241 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.265 -0.574 -0.426 1.00 1.00 C ATOM 0 H ILE A 89 13.765 -4.603 0.782 1.00 1.00 H new ATOM 0 HA ILE A 89 15.028 -2.781 2.342 1.00 1.00 H new ATOM 0 HB ILE A 89 12.550 -2.912 0.750 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.622 -0.704 1.248 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.825 -1.983 0.068 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.599 -0.788 1.577 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.535 -2.057 2.824 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.773 -0.781 2.914 1.00 1.00 H new ATOM 0 HD11 ILE A 89 13.932 0.065 -1.004 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.743 -1.256 -1.098 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.538 0.043 0.101 1.00 1.00 H new ATOM 1347 N THR A 90 13.923 -2.251 4.541 1.00 1.00 N ATOM 1348 CA THR A 90 13.477 -2.152 5.923 1.00 1.00 C ATOM 1349 C THR A 90 13.121 -0.707 6.259 1.00 1.00 C ATOM 1350 O THR A 90 13.419 0.209 5.493 1.00 1.00 O ATOM 1351 CB THR A 90 14.581 -2.639 6.865 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.550 -1.615 7.027 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.245 -3.884 6.273 1.00 1.00 C ATOM 0 H THR A 90 14.595 -1.536 4.261 1.00 1.00 H new ATOM 0 HA THR A 90 12.593 -2.777 6.050 1.00 1.00 H new ATOM 0 HB THR A 90 14.149 -2.886 7.835 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.256 -1.926 7.631 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.031 -4.231 6.944 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.500 -4.670 6.150 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.678 -3.639 5.303 1.00 1.00 H new ATOM 1361 N GLU A 91 12.482 -0.512 7.406 1.00 1.00 N ATOM 1362 CA GLU A 91 12.089 0.825 7.833 1.00 1.00 C ATOM 1363 C GLU A 91 13.296 1.752 7.837 1.00 1.00 C ATOM 1364 O GLU A 91 13.172 2.959 7.628 1.00 1.00 O ATOM 1365 CB GLU A 91 11.480 0.771 9.236 1.00 1.00 C ATOM 1366 CG GLU A 91 12.590 0.641 10.280 1.00 1.00 C ATOM 1367 CD GLU A 91 12.003 0.112 11.584 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.796 0.184 11.734 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.766 -0.365 12.409 1.00 1.00 O ATOM 0 H GLU A 91 12.226 -1.257 8.054 1.00 1.00 H new ATOM 0 HA GLU A 91 11.346 1.209 7.133 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.896 1.672 9.423 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.796 -0.074 9.313 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.366 -0.033 9.919 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.061 1.609 10.448 1.00 1.00 H new ATOM 1376 N ALA A 92 14.460 1.170 8.079 1.00 1.00 N ATOM 1377 CA ALA A 92 15.700 1.936 8.115 1.00 1.00 C ATOM 1378 C ALA A 92 16.233 2.148 6.703 1.00 1.00 C ATOM 1379 O ALA A 92 16.824 3.185 6.401 1.00 1.00 O ATOM 1380 CB ALA A 92 16.747 1.199 8.953 1.00 1.00 C ATOM 0 H ALA A 92 14.574 0.172 8.253 1.00 1.00 H new ATOM 0 HA ALA A 92 15.495 2.907 8.566 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.670 1.779 8.974 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.375 1.071 9.970 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.943 0.221 8.513 1.00 1.00 H new ATOM 1386 N GLU A 93 16.015 1.162 5.842 1.00 1.00 N ATOM 1387 CA GLU A 93 16.470 1.252 4.463 1.00 1.00 C ATOM 1388 C GLU A 93 15.719 2.360 3.732 1.00 1.00 C ATOM 1389 O GLU A 93 16.325 3.194 3.060 1.00 1.00 O ATOM 1390 CB GLU A 93 16.239 -0.082 3.755 1.00 1.00 C ATOM 1391 CG GLU A 93 17.192 -0.203 2.566 1.00 1.00 C ATOM 1392 CD GLU A 93 18.590 -0.566 3.055 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.759 -0.711 4.254 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.472 -0.699 2.221 1.00 1.00 O ATOM 0 H GLU A 