USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 983 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 85 MET CE :methyl -143:sc= -1.3 (180deg=-1.72!) USER MOD Set 1.2: A 112 MET CE :methyl -129:sc= -1.64 (180deg=-3.7!) USER MOD Set 2.1: A 74 THR OG1 : rot 71:sc= -2.26! USER MOD Set 2.2: A 104 LYS NZ :NH3+ -174:sc= -1.55 (180deg=-1.67) USER MOD Set 3.1: A 54 ASN : amide:sc= -5.93! C(o=-6.1!,f=-18!) USER MOD Set 3.2: A 58 ASN : amide:sc= -0.142 K(o=-6.1,f=-11!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.01 K(o=-1,f=-11!) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 0.88 (180deg=-0.26) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.352 USER MOD Single : A 29 ASN : amide:sc= 0.25 K(o=0.25,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.21! C(o=-2.2!,f=-1.7!) USER MOD Single : A 47 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1) USER MOD Single : A 57 SER OG : rot 67:sc= 1.22 USER MOD Single : A 64 THR OG1 : rot 113:sc= 0.0461 USER MOD Single : A 71 GLN : amide:sc= -3.59! C(o=-3.6!,f=-2.2!) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.182) USER MOD Single : A 90 GLN : amide:sc= 1.09 K(o=1.1,f=0.16) USER MOD Single : A 95 SER OG : rot 90:sc= 0.371 USER MOD Single : A 100 SER OG : rot -35:sc= 1.25 USER MOD Single : A 109 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-10!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -14.258 -4.029 6.321 1.00 74.41 N ATOM 51 CA ILE A 4 -13.581 -4.405 5.064 1.00 53.41 C ATOM 52 C ILE A 4 -13.382 -3.233 4.098 1.00 10.42 C ATOM 53 O ILE A 4 -13.091 -3.445 2.919 1.00 13.51 O ATOM 54 CB ILE A 4 -14.299 -5.561 4.312 1.00 25.33 C ATOM 55 CG1 ILE A 4 -15.538 -5.069 3.555 1.00 42.21 C ATOM 56 CG2 ILE A 4 -14.685 -6.671 5.284 1.00 15.20 C ATOM 57 CD1 ILE A 4 -16.020 -6.038 2.506 1.00 43.01 C ATOM 0 HA ILE A 4 -12.599 -4.748 5.391 1.00 53.41 H new ATOM 0 HB ILE A 4 -13.597 -5.955 3.577 1.00 25.33 H new ATOM 0 HG12 ILE A 4 -16.342 -4.887 4.268 1.00 42.21 H new ATOM 0 HG13 ILE A 4 -15.310 -4.115 3.081 1.00 42.21 H new ATOM 0 HG21 ILE A 4 -15.187 -7.472 4.741 1.00 15.20 H new ATOM 0 HG22 ILE A 4 -13.788 -7.063 5.763 1.00 15.20 H new ATOM 0 HG23 ILE A 4 -15.357 -6.272 6.044 1.00 15.20 H new ATOM 0 HD11 ILE A 4 -16.899 -5.628 2.009 1.00 43.01 H new ATOM 0 HD12 ILE A 4 -15.231 -6.202 1.772 1.00 43.01 H new ATOM 0 HD13 ILE A 4 -16.279 -6.986 2.978 1.00 43.01 H new ATOM 69 N ASP A 5 -13.492 -2.008 4.611 1.00 4.13 N ATOM 70 CA ASP A 5 -13.426 -0.797 3.784 1.00 13.50 C ATOM 71 C ASP A 5 -14.613 -0.774 2.807 1.00 14.03 C ATOM 72 O ASP A 5 -15.541 -1.575 2.935 1.00 1.54 O ATOM 73 CB ASP A 5 -12.077 -0.709 3.042 1.00 50.04 C ATOM 74 CG ASP A 5 -11.818 0.656 2.429 1.00 31.35 C ATOM 75 OD1 ASP A 5 -11.382 1.570 3.159 1.00 43.40 O ATOM 76 OD2 ASP A 5 -12.063 0.822 1.216 1.00 33.14 O ATOM 0 H ASP A 5 -13.629 -1.824 5.605 1.00 4.13 H new ATOM 0 HA ASP A 5 -13.493 0.080 4.428 1.00 13.50 H new ATOM 0 HB2 ASP A 5 -11.272 -0.947 3.737 1.00 50.04 H new ATOM 0 HB3 ASP A 5 -12.053 -1.464 2.256 1.00 50.04 H new ATOM 81 N ASP A 6 -14.605 0.140 1.848 1.00 32.53 N ATOM 82 CA ASP A 6 -15.743 0.296 0.946 1.00 21.50 C ATOM 83 C ASP A 6 -15.325 0.956 -0.374 1.00 43.23 C ATOM 84 O ASP A 6 -16.173 1.275 -1.209 1.00 25.24 O ATOM 85 CB ASP A 6 -16.830 1.131 1.642 1.00 32.33 C ATOM 86 CG ASP A 6 -18.167 1.103 0.922 1.00 24.33 C ATOM 87 OD1 ASP A 6 -18.847 0.053 0.961 1.00 11.55 O ATOM 88 OD2 ASP A 6 -18.559 2.138 0.341 1.00 2.50 O ATOM 0 H ASP A 6 -13.831 0.781 1.673 1.00 32.53 H new ATOM 0 HA ASP A 6 -16.136 -0.692 0.707 1.00 21.50 H new ATOM 0 HB2 ASP A 6 -16.966 0.762 2.659 1.00 32.33 H new ATOM 0 HB3 ASP A 6 -16.490 2.164 1.720 1.00 32.33 H new ATOM 93 N TYR A 7 -14.013 1.124 -0.570 1.00 62.52 N ATOM 94 CA TYR A 7 -13.473 1.841 -1.728 1.00 70.44 C ATOM 95 C TYR A 7 -14.023 3.268 -1.769 1.00 22.43 C ATOM 96 O TYR A 7 -14.753 3.640 -2.689 1.00 41.23 O ATOM 97 CB TYR A 7 -13.795 1.105 -3.039 1.00 0.25 C ATOM 98 CG TYR A 7 -13.224 -0.294 -3.122 1.00 73.53 C ATOM 99 CD1 TYR A 7 -11.950 -0.515 -3.626 1.00 34.32 C ATOM 100 CD2 TYR A 7 -13.962 -1.395 -2.699 1.00 43.13 C ATOM 101 CE1 TYR A 7 -11.426 -1.791 -3.708 1.00 14.51 C ATOM 102 CE2 TYR A 7 -13.445 -2.675 -2.778 1.00 32.35 C ATOM 103 CZ TYR A 7 -12.177 -2.867 -3.283 1.00 62.00 C ATOM 104 OH TYR A 7 -11.657 -4.138 -3.363 1.00 34.31 O ATOM 0 H TYR A 7 -13.300 0.769 0.066 1.00 62.52 H new ATOM 0 HA TYR A 7 -12.389 1.882 -1.625 1.00 70.44 H new ATOM 0 HB2 TYR A 7 -14.877 1.051 -3.156 1.00 0.25 H new ATOM 0 HB3 TYR A 7 -13.413 1.691 -3.875 1.00 0.25 H new ATOM 0 HD1 TYR A 7 -11.358 0.324 -3.960 1.00 34.32 H new ATOM 0 HD2 TYR A 7 -14.956 -1.247 -2.302 1.00 43.13 H new ATOM 0 HE1 TYR A 7 -10.433 -1.945 -4.103 1.00 14.51 H new ATOM 0 HE2 TYR A 7 -14.031 -3.519 -2.446 1.00 32.35 H new ATOM 0 HH TYR A 7 -12.313 -4.782 -3.022 1.00 34.31 H new ATOM 114 N PRO A 8 -13.677 4.092 -0.761 1.00 44.42 N ATOM 115 CA PRO A 8 -14.264 5.418 -0.582 1.00 12.15 C ATOM 116 C PRO A 8 -13.503 6.535 -1.299 1.00 13.43 C ATOM 117 O PRO A 8 -13.895 7.700 -1.234 1.00 44.44 O ATOM 118 CB PRO A 8 -14.180 5.606 0.931 1.00 30.43 C ATOM 119 CG PRO A 8 -12.923 4.907 1.328 1.00 14.30 C ATOM 120 CD PRO A 8 -12.695 3.791 0.298 1.00 21.24 C ATOM 0 HA PRO A 8 -15.268 5.475 -1.003 1.00 12.15 H new ATOM 0 HB2 PRO A 8 -14.147 6.662 1.198 1.00 30.43 H new ATOM 0 HB3 PRO A 8 -15.047 5.177 1.433 1.00 30.43 H new ATOM 0 HG2 PRO A 8 -12.082 5.600 1.340 1.00 14.30 H new ATOM 0 HG3 PRO A 8 -13.010 4.494 2.333 1.00 14.30 H new ATOM 0 HD2 PRO A 8 -11.675 3.802 -0.086 1.00 21.24 H new ATOM 0 HD3 PRO A 8 -12.862 2.805 0.731 1.00 21.24 H new ATOM 128 N GLN A 9 -12.425 6.190 -1.985 1.00 61.42 N ATOM 129 CA GLN A 9 -11.601 7.194 -2.642 1.00 60.23 C ATOM 130 C GLN A 9 -11.088 6.690 -3.984 1.00 14.55 C ATOM 131 O GLN A 9 -10.660 5.543 -4.098 1.00 13.23 O ATOM 132 CB GLN A 9 -10.429 7.594 -1.737 1.00 22.13 C ATOM 133 CG GLN A 9 -9.428 8.537 -2.395 1.00 2.14 C ATOM 134 CD GLN A 9 -8.112 7.857 -2.742 1.00 73.33 C ATOM 135 OE1 GLN A 9 -7.062 8.495 -2.777 1.00 51.21 O ATOM 136 NE2 GLN A 9 -8.158 6.559 -3.000 1.00 2.55 N ATOM 0 H GLN A 9 -12.101 5.230 -2.101 1.00 61.42 H new ATOM 0 HA GLN A 9 -12.219 8.072 -2.827 1.00 60.23 H new ATOM 0 HB2 GLN A 9 -10.823 8.069 -0.839 1.00 22.13 H new ATOM 0 HB3 GLN A 9 -9.907 6.692 -1.417 1.00 22.13 H new ATOM 0 HG2 GLN A 9 -9.868 8.950 -3.303 1.00 2.14 H new ATOM 0 HG3 GLN A 9 -9.233 9.375 -1.726 1.00 2.14 H new ATOM 0 HE21 GLN A 9 -9.048 6.063 -2.961 1.00 2.55 H new ATOM 0 HE22 GLN A 9 -7.303 6.056 -3.237 1.00 2.55 H new ATOM 145 N ALA A 10 -11.120 7.565 -4.982 1.00 71.41 N ATOM 146 CA ALA A 10 -10.616 7.255 -6.305 1.00 24.25 C ATOM 147 C ALA A 10 -10.142 8.537 -6.973 1.00 63.10 C ATOM 148 O ALA A 10 -10.925 9.252 -7.598 1.00 51.53 O ATOM 149 CB ALA A 10 -11.687 6.573 -7.145 1.00 55.24 C ATOM 0 H ALA A 10 -11.497 8.508 -4.892 1.00 71.41 H new ATOM 0 HA ALA A 10 -9.777 6.565 -6.217 1.00 24.25 H new ATOM 0 HB1 ALA A 10 -11.286 6.350 -8.134 1.00 55.24 H new ATOM 0 HB2 ALA A 10 -11.994 5.646 -6.660 1.00 55.24 H new ATOM 0 HB3 ALA A 10 -12.548 7.234 -7.243 1.00 55.24 H new ATOM 155 N LYS A 11 -8.871 8.855 -6.788 1.00 23.32 N ATOM 156 CA LYS A 11 -8.321 10.083 -7.332 1.00 63.12 C ATOM 157 C LYS A 11 -7.407 9.797 -8.510 1.00 62.14 C ATOM 158 O LYS A 11 -6.902 8.688 -8.667 1.00 15.51 O ATOM 159 CB LYS A 11 -7.588 10.882 -6.251 1.00 64.23 C ATOM 160 CG LYS A 11 -8.518 11.407 -5.165 1.00 75.54 C ATOM 161 CD LYS A 11 -7.800 12.343 -4.208 1.00 21.41 C ATOM 162 CE LYS A 11 -6.648 11.650 -3.504 1.00 51.54 C ATOM 163 NZ LYS A 11 -5.952 12.551 -2.547 1.00 54.43 N ATOM 0 H LYS A 11 -8.205 8.283 -6.268 1.00 23.32 H new ATOM 0 HA LYS A 11 -9.152 10.690 -7.693 1.00 63.12 H new ATOM 0 HB2 LYS A 11 -6.826 10.251 -5.795 1.00 64.23 H new ATOM 0 HB3 LYS A 11 -7.071 11.721 -6.716 1.00 64.23 H new ATOM 0 HG2 LYS A 11 -9.355 11.931 -5.626 1.00 75.54 H new ATOM 0 HG3 LYS A 11 -8.935 10.568 -4.608 1.00 75.54 H new ATOM 0 HD2 LYS A 11 -7.425 13.207 -4.757 1.00 21.41 H new ATOM 0 HD3 LYS A 11 -8.506 12.718 -3.467 1.00 21.41 H new ATOM 0 HE2 LYS A 11 -7.023 10.776 -2.971 1.00 51.54 H new ATOM 0 HE3 LYS A 11 -5.935 11.290 -4.246 1.00 51.54 H new ATOM 0 HZ1 LYS A 11 -4.924 12.415 -2.627 1.00 54.43 H new ATOM 0 HZ2 LYS A 11 -6.188 13.540 -2.767 1.00 54.43 H new ATOM 0 HZ3 LYS A 11 -6.256 12.329 -1.578 1.00 54.43 H new ATOM 177 N ARG A 12 -7.218 10.810 -9.336 1.00 52.15 N ATOM 178 CA ARG A 12 -6.478 10.668 -10.588 1.00 3.43 C ATOM 179 C ARG A 12 -5.067 11.238 -10.466 1.00 23.32 C ATOM 180 O ARG A 12 -4.076 10.511 -10.503 1.00 11.44 O ATOM 181 CB ARG A 12 -7.202 11.418 -11.709 1.00 11.21 C ATOM 182 CG ARG A 12 -8.708 11.497 -11.528 1.00 1.31 C ATOM 183 CD ARG A 12 -9.439 10.351 -12.215 1.00 52.14 C ATOM 184 NE ARG A 12 -9.146 9.042 -11.628 1.00 21.22 N ATOM 185 CZ ARG A 12 -10.087 8.180 -11.244 1.00 24.42 C ATOM 186 NH1 ARG A 12 -11.373 8.516 -11.307 1.00 43.44 N ATOM 187 NH2 ARG A 12 -9.736 6.984 -10.788 1.00 42.34 N ATOM 0 H ARG A 12 -7.569 11.752 -9.164 1.00 52.15 H new ATOM 0 HA ARG A 12 -6.417 9.604 -10.815 1.00 3.43 H new ATOM 0 HB2 ARG A 12 -6.801 12.429 -11.773 1.00 11.21 H new ATOM 0 HB3 ARG A 12 -6.986 10.928 -12.658 1.00 11.21 H new ATOM 0 HG2 ARG A 12 -8.944 11.488 -10.464 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -9.069 12.445 -11.927 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -10.513 10.532 -12.164 