93 15.529 0.296 6.074 1.00 1.00 H new ATOM 0 HA GLU A 93 17.535 1.484 4.457 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.401 -0.907 4.449 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.206 -0.150 3.414 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.830 -0.964 1.875 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.223 0.738 2.016 1.00 1.00 H new ATOM 1401 N ILE A 94 14.399 2.369 3.880 1.00 1.00 N ATOM 1402 CA ILE A 94 13.575 3.389 3.239 1.00 1.00 C ATOM 1403 C ILE A 94 13.924 4.759 3.802 1.00 1.00 C ATOM 1404 O ILE A 94 14.100 5.725 3.059 1.00 1.00 O ATOM 1405 CB ILE A 94 12.094 3.095 3.483 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.592 2.105 2.430 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.286 4.393 3.383 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.419 1.302 2.997 1.00 1.00 C ATOM 0 H ILE A 94 13.879 1.688 4.433 1.00 1.00 H new ATOM 0 HA ILE A 94 13.768 3.379 2.166 1.00 1.00 H new ATOM 0 HB ILE A 94 11.971 2.667 4.478 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.280 2.640 1.533 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.398 1.432 2.136 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.231 4.179 3.557 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.641 5.101 4.131 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.410 4.823 2.389 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.063 0.598 2.245 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.746 0.755 3.881 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.611 1.981 3.269 1.00 1.00 H new ATOM 1420 N VAL A 95 14.030 4.830 5.122 1.00 1.00 N ATOM 1421 CA VAL A 95 14.368 6.075 5.792 1.00 1.00 C ATOM 1422 C VAL A 95 15.796 6.480 5.451 1.00 1.00 C ATOM 1423 O VAL A 95 16.089 7.658 5.244 1.00 1.00 O ATOM 1424 CB VAL A 95 14.223 5.912 7.308 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.114 6.930 8.027 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.766 6.148 7.707 1.00 1.00 C ATOM 0 H VAL A 95 13.886 4.038 5.749 1.00 1.00 H new ATOM 0 HA VAL A 95 13.686 6.854 5.451 1.00 1.00 H new ATOM 0 HB VAL A 95 14.525 4.903 7.591 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.007 6.810 9.105 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.154 6.766 7.745 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.816 7.939 7.743 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.661 6.032 8.786 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.469 7.157 7.419 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.128 5.424 7.201 1.00 1.00 H new ATOM 1436 N SER A 96 16.681 5.492 5.406 1.00 1.00 N ATOM 1437 CA SER A 96 18.086 5.747 5.103 1.00 1.00 C ATOM 1438 C SER A 96 18.231 6.362 3.718 1.00 1.00 C ATOM 1439 O SER A 96 18.950 7.346 3.539 1.00 1.00 O ATOM 1440 CB SER A 96 18.884 4.445 5.172 1.00 1.00 C ATOM 1441 OG SER A 96 19.025 4.053 6.531 1.00 1.00 O ATOM 0 H SER A 96 16.454 4.512 5.574 1.00 1.00 H new ATOM 0 HA SER A 96 18.474 6.447 5.842 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.376 3.663 4.607 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.865 4.582 4.717 1.00 1.00 H new ATOM 0 HG SER A 96 18.181 3.672 6.851 1.00 1.00 H new ATOM 1447 N ILE A 97 17.535 5.790 2.746 1.00 1.00 N ATOM 1448 CA ILE A 97 17.589 6.311 1.388 1.00 1.00 C ATOM 1449 C ILE A 97 16.860 7.650 1.340 1.00 1.00 C ATOM 1450 O ILE A 97 17.330 8.605 0.722 1.00 1.00 O ATOM 1451 CB ILE A 97 16.953 5.310 0.414 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.693 3.972 0.501 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.055 5.840 -1.020 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.763 2.845 0.047 1.00 1.00 C ATOM 0 H ILE A 97 16.934 4.975 2.869 1.00 1.00 H new ATOM 0 HA ILE A 97 18.627 6.459 1.090 1.00 1.00 H new ATOM 0 HB ILE A 97 15.905 5.175 0.680 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.585 3.996 -0.125 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.026 3.794 1.524 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.602 5.124 -1.706 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.533 6.794 -1.093 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.104 5.980 -1.283 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.289 1.892 0.109 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.884 2.817 0.691 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.452 3.022 -0.983 1.00 1.00 H new ATOM 1466 N LEU A 98 15.715 7.715 2.018 1.00 1.00 N ATOM 1467 CA LEU A 98 14.932 8.945 2.069 1.00 1.00 C ATOM 1468 C LEU A 98 15.808 10.087 2.566 1.00 1.00 C ATOM 1469 O LEU A 98 15.772 11.196 2.033 1.00 1.00 O ATOM 1470 CB LEU A 98 13.754 8.763 3.029 1.00 1.00 C ATOM 1471 CG LEU A 98 12.881 10.019 3.037 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.410 9.618 2.903 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.081 10.767 4.359 1.00 1.00 C ATOM 0 H LEU A 98 15.312 6.934 2.536 1.00 1.00 H new ATOM 0 HA LEU A 98 14.560 9.175 1.071 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.160 7.900 2.728 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.123 8.561 4.035 1.00 1.00 H new ATOM 0 HG LEU A 98 13.162 10.663 2.204 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.787 10.512 2.909 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.263 9.080 1.967 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.130 8.976 3.738 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.460 11.663 4.368 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.797 10.121 5.189 1.00 1.00 H new ATOM 0 HD23 LEU A 98 14.128 11.051 4.462 1.00 1.00 H new ATOM 1485 N ASN A 99 16.602 9.795 3.589 1.00 1.00 N ATOM 1486 CA ASN A 99 17.503 10.784 4.164 1.00 1.00 C ATOM 1487 C ASN A 99 18.479 11.289 3.106 1.00 1.00 C ATOM 1488 O ASN A 99 18.890 12.449 3.126 1.00 1.00 O ATOM 1489 CB ASN A 99 18.275 10.161 5.331 1.00 1.00 C ATOM 1490 CG ASN A 99 17.816 10.778 6.646 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.016 11.971 6.878 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.207 10.034 7.528 1.00 1.00 N ATOM 0 H ASN A 99 16.640 8.880 4.037 1.00 1.00 H new ATOM 0 HA ASN A 99 16.916 11.627 4.529 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.115 9.083 5.350 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.345 10.322 5.198 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.896 10.440 8.410 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.042 9.046 7.335 1.00 1.00 H new ATOM 1499 N GLY A 100 18.840 10.406 2.181 1.00 1.00 N ATOM 1500 CA GLY A 100 19.764 10.763 1.113 1.00 1.00 C ATOM 1501 C GLY A 100 19.045 11.535 0.011 1.00 1.00 C ATOM 1502 O GLY A 100 19.619 12.426 -0.614 1.00 1.00 O ATOM 0 H GLY A 100 18.508 9.442 2.150 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.577 11.367 1.516 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.213 9.861 0.698 1.00 1.00 H new ATOM 1506 N ILE A 101 17.784 11.186 -0.218 1.00 1.00 N ATOM 1507 CA ILE A 101 16.987 11.848 -1.244 1.00 1.00 C ATOM 1508 C ILE A 101 16.551 13.234 -0.772 1.00 1.00 C ATOM 1509 O ILE A 101 16.670 14.216 -1.505 1.00 1.00 O ATOM 1510 CB ILE A 101 15.754 11.001 -1.570 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.201 9.673 -2.188 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.859 11.747 -2.565 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.210 8.570 -1.807 1.00 1.00 C ATOM 0 H ILE A 101 17.293 10.451 0.291 1.00 1.00 H new ATOM 