1.00 52.14 H new ATOM 0 HD3 ARG A 12 -9.168 10.337 -13.271 1.00 52.14 H new ATOM 0 HE ARG A 12 -8.169 8.776 -11.506 1.00 21.22 H new ATOM 0 HH11 ARG A 12 -11.643 9.438 -11.651 1.00 43.44 H new ATOM 0 HH12 ARG A 12 -12.089 7.852 -11.012 1.00 43.44 H new ATOM 0 HH21 ARG A 12 -8.750 6.728 -10.733 1.00 42.34 H new ATOM 0 HH22 ARG A 12 -10.452 6.320 -10.493 1.00 42.34 H new ATOM 201 N VAL A 13 -4.998 12.552 -10.316 1.00 23.31 N ATOM 202 CA VAL A 13 -3.732 13.273 -10.361 1.00 4.34 C ATOM 203 C VAL A 13 -3.294 13.813 -8.988 1.00 75.41 C ATOM 204 O VAL A 13 -2.126 13.678 -8.637 1.00 71.22 O ATOM 205 CB VAL A 13 -3.803 14.445 -11.366 1.00 0.21 C ATOM 206 CG1 VAL A 13 -2.442 15.100 -11.535 1.00 13.15 C ATOM 207 CG2 VAL A 13 -4.341 13.971 -12.707 1.00 72.13 C ATOM 0 H VAL A 13 -5.812 13.147 -10.160 1.00 23.31 H new ATOM 0 HA VAL A 13 -2.987 12.546 -10.684 1.00 4.34 H new ATOM 0 HB VAL A 13 -4.489 15.191 -10.966 1.00 0.21 H new ATOM 0 HG11 VAL A 13 -2.519 15.921 -12.247 1.00 13.15 H new ATOM 0 HG12 VAL A 13 -2.101 15.484 -10.574 1.00 13.15 H new ATOM 0 HG13 VAL A 13 -1.728 14.365 -11.906 1.00 13.15 H new ATOM 0 HG21 VAL A 13 -4.383 14.811 -13.400 1.00 72.13 H new ATOM 0 HG22 VAL A 13 -3.684 13.200 -13.111 1.00 72.13 H new ATOM 0 HG23 VAL A 13 -5.342 13.561 -12.573 1.00 72.13 H new ATOM 217 N PRO A 14 -4.204 14.442 -8.190 1.00 2.12 N ATOM 218 CA PRO A 14 -3.845 15.060 -6.889 1.00 0.24 C ATOM 219 C PRO A 14 -3.376 14.071 -5.808 1.00 33.23 C ATOM 220 O PRO A 14 -3.558 14.323 -4.616 1.00 14.41 O ATOM 221 CB PRO A 14 -5.144 15.749 -6.428 1.00 44.21 C ATOM 222 CG PRO A 14 -5.977 15.871 -7.651 1.00 44.13 C ATOM 223 CD PRO A 14 -5.628 14.656 -8.499 1.00 3.02 C ATOM 0 HA PRO A 14 -2.994 15.728 -7.026 1.00 0.24 H new ATOM 0 HB2 PRO A 14 -5.651 15.161 -5.663 1.00 44.21 H new ATOM 0 HB3 PRO A 14 -4.938 16.727 -5.993 1.00 44.21 H new ATOM 0 HG2 PRO A 14 -7.038 15.886 -7.404 1.00 44.13 H new ATOM 0 HG3 PRO A 14 -5.761 16.797 -8.183 1.00 44.13 H new ATOM 0 HD2 PRO A 14 -6.234 13.790 -8.234 1.00 3.02 H new ATOM 0 HD3 PRO A 14 -5.788 14.844 -9.561 1.00 3.02 H new ATOM 231 N GLY A 15 -2.762 12.970 -6.217 1.00 22.13 N ATOM 232 CA GLY A 15 -2.148 12.063 -5.266 1.00 72.30 C ATOM 233 C GLY A 15 -3.139 11.103 -4.653 1.00 52.41 C ATOM 234 O GLY A 15 -3.691 11.366 -3.582 1.00 64.21 O ATOM 0 H GLY A 15 -2.677 12.687 -7.193 1.00 22.13 H new ATOM 0 HA2 GLY A 15 -1.362 11.497 -5.765 1.00 72.30 H new ATOM 0 HA3 GLY A 15 -1.671 12.641 -4.475 1.00 72.30 H new ATOM 238 N LEU A 16 -3.353 9.987 -5.320 1.00 52.02 N ATOM 239 CA LEU A 16 -4.322 9.002 -4.871 1.00 62.45 C ATOM 240 C LEU A 16 -3.650 7.987 -3.971 1.00 74.43 C ATOM 241 O LEU A 16 -2.424 7.886 -3.940 1.00 50.11 O ATOM 242 CB LEU A 16 -4.971 8.283 -6.057 1.00 4.34 C ATOM 243 CG LEU A 16 -4.004 7.516 -6.959 1.00 34.44 C ATOM 244 CD1 LEU A 16 -4.620 6.204 -7.412 1.00 62.32 C ATOM 245 CD2 LEU A 16 -3.618 8.358 -8.163 1.00 62.02 C ATOM 0 H LEU A 16 -2.866 9.737 -6.181 1.00 52.02 H new ATOM 0 HA LEU A 16 -5.101 9.526 -4.317 1.00 62.45 H new ATOM 0 HB2 LEU A 16 -5.717 7.586 -5.675 1.00 4.34 H new ATOM 0 HB3 LEU A 16 -5.501 9.019 -6.662 1.00 4.34 H new ATOM 0 HG LEU A 16 -3.104 7.296 -6.384 1.00 34.44 H new ATOM 0 HD11 LEU A 16 -3.916 5.674 -8.053 1.00 62.32 H new ATOM 0 HD12 LEU A 16 -4.851 5.591 -6.541 1.00 62.32 H new ATOM 0 HD13 LEU A 16 -5.536 6.405 -7.968 1.00 62.32 H new ATOM 0 HD21 LEU A 16 -2.929 7.796 -8.794 1.00 62.02 H new ATOM 0 HD22 LEU A 16 -4.512 8.608 -8.734 1.00 62.02 H new ATOM 0 HD23 LEU A 16 -3.135 9.275 -7.826 1.00 62.02 H new ATOM 257 N VAL A 17 -4.438 7.231 -3.242 1.00 21.44 N ATOM 258 CA VAL A 17 -3.885 6.237 -2.363 1.00 71.53 C ATOM 259 C VAL A 17 -4.717 4.962 -2.366 1.00 11.11 C ATOM 260 O VAL A 17 -5.938 5.001 -2.515 1.00 44.41 O ATOM 261 CB VAL A 17 -3.755 6.781 -0.927 1.00 63.14 C ATOM 262 CG1 VAL A 17 -5.117 7.096 -0.325 1.00 33.53 C ATOM 263 CG2 VAL A 17 -2.990 5.804 -0.063 1.00 64.15 C ATOM 0 H VAL A 17 -5.456 7.287 -3.242 1.00 21.44 H new ATOM 0 HA VAL A 17 -2.890 5.994 -2.737 1.00 71.53 H new ATOM 0 HB VAL A 17 -3.196 7.716 -0.968 1.00 63.14 H new ATOM 0 HG11 VAL A 17 -4.988 7.477 0.688 1.00 33.53 H new ATOM 0 HG12 VAL A 17 -5.619 7.847 -0.934 1.00 33.53 H new ATOM 0 HG13 VAL A 17 -5.721 6.189 -0.297 1.00 33.53 H new ATOM 0 HG21 VAL A 17 -2.906 6.201 0.949 1.00 64.15 H new ATOM 0 HG22 VAL A 17 -3.519 4.851 -0.036 1.00 64.15 H new ATOM 0 HG23 VAL A 17 -1.993 5.654 -0.478 1.00 64.15 H new ATOM 273 N VAL A 18 -4.039 3.836 -2.241 1.00 62.12 N ATOM 274 CA VAL A 18 -4.701 2.560 -2.076 1.00 2.14 C ATOM 275 C VAL A 18 -4.544 2.105 -0.636 1.00 71.22 C ATOM 276 O VAL A 18 -3.430 2.010 -0.119 1.00 54.35 O ATOM 277 CB VAL A 18 -4.133 1.488 -3.033 1.00 70.11 C ATOM 278 CG1 VAL A 18 -4.833 0.153 -2.825 1.00 71.15 C ATOM 279 CG2 VAL A 18 -4.265 1.940 -4.478 1.00 65.15 C ATOM 0 H VAL A 18 -3.020 3.782 -2.251 1.00 62.12 H new ATOM 0 HA VAL A 18 -5.756 2.687 -2.320 1.00 2.14 H new ATOM 0 HB VAL A 18 -3.075 1.356 -2.808 1.00 70.11 H new ATOM 0 HG11 VAL A 18 -4.417 -0.586 -3.509 1.00 71.15 H new ATOM 0 HG12 VAL A 18 -4.685 -0.179 -1.798 1.00 71.15 H new ATOM 0 HG13 VAL A 18 -5.899 0.267 -3.019 1.00 71.15 H new ATOM 0 HG21 VAL A 18 -3.860 1.173 -5.138 1.00 65.15 H new ATOM 0 HG22 VAL A 18 -5.317 2.103 -4.714 1.00 65.15 H new ATOM 0 HG23 VAL A 18 -3.713 2.869 -4.620 1.00 65.15 H new ATOM 289 N TYR A 19 -5.660 1.853 0.016 1.00 71.54 N ATOM 290 CA TYR A 19 -5.649 1.498 1.422 1.00 2.31 C ATOM 291 C TYR A 19 -5.234 0.049 1.619 1.00 12.23 C ATOM 292 O TYR A 19 -5.526 -0.815 0.789 1.00 51.01 O ATOM 293 CB TYR A 19 -7.036 1.698 2.036 1.00 4.42 C ATOM 294 CG TYR A 19 -7.617 3.084 1.848 1.00 63.43 C ATOM 295 CD1 TYR A 19 -8.270 3.434 0.671 1.00 44.45 C ATOM 296 CD2 TYR A 19 -7.515 4.042 2.849 1.00 50.13 C ATOM 297 CE1 TYR A 19 -8.806 4.694 0.500 1.00 2.03 C ATOM 298 CE2 TYR A 19 -8.050 5.306 2.684 1.00 40.33 C ATOM 299 CZ TYR A 19 -8.692 5.627 1.507 1.00 35.52 C ATOM 300 OH TYR A 19 -9.221 6.886 1.337 1.00 1.53 O ATOM 0 H TYR A 19 -6.588 1.887 -0.405 1.00 71.54 H new ATOM 0 HA TYR A 19 -4.927 2.148 1.916 1.00 2.31 H new ATOM 0 HB2 TYR A 19 -7.720 0.970 1.600 1.00 4.42 H new ATOM 0 HB3 TYR A 19 -6.980 1.484 3.103 1.00 4.42 H new ATOM 0 HD1 TYR A 19 -8.359 2.707 -0.123 1.00 44.45 H new ATOM 0 HD2 TYR A 19 -7.010 3.795 3.771 1.00 50.13 H new ATOM 0 HE1 TYR A 19 -9.313 4.948 -0.419 1.00 2.03 H new ATOM 0 HE2 TYR A 19 -7.965 6.038 3.473 1.00 40.33 H new ATOM 0 HH TYR A 19 -9.056 7.422 2.141 1.00 1.53 H new ATOM 310 N ARG A 20 -4.531 -0.209 2.711 1.00 34.13 N ATOM 311 CA ARG A 20 -4.320 -1.569 3.171 1.00 3.23 C ATOM 312 C ARG A 20 -5.645 -2.090 3.706 1.00 32.15 C ATOM 313 O ARG A 20 -5.982 -1.863 4.866 1.00 21.21 O ATOM 314 CB ARG A 20 -3.232 -1.612 4.254 1.00 43.24 C ATOM 315 CG ARG A 20 -1.846 -1.257 3.738 1.00 23.34 C ATOM 316 CD ARG A 20 -1.079 -2.489 3.279 1.00 43.22 C ATOM 317 NE ARG A 20 -0.537 -3.248 4.408 1.00 44.52 N ATOM 318 CZ ARG A 20 -0.456 -4.579 4.459 1.00 52.40 C ATOM 319 NH1 ARG A 20 -0.869 -5.318 3.433 1.00 64.30 N ATOM 320 NH2 ARG A 20 0.045 -5.167 5.536 1.00 32.11 N ATOM 0 H ARG A 20 -4.098 0.507 3.294 1.00 34.13 H new ATOM 0 HA ARG A 20 -3.978 -2.198 2.349 1.00 3.23 H new ATOM 0 HB2 ARG A 20 -3.500 -0.923 5.055 1.00 43.24 H new ATOM 0 HB3 ARG A 20 -3.204 -2.611 4.690 1.00 43.24 H new ATOM 0 HG2 ARG A 20 -1.936 -0.555 2.909 1.00 23.34 H new ATOM 0 HG3 ARG A 20 -1.284 -0.751 4.524 1.00 23.34 H new ATOM 0 HD2 ARG A 20 -1.739 -3.130 2.694 1.00 43.22 H new ATOM 0 HD3 ARG A 20 -0.264 -2.185 2.622 1.00 43.22 H new ATOM 0 HE ARG A 20 -0.197 -2.722 5.213 1.00 44.52 H new ATOM 0 HH11 ARG A 20 -1.250 -4.868 2.601 1.00 64.30 H new ATOM 0 HH12 ARG A 20 -0.804 -6.335 3.478 1.00 64.30 H new ATOM 0 HH21 ARG A 20 0.367 -4.602 6.322 1.00 32.11 H new ATOM 0 HH22 ARG A 20 0.109 -6.184 5.579 1.00 32.11 H new ATOM 334 N TYR A 21 -6.405 -2.727 2.812 1.00 75.42 N ATOM 335 CA TYR A 21 -7.783 -3.154 3.075 1.00 42.10 C ATOM 336 C TYR A 21 -7.945 -3.755 4.464 1.00 45.32 C ATOM 337 O TYR A 21 -7.277 -4.727 4.809 1.00 0.33 O ATOM 338 CB TYR A 21 -8.219 -4.168 2.015 1.00 44.02 C ATOM 339 CG TYR A 21 -8.040 -3.665 0.600 1.00 63.25 C ATOM 340 CD1 TYR A 21 -9.047 -2.957 -0.043 1.00 61.22 C ATOM 341 CD2 TYR A 21 -6.856 -3.894 -0.090 1.00 12.15 C ATOM 342 CE1 TYR A 21 -8.879 -2.494 -1.336 1.00 24.31 C ATOM 343 CE2 TYR A 21 -6.682 -3.434 -1.379 1.00 74.03 C ATOM 344 CZ TYR A 21 -7.694 -2.734 -1.996 1.00 52.21 C ATOM 345 OH TYR A 21 -7.519 -2.280 -3.284 1.00 2.42 O ATOM 0 H TYR A 21 -6.078 -2.964 1.875 1.00 75.42 H new ATOM 0 HA TYR A 21 -8.417 -2.268 3.028 1.00 42.10 H new ATOM 0 HB2 TYR A 21 -7.646 -5.086 2.142 1.00 44.02 H new ATOM 0 HB3 TYR A 21 -9.267 -4.422 2.174 1.00 44.02 H new ATOM 0 HD1 TYR A 21 -9.975 -2.765 0.474 1.00 61.22 H new ATOM 0 HD2 TYR A 21 -6.059 -4.441 0.391 1.00 12.15 H new ATOM 0 HE1 TYR A 21 -9.672 -1.948 -1.825 1.00 24.31 H new ATOM 0 HE2 TYR A 21 -5.756 -3.622 -1.902 1.00 74.03 H new ATOM 0 HH TYR A 21 -6.627 -2.533 -3.602 1.00 2.42 H new ATOM 355 N ASP A 22 -8.850 -3.171 5.242 1.00 23.13 N ATOM 356 CA ASP A 22 -9.063 -3.574 6.630 1.00 41.02 C ATOM 357 C ASP A 22 -9.935 -4.828 6.703 1.00 70.35 C ATOM 358 O ASP A 22 -10.909 -4.889 7.458 1.00 12.53 O ATOM 359 CB ASP A 22 -9.718 -2.428 7.408 1.00 1.42 C ATOM 360 CG ASP A 22 -9.147 -2.257 8.804 1.00 44.14 C ATOM 361 OD1 ASP A 22 -9.467 -3.072 9.695 1.00 41.54 O ATOM 362 OD2 ASP A 22 -8.381 -1.293 