0 HA ILE A 101 17.597 11.960 -2.140 1.00 1.00 H new ATOM 0 HB ILE A 101 15.194 10.812 -0.654 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.258 9.766 -3.273 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.200 9.415 -1.837 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.983 11.139 -2.793 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.540 12.694 -2.129 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.416 11.939 -3.482 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.530 7.626 -2.248 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.175 8.471 -0.722 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.218 8.827 -2.180 1.00 1.00 H new ATOM 1525 N ALA A 102 16.043 13.302 0.454 1.00 1.00 N ATOM 1526 CA ALA A 102 15.589 14.571 1.013 1.00 1.00 C ATOM 1527 C ALA A 102 16.740 15.571 1.083 1.00 1.00 C ATOM 1528 O ALA A 102 16.525 16.782 1.051 1.00 1.00 O ATOM 1529 CB ALA A 102 15.017 14.350 2.412 1.00 1.00 C ATOM 0 H ALA A 102 15.936 12.500 1.076 1.00 1.00 H new ATOM 0 HA ALA A 102 14.813 14.975 0.363 1.00 1.00 H new ATOM 0 HB1 ALA A 102 14.680 15.302 2.822 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.174 13.661 2.356 1.00 1.00 H new ATOM 0 HB3 ALA A 102 15.788 13.929 3.058 1.00 1.00 H new ATOM 1535 N LYS A 103 17.961 15.054 1.178 1.00 1.00 N ATOM 1536 CA LYS A 103 19.137 15.913 1.254 1.00 1.00 C ATOM 1537 C LYS A 103 19.467 16.491 -0.120 1.00 1.00 C ATOM 1538 O LYS A 103 19.949 17.618 -0.229 1.00 1.00 O ATOM 1539 CB LYS A 103 20.334 15.115 1.774 1.00 1.00 C ATOM 1540 CG LYS A 103 21.591 15.986 1.721 1.00 1.00 C ATOM 1541 CD LYS A 103 22.679 15.366 2.600 1.00 1.00 C ATOM 1542 CE LYS A 103 23.942 16.228 2.532 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.063 15.420 1.973 1.00 1.00 N ATOM 0 H LYS A 103 18.161 14.054 1.204 1.00 1.00 H new ATOM 0 HA LYS A 103 18.922 16.733 1.939 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.149 14.787 2.797 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.475 14.217 1.172 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.944 16.072 0.693 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.362 16.995 2.065 1.00 1.00 H new ATOM 0 HD2 LYS A 103 22.331 15.292 3.630 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.899 14.352 2.265 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.764 17.104 1.909 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.202 16.592 3.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.922 16.004 1.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.237 14.597 2.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.813 15.094 1.017 1.00 1.00 H new ATOM 1557 N GLN A 104 19.207 15.709 -1.163 1.00 1.00 N ATOM 1558 CA GLN A 104 19.482 16.155 -2.525 1.00 1.00 C ATOM 1559 C GLN A 104 18.367 17.069 -3.026 1.00 1.00 C ATOM 1560 O GLN A 104 18.615 18.212 -3.412 1.00 1.00 O ATOM 1561 CB GLN A 104 19.609 14.946 -3.453 1.00 1.00 C ATOM 1562 CG GLN A 104 20.762 14.058 -2.980 1.00 1.00 C ATOM 1563 CD GLN A 104 21.924 14.146 -3.965 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.749 13.900 -5.158 1.00 1.00 O ATOM 1565 NE2 GLN A 104 23.108 14.484 -3.532 1.00 1.00 N ATOM 0 H GLN A 104 18.810 14.772 -1.093 1.00 1.00 H new ATOM 0 HA GLN A 104 20.419 16.712 -2.523 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.678 14.379 -3.459 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.787 15.277 -4.476 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.090 14.371 -1.989 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.425 13.025 -2.893 1.00 1.00 H new ATOM 0 HE21 GLN A 104 23.250 14.687 -2.543 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.891 14.545 -4.183 1.00 1.00 H new