9.019 1.00 74.22 O ATOM 0 H ASP A 22 -9.454 -2.410 4.932 1.00 23.13 H new ATOM 0 HA ASP A 22 -8.096 -3.805 7.078 1.00 41.02 H new ATOM 0 HB2 ASP A 22 -9.590 -1.499 6.853 1.00 1.42 H new ATOM 0 HB3 ASP A 22 -10.790 -2.611 7.480 1.00 1.42 H new ATOM 367 N ALA A 23 -9.566 -5.831 5.920 1.00 51.00 N ATOM 368 CA ALA A 23 -10.294 -7.086 5.877 1.00 1.24 C ATOM 369 C ALA A 23 -9.342 -8.261 5.741 1.00 33.21 C ATOM 370 O ALA A 23 -8.493 -8.270 4.855 1.00 43.40 O ATOM 371 CB ALA A 23 -11.264 -7.081 4.715 1.00 61.24 C ATOM 0 H ALA A 23 -8.757 -5.796 5.300 1.00 51.00 H new ATOM 0 HA ALA A 23 -10.845 -7.192 6.812 1.00 1.24 H new ATOM 0 HB1 ALA A 23 -11.806 -8.026 4.690 1.00 61.24 H new ATOM 0 HB2 ALA A 23 -11.971 -6.260 4.835 1.00 61.24 H new ATOM 0 HB3 ALA A 23 -10.714 -6.953 3.783 1.00 61.24 H new ATOM 377 N PRO A 24 -9.457 -9.254 6.637 1.00 54.41 N ATOM 378 CA PRO A 24 -8.612 -10.456 6.609 1.00 12.10 C ATOM 379 C PRO A 24 -8.822 -11.309 5.367 1.00 72.31 C ATOM 380 O PRO A 24 -9.599 -12.263 5.374 1.00 63.31 O ATOM 381 CB PRO A 24 -9.018 -11.231 7.869 1.00 11.20 C ATOM 382 CG PRO A 24 -9.685 -10.224 8.736 1.00 24.22 C ATOM 383 CD PRO A 24 -10.388 -9.276 7.773 1.00 23.44 C ATOM 0 HA PRO A 24 -7.556 -10.188 6.583 1.00 12.10 H new ATOM 0 HB2 PRO A 24 -9.692 -12.053 7.628 1.00 11.20 H new ATOM 0 HB3 PRO A 24 -8.149 -11.665 8.363 1.00 11.20 H new ATOM 0 HG2 PRO A 24 -10.396 -10.696 9.414 1.00 24.22 H new ATOM 0 HG3 PRO A 24 -8.960 -9.693 9.353 1.00 24.22 H new ATOM 0 HD2 PRO A 24 -11.374 -9.642 7.486 1.00 23.44 H new ATOM 0 HD3 PRO A 24 -10.529 -8.285 8.205 1.00 23.44 H new ATOM 391 N LEU A 25 -8.142 -10.939 4.291 1.00 43.12 N ATOM 392 CA LEU A 25 -8.165 -11.725 3.067 1.00 11.31 C ATOM 393 C LEU A 25 -6.924 -12.608 3.000 1.00 72.40 C ATOM 394 O LEU A 25 -6.806 -13.474 2.125 1.00 3.33 O ATOM 395 CB LEU A 25 -8.307 -10.820 1.810 1.00 71.45 C ATOM 396 CG LEU A 25 -7.100 -9.952 1.360 1.00 12.34 C ATOM 397 CD1 LEU A 25 -6.437 -9.217 2.515 1.00 10.32 C ATOM 398 CD2 LEU A 25 -6.080 -10.775 0.585 1.00 44.53 C ATOM 0 H LEU A 25 -7.567 -10.098 4.242 1.00 43.12 H new ATOM 0 HA LEU A 25 -9.043 -12.371 3.080 1.00 11.31 H new ATOM 0 HB2 LEU A 25 -8.579 -11.462 0.973 1.00 71.45 H new ATOM 0 HB3 LEU A 25 -9.148 -10.148 1.983 1.00 71.45 H new ATOM 0 HG LEU A 25 -7.506 -9.191 0.693 1.00 12.34 H new ATOM 0 HD11 LEU A 25 -5.601 -8.628 2.139 1.00 10.32 H new ATOM 0 HD12 LEU A 25 -7.162 -8.556 2.990 1.00 10.32 H new ATOM 0 HD13 LEU A 25 -6.072 -9.940 3.245 1.00 10.32 H new ATOM 0 HD21 LEU A 25 -5.249 -10.136 0.286 1.00 44.53 H new ATOM 0 HD22 LEU A 25 -5.708 -11.582 1.216 1.00 44.53 H new ATOM 0 HD23 LEU A 25 -6.552 -11.197 -0.303 1.00 44.53 H new ATOM 410 N CYS A 26 -6.005 -12.367 3.944 1.00 61.10 N ATOM 411 CA CYS A 26 -4.770 -13.137 4.070 1.00 5.15 C ATOM 412 C CYS A 26 -3.841 -12.872 2.887 1.00 51.31 C ATOM 413 O CYS A 26 -2.845 -12.158 3.030 1.00 13.14 O ATOM 414 CB CYS A 26 -5.069 -14.636 4.199 1.00 43.33 C ATOM 415 SG CYS A 26 -6.166 -15.052 5.575 1.00 32.12 S ATOM 0 H CYS A 26 -6.101 -11.629 4.642 1.00 61.10 H new ATOM 0 HA CYS A 26 -4.264 -12.813 4.980 1.00 5.15 H new ATOM 0 HB2 CYS A 26 -5.519 -14.987 3.270 1.00 43.33 H new ATOM 0 HB3 CYS A 26 -4.129 -15.174 4.322 1.00 43.33 H new ATOM 0 HG CYS A 26 -6.361 -16.337 5.601 1.00 32.12 H new ATOM 421 N PHE A 27 -4.176 -13.462 1.737 1.00 41.22 N ATOM 422 CA PHE A 27 -3.436 -13.267 0.489 1.00 25.31 C ATOM 423 C PHE A 27 -3.988 -14.173 -0.609 1.00 23.41 C ATOM 424 O PHE A 27 -3.375 -14.300 -1.666 1.00 43.35 O ATOM 425 CB PHE A 27 -1.941 -13.553 0.665 1.00 65.53 C ATOM 426 CG PHE A 27 -1.619 -14.987 1.008 1.00 71.43 C ATOM 427 CD1 PHE A 27 -1.796 -15.467 2.298 1.00 22.43 C ATOM 428 CD2 PHE A 27 -1.130 -15.852 0.041 1.00 3.51 C ATOM 429 CE1 PHE A 27 -1.499 -16.777 2.615 1.00 64.00 C ATOM 430 CE2 PHE A 27 -0.832 -17.164 0.353 1.00 14.11 C ATOM 431 CZ PHE A 27 -1.016 -17.626 1.641 1.00 31.51 C ATOM 0 H PHE A 27 -4.973 -14.092 1.646 1.00 41.22 H new ATOM 0 HA PHE A 27 -3.560 -12.222 0.205 1.00 25.31 H new ATOM 0 HB2 PHE A 27 -1.421 -13.286 -0.255 1.00 65.53 H new ATOM 0 HB3 PHE A 27 -1.550 -12.907 1.451 1.00 65.53 H new ATOM 0 HD1 PHE A 27 -2.172 -14.806 3.065 1.00 22.43 H new ATOM 0 HD2 PHE A 27 -0.980 -15.496 -0.968 1.00 3.51 H new ATOM 0 HE1 PHE A 27 -1.644 -17.136 3.623 1.00 64.00 H new ATOM 0 HE2 PHE A 27 -0.455 -17.828 -0.410 1.00 14.11 H new ATOM 0 HZ PHE A 27 -0.782 -18.652 1.886 1.00 31.51 H new ATOM 441 N ALA A 28 -5.165 -14.755 -0.363 1.00 23.33 N ATOM 442 CA ALA A 28 -5.722 -15.801 -1.228 1.00 3.33 C ATOM 443 C ALA A 28 -5.655 -15.430 -2.707 1.00 40.41 C ATOM 444 O ALA A 28 -4.979 -16.095 -3.492 1.00 60.52 O ATOM 445 CB ALA A 28 -7.157 -16.100 -0.825 1.00 4.40 C ATOM 0 H ALA A 28 -5.755 -14.518 0.434 1.00 23.33 H new ATOM 0 HA ALA A 28 -5.110 -16.693 -1.094 1.00 3.33 H new ATOM 0 HB1 ALA A 28 -7.562 -16.878 -1.473 1.00 4.40 H new ATOM 0 HB2 ALA A 28 -7.181 -16.441 0.210 1.00 4.40 H new ATOM 0 HB3 ALA A 28 -7.758 -15.196 -0.923 1.00 4.40 H new ATOM 451 N ASN A 29 -6.341 -14.363 -3.076 1.00 72.14 N ATOM 452 CA ASN A 29 -6.343 -13.894 -4.453 1.00 62.30 C ATOM 453 C ASN A 29 -5.582 -12.582 -4.556 1.00 62.21 C ATOM 454 O ASN A 29 -5.615 -11.919 -5.588 1.00 25.22 O ATOM 455 CB ASN A 29 -7.783 -13.708 -4.952 1.00 53.10 C ATOM 456 CG ASN A 29 -8.540 -12.621 -4.200 1.00 75.42 C ATOM 457 OD1 ASN A 29 -8.279 -12.357 -3.023 1.00 11.21 O ATOM 458 ND2 ASN A 29 -9.491 -11.993 -4.871 1.00 54.21 N ATOM 0 H ASN A 29 -6.907 -13.802 -2.439 1.00 72.14 H new ATOM 0 HA ASN A 29 -5.851 -14.640 -5.077 1.00 62.30 H new ATOM 0 HB2 ASN A 29 -7.764 -13.461 -6.014 1.00 53.10 H new ATOM 0 HB3 ASN A 29 -8.320 -14.651 -4.853 1.00 53.10 H new ATOM 0 HD21 ASN A 29 -10.038 -11.262 -4.416 1.00 54.21 H new ATOM 0 HD22 ASN A 29 -9.677 -12.240 -5.843 1.00 54.21 H new ATOM 465 N ALA A 30 -4.855 -12.247 -3.488 1.00 71.12 N ATOM 466 CA ALA A 30 -4.229 -10.932 -3.335 1.00 60.42 C ATOM 467 C ALA A 30 -3.286 -10.589 -4.483 1.00 64.45 C ATOM 468 O ALA A 30 -3.098 -9.420 -4.794 1.00 43.25 O ATOM 469 CB ALA A 30 -3.483 -10.854 -2.013 1.00 3.32 C ATOM 0 H ALA A 30 -4.684 -12.879 -2.706 1.00 71.12 H new ATOM 0 HA ALA A 30 -5.034 -10.198 -3.350 1.00 60.42 H new ATOM 0 HB1 ALA A 30 -3.023 -9.871 -1.912 1.00 3.32 H new ATOM 0 HB2 ALA A 30 -4.181 -11.013 -1.191 1.00 3.32 H new ATOM 0 HB3 ALA A 30 -2.709 -11.621 -1.986 1.00 3.32 H new ATOM 475 N GLU A 31 -2.692 -11.605 -5.090 1.00 55.32 N ATOM 476 CA GLU A 31 -1.793 -11.418 -6.226 1.00 64.14 C ATOM 477 C GLU A 31 -2.539 -10.736 -7.377 1.00 42.34 C ATOM 478 O GLU A 31 -2.354 -9.536 -7.654 1.00 12.04 O ATOM 479 CB GLU A 31 -1.254 -12.792 -6.663 1.00 24.35 C ATOM 480 CG GLU A 31 -0.078 -12.759 -7.634 1.00 52.30 C ATOM 481 CD GLU A 31 -0.438 -12.280 -9.026 1.00 52.33 C ATOM 482 OE1 GLU A 31 -1.008 -13.072 -9.807 1.00 41.33 O ATOM 483 OE2 GLU A 31 -0.138 -11.117 -9.353 1.00 23.31 O ATOM 0 H GLU A 31 -2.816 -12.579 -4.813 1.00 55.32 H new ATOM 0 HA GLU A 31 -0.958 -10.779 -5.940 1.00 64.14 H new ATOM 0 HB2 GLU A 31 -0.952 -13.344 -5.773 1.00 24.35 H new ATOM 0 HB3 GLU A 31 -2.068 -13.352 -7.124 1.00 24.35 H new ATOM 0 HG2 GLU A 31 0.697 -12.110 -7.227 1.00 52.30 H new ATOM 0 HG3 GLU A 31 0.349 -13.759 -7.705 1.00 52.30 H new ATOM 490 N ASP A 32 -3.403 -11.514 -8.014 1.00 14.22 N ATOM 491 CA ASP A 32 -4.177 -11.044 -9.147 1.00 34.13 C ATOM 492 C ASP A 32 -5.045 -9.871 -8.741 1.00 13.11 C ATOM 493 O ASP A 32 -5.076 -8.856 -9.430 1.00 24.14 O ATOM 494 CB ASP A 32 -5.042 -12.175 -9.692 1.00 4.22 C ATOM 495 CG ASP A 32 -5.807 -11.775 -10.941 1.00 52.33 C ATOM 496 OD1 ASP A 32 -6.941 -11.265 -10.823 1.00 3.34 O ATOM 497 OD2 ASP A 32 -5.279 -11.981 -12.048 1.00 23.32 O ATOM 0 H ASP A 32 -3.584 -12.485 -7.759 1.00 14.22 H new ATOM 0 HA ASP A 32 -3.492 -10.715 -9.928 1.00 34.13 H new ATOM 0 HB2 ASP A 32 -4.410 -13.034 -9.917 1.00 4.22 H new ATOM 0 HB3 ASP A 32 -5.748 -12.490 -8.924 1.00 4.22 H new ATOM 502 N PHE A 33 -5.715 -10.010 -7.599 1.00 51.12 N ATOM 503 CA PHE A 33 -6.577 -8.962 -7.059 1.00 23.11 C ATOM 504 C PHE A 33 -5.847 -7.624 -6.989 1.00 14.32 C ATOM 505 O PHE A 33 -6.386 -6.594 -7.400 1.00 61.11 O ATOM 506 CB PHE A 33 -7.084 -9.368 -5.668 1.00 73.43 C ATOM 507 CG PHE A 33 -7.493 -8.210 -4.805 1.00 11.54 C ATOM 508 CD1 PHE A 33 -8.626 -7.469 -5.105 1.00 3.35 C ATOM 509 CD2 PHE A 33 -6.733 -7.859 -3.698 1.00 42.51 C ATOM 510 CE1 PHE A 33 -8.993 -6.397 -4.318 1.00 72.42 C ATOM 511 CE2 PHE A 33 -7.099 -6.789 -2.908 1.00 2.31 C ATOM 512 CZ PHE A 33 -8.230 -6.056 -3.220 1.00 54.24 C ATOM 0 H PHE A 33 -5.676 -10.851 -7.023 1.00 51.12 H new ATOM 0 HA PHE A 33 -7.428 -8.841 -7.730 1.00 23.11 H new ATOM 0 HB2 PHE A 33 -7.935 -10.039 -5.784 1.00 73.43 H new ATOM 0 HB3 PHE A 33 -6.302 -9.930 -5.157 1.00 73.43 H new ATOM 0 HD1 PHE A 33 -9.227 -7.734 -5.963 1.00 3.35 H new ATOM 0 HD2 PHE A 33 -5.848 -8.428 -3.453 1.00 42.51 H new ATOM 0 HE1 PHE A 33 -9.876 -5.825 -4.561 1.00 72.42 H new ATOM 0 HE2 PHE A 33 -6.503 -6.524 -2.047 1.00 2.31 H new ATOM 0 HZ PHE A 33 -8.516 -5.216 -2.604 1.00 54.24 H new ATOM 522 N ARG A 34 -4.617 -7.647 -6.483 1.00 65.12 N ATOM 523 CA ARG A 34 -3.838 -6.429 -6.326 1.00 11.52 C ATOM 524 C ARG A 34 -3.640 -5.738 -7.660 1.00 51.33 C ATOM 525 O ARG A 34 -4.110 -4.617 -7.867 1.00 61.35 O ATOM 526 CB ARG A 34 -2.466 -6.717 -5.730 1.00 34.33 C ATOM 527 CG ARG A 34 -1.675 -5.455 -5.458 1.00 40.32 C ATOM 528 CD ARG A 34 -2.124 -4.803 -4.163 1.00 33.24 C ATOM 529 NE ARG A 34 -1.872 -5.674 -3.010 1.00 2.44 N ATOM 530 CZ ARG A 34 -2.679 -5.764 -1.950 1.00 51.22 C ATOM 531 NH1 ARG A 34 -3.807 -5.064 -1.908 1.00 62.25 N ATOM 532 NH2 ARG A 34 -2.358 -6.563 -0.934 1.00 14.43 N ATOM 0 H ARG A 34 -4.142 -8.496 -6.176 1.00 65.12 H new ATOM 0 HA ARG A 34 -4.399 -5.783 -5.650 1.00 11.52 H new ATOM 0 HB2 ARG A 34 -2.587 -7.273 -4.801 1.00 34.33 H new ATOM 0 HB3 ARG A 34 -1.904 -7.354 -6.412 1.00 34.33 H new ATOM 0 HG2 ARG A 34 -0.613 -5.692 -5.401 1.00 40.32 H new ATOM 0 HG3 ARG A 34 -1.802 -4.756 -6.285 1.00 40.32 H new ATOM 0 HD2 ARG A 34 -1.598 -3.858 -4.029 1.00 33.24 H new ATOM 0 HD3 ARG A 34 -3.188 -4.571 -4.220 1.00 33.24 H new ATOM 0 HE ARG A 34 -1.028 -6.246 -3.018 1.00 2.44 H new ATOM 0 HH11 ARG A 34 -4.059 -4.456 -2.687 1.00 62.25 H new ATOM 0 HH12 ARG A 34 -4.421 -5.135 -1.097 1.00 62.25 H new ATOM 0 HH21 ARG A 34 -1.495 -7.106 -0.965 1.00 14.43 H new ATOM 0 HH22 ARG A 34 -2.975 -6.631 -0.124 1.00 14.43 H new ATOM 546 N ARG A 35 -2.942 -6.411 -8.567 1.00 54.42 N ATOM 547 CA ARG A 35 -2.611 -5.795 -9.843 1.00 40.02 C ATOM 548 C ARG A 35 -3.867 -5.508 -10.649 1.00 44.05 C ATOM 549 O ARG A 35 -3.933 -4.499 -11.338 1.00 4.52 O ATOM 550 CB ARG A 35 -1.626 -6.641 -10.651 1.00 0.31 C ATOM 551 CG ARG A 35 -2.002 -8.105 -10.778 1.00 22.43 C ATOM 552 CD ARG A 35 -1.115 -8.798 -11.793 1.00 73.42 C ATOM 553 NE ARG A 35 -1.148 -10.249 -11.649 1.00 2.22 N ATOM 554 CZ ARG A 35 -1.211 -11.103 -12.666 1.00 40.35 C ATOM 555 NH1 ARG A 35 -1.282 -10.657 -13.912 1.00 11.03 N ATOM 556 NH2 ARG A 35 -1.200 -12.408 -12.432 1.00 41.22 N ATOM 0 H ARG A 35 -2.601 -7.365 -8.446 1.00 54.42 H new ATOM 0 HA ARG A 35 -2.118 -4.848 -9.624 1.00 40.02 H new ATOM 0 HB2 ARG A 35 -1.537 -6.215 -11.650 1.00 0.31 H new ATOM 0 HB3 ARG A 35 -0.642 -6.572 -10.186 1.00 0.31 H new ATOM 0 HG2 ARG A 35 -1.907 -8.596 -9.809 1.00 22.43 H new ATOM 0 HG3 ARG A 35 -3.046 -8.193 -11.079 1.00 22.43 H new ATOM 0 HD2 ARG A 35 -1.435 -8.526 -12.799 1.00 73.42 H new ATOM 0 HD3 ARG A 35 -0.090 -8.446 -11.679 1.00 73.42 H new ATOM 0 HE ARG A 35 -1.121 -10.634 -10.705 1.00 2.22 H new ATOM 0 HH11 ARG A 35 -1.289 -9.654 -14.095 1.00 11.03 H new ATOM 0 HH12 ARG A 35 -1.330 -11.317 -14.688 1.00 11.03 H new ATOM 0 HH21 ARG A 35 -1.143 -12.754 -11.474 1.00 41.22 H new ATOM 0 HH22 ARG A 35 -1.248 -13.066 -13.210 1.00 41.22 H new ATOM 570 N ARG A 36 -4.869 -6.375 -10.522 1.00 31.24 N ATOM 571 CA ARG A 36 -6.128 -6.218 -11.244 1.00 61.12 C ATOM 572 C ARG A 36 -6.802 -4.898 -10.870 1.00 42.31 C ATOM 573 O ARG A 36 -6.860 -3.980 -11.679 1.00 42.50 O ATOM 574 CB ARG A 36 -7.072 -7.388 -10.932 1.00 41.22 C ATOM 575 CG ARG A 36 -8.269 -7.496 -11.859 1.00 61.41 C ATOM 576 CD ARG A 36 -7.858 -7.929 -13.258 1.00 50.15 C ATOM 577 NE ARG A 36 -7.166 -9.223 -13.257 1.00 40.33 N ATOM 578 CZ ARG A 36 -6.903 -9.930 -14.359 1.00 70.12 C ATOM 579 NH1 ARG A 36 -7.349 -9.531 -15.542 1.00 15.41 N ATOM 580 NH2 ARG A 36 -6.214 -11.056 -14.281 1.00 15.53 N ATOM 0 H ARG A 36 -4.832 -7.199 -9.921 1.00 31.24 H new ATOM 0 HA ARG A 36 -5.909 -6.211 -12.312 1.00 61.12 H new ATOM 0 HB2 ARG A 36 -6.506 -8.318 -10.981 1.00 41.22 H new ATOM 0 HB3 ARG A 36 -7.430 -7.286 -9.908 1.00 41.22 H new ATOM 0 HG2 ARG A 36 -8.982 -8.212 -11.451 1.00 61.41 H new ATOM 0 HG3 ARG A 36 -8.778 -6.533 -11.910 1.00 61.41 H new ATOM 0 HD2 ARG A 36 -8.743 -7.993 -13.891 1.00 50.15 H new ATOM 0 HD3 ARG A 36 -7.207 -7.171 -13.695 1.00 50.15 H new ATOM 0 HE ARG A 36 -6.868 -9.606 -12.360 1.00 40.33 H new ATOM 0 HH11 ARG A 36 -7.899 -8.676 -15.618 1.00 15.41 H new ATOM 0 HH12 ARG A 36 -7.142 -10.079 -16.377 1.00 15.41 H new ATOM 0 HH21 ARG A 36 -5.881 -11.388 -13.376 1.00 15.53 H new ATOM 0 HH22 ARG A 36 -6.016 -11.592 -15.126 1.00 15.53 H new ATOM 594 N ALA A 37 -7.264 -4.802 -9.623 1.00 12.02 N ATOM 595 CA ALA A 37 -8.037 -3.647 -9.167 1.00 63.12 C ATOM 596 C ALA A 37 -7.288 -2.335 -9.386 1.00 50.21 C ATOM 597 O ALA A 37 -7.861 -1.350 -9.860 1.00 54.10 O ATOM 598 CB ALA A 37 -8.402 -3.807 -7.699 1.00 44.22 C ATOM 0 H ALA A 37 -7.115 -5.514 -8.908 1.00 12.02 H new ATOM 0 HA ALA A 37 -8.948 -3.606 -9.763 1.00 63.12 H new ATOM 0 HB1 ALA A 37 -8.977 -2.941 -7.371 1.00 44.22 H new ATOM 0 HB2 ALA A 37 -8.999 -4.710 -7.569 1.00 44.22 H new ATOM 0 HB3 ALA A 37 -7.492 -3.885 -7.104 1.00 44.22 H new ATOM 604 N LEU A 38 -6.008 -2.335 -9.055 1.00 24.31 N ATOM 605 CA LEU A 38 -5.194 -1.132 -9.162 1.00 24.20 C ATOM 606 C LEU A 38 -5.021 -0.703 -10.621 1.00 35.03 C ATOM 607 O LEU A 38 -5.299 0.447 -10.983 1.00 43.23 O ATOM 608 CB LEU A 38 -3.830 -1.356 -8.493 1.00 24.22 C ATOM 609 CG LEU A 38 -3.790 -1.148 -6.968 1.00 54.13 C ATOM 610 CD1 LEU A 38 -4.857 -1.967 -6.257 1.00 1.43 C ATOM 611 CD2 LEU A 38 -2.416 -1.507 -6.426 1.00 65.35 C ATOM 0 H LEU A 38 -5.508 -3.154 -8.710 1.00 24.31 H new ATOM 0 HA LEU A 38 -5.711 -0.324 -8.643 1.00 24.20 H new ATOM 0 HB2 LEU A 38 -3.502 -2.372 -8.711 1.00 24.22 H new ATOM 0 HB3 LEU A 38 -3.106 -0.682 -8.952 1.00 24.22 H new ATOM 0 HG LEU A 38 -3.995 -0.095 -6.775 1.00 54.13 H new ATOM 0 HD11 LEU A 38 -4.795 -1.792 -5.183 1.00 1.43 H new ATOM 0 HD12 LEU A 38 -5.843 -1.671 -6.616 1.00 1.43 H new ATOM 0 HD13 LEU A 38 -4.699 -3.026 -6.462 1.00 1.43 H new ATOM 0 HD21 LEU A 38 -2.400 -1.356 -5.347 1.00 65.35 H new ATOM 0 HD22 LEU A 38 -2.198 -2.551 -6.650 1.00 65.35 H new ATOM 0 HD23 LEU A 38 -1.663 -0.871 -6.893 1.00 65.35 H new ATOM 623 N THR A 39 -4.598 -1.627 -11.471 1.00 23.12 N ATOM 624 CA THR A 39 -4.339 -1.297 -12.865 1.00 3.41 C ATOM 625 C THR A 39 -5.640 -0.894 -13.571 1.00 63.10 C ATOM 626 O THR A 39 -5.625 -0.263 -14.629 1.00 22.33 O ATOM 627 CB THR A 39 -3.647 -2.469 -13.603 1.00 54.11 C ATOM 628 OG1 THR A 39 -2.971 -1.984 -14.770 1.00 44.31 O ATOM 629 CG2 THR A 39 -4.645 -3.545 -14.014 1.00 53.02 C ATOM 0 H THR A 39 -4.428 -2.602 -11.224 1.00 23.12 H new ATOM 0 HA THR A 39 -3.657 -0.447 -12.889 1.00 3.41 H new ATOM 0 HB THR A 39 -2.930 -2.912 -12.912 1.00 54.11 H new ATOM 0 HG1 THR A 39 -2.535 -2.732 -15.230 1.00 44.31 H new ATOM 0 HG21 THR A 39 -4.121 -4.350 -14.529 1.00 53.02 H new ATOM 0 HG22 THR A 39 -5.138 -3.942 -13.127 1.00 53.02 H new ATOM 0 HG23 THR A 39 -5.391 -3.113 -14.681 1.00 53.02 H new ATOM 637 N VAL A 40 -6.759 -1.253 -12.952 1.00 1.32 N ATOM 638 CA VAL A 40 -8.080 -0.854 -13.411 1.00 51.12 C ATOM 639 C VAL A 40 -8.346 0.622 -13.128 1.00 73.13 C ATOM 640 O VAL A 40 -8.790 1.357 -14.009 1.00 64.11 O ATOM 641 CB VAL A 40 -9.154 -1.714 -12.723 1.00 3.31 C ATOM 642 CG1 VAL A 40 -10.539 -1.097 -12.866 1.00 21.33 C ATOM 643 CG2 VAL A 40 -9.141 -3.118 -13.301 1.00 2.02 C ATOM 0 H VAL A 40 -6.773 -1.833 -12.113 1.00 1.32 H new ATOM 0 HA VAL A 40 -8.121 -1.006 -14.490 1.00 51.12 H new ATOM 0 HB VAL A 40 -8.920 -1.760 -11.659 1.00 3.31 H new ATOM 0 HG11 VAL A 40 -11.273 -1.731 -12.368 1.00 21.33 H new ATOM 0 HG12 VAL A 40 -10.545 -0.107 -12.409 1.00 21.33 H new ATOM 0 HG13 VAL A 40 -10.791 -1.011 -13.923 1.00 21.33 H new ATOM 0 HG21 VAL A 40 -9.904 -3.721 -12.809 1.00 2.02 H new ATOM 0 HG22 VAL A 40 -9.348 -3.073 -14.370 1.00 2.02 H new ATOM 0 HG23 VAL A 40 -8.162 -3.569 -13.139 1.00 2.02 H new ATOM 653 N VAL A 41 -8.061 1.059 -11.900 1.00 14.01 N ATOM 654 CA VAL A 41 -8.277 2.456 -11.521 1.00 21.31 C ATOM 655 C VAL A 41 -7.199 3.353 -12.123 1.00 23.53 C ATOM 656 O VAL A 41 -7.185 4.566 -11.891 1.00 14.44 O ATOM 657 CB VAL A 41 -8.318 2.648 -9.987 1.00 30.21 C ATOM 658 CG1 VAL A 41 -9.393 1.767 -9.366 1.00 74.23 C ATOM 659 CG2 VAL A 41 -6.959 2.371 -9.354 1.00 52.42 C ATOM 0 H VAL A 41 -7.683 0.471 -11.157 1.00 14.01 H new ATOM 0 HA VAL A 41 -9.251 2.742 -11.919 1.00 21.31 H new ATOM 0 HB VAL A 41 -8.567 3.690 -9.788 1.00 30.21 H new ATOM 0 HG11 VAL A 41 -9.407 1.916 -8.286 1.00 74.23 H new ATOM 0 HG12 VAL A 41 -10.365 2.032 -9.781 1.00 74.23 H new ATOM 0 HG13 VAL A 41 -9.178 0.721 -9.585 1.00 74.23 H new ATOM 0 HG21 VAL A 41 -7.024 2.515 -8.276 1.00 52.42 H new ATOM 0 HG22 VAL A 41 -6.662 1.344 -9.565 1.00 52.42 H new ATOM 0 HG23 VAL A 41 -6.219 3.056 -9.768 1.00 52.42 H new ATOM 669 N ASP A 42 -6.294 2.712 -12.863 1.00 63.51 N ATOM 670 CA ASP A 42 -5.244 3.373 -13.644 1.00 2.33 C ATOM 671 C ASP A 42 -4.015 3.515 -12.781 1.00 20.32 C ATOM 672 O ASP A 42 -3.975 4.301 -11.835 1.00 4.15 O ATOM 673 CB ASP A 42 -5.676 4.719 -14.236 1.00 60.43 C ATOM 674 CG ASP A 42 -4.643 5.290 -15.190 1.00 34.33 C ATOM 675 OD1 ASP A 42 -4.396 4.668 -16.246 1.00 10.33 O ATOM 676 OD2 ASP A 42 -4.098 6.377 -14.903 1.00 10.31 O ATOM 0 H ASP A 42 -6.269 1.695 -12.939 1.00 63.51 H new ATOM 0 HA ASP A 42 -5.024 2.746 -14.508 1.00 2.33 H new ATOM 0 HB2 ASP A 42 -6.623 4.594 -14.762 1.00 60.43 H new ATOM 0 HB3 ASP A 42 -5.852 5.429 -13.428 1.00 60.43 H new ATOM 681 N GLN A 43 -3.019 2.727 -13.117 1.00 31.21 N ATOM 682 CA GLN A 43 -1.938 2.444 -12.203 1.00 53.01 C ATOM 683 C GLN A 43 -0.636 2.235 -12.966 1.00 13.22 C ATOM 684 O GLN A 43 0.288 3.033 -12.877 1.00 11.34 O ATOM 685 CB GLN A 43 -2.330 1.177 -11.438 1.00 23.00 C ATOM 686 CG GLN A 43 -1.776 1.060 -10.035 1.00 72.42 C ATOM 687 CD GLN A 43 -0.361 0.522 -10.004 1.00 71.12 C ATOM 688 OE1 GLN A 43 0.609 1.270 -10.068 1.00 23.23 O ATOM 689 NE2 GLN A 43 -0.243 -0.790 -9.908 1.00 60.35 N ATOM 0 H GLN A 43 -2.936 2.268 -14.024 1.00 31.21 H new ATOM 0 HA GLN A 43 -1.776 3.275 -11.517 1.00 53.01 H new ATOM 0 HB2 GLN A 43 -3.418 1.129 -11.385 1.00 23.00 H new ATOM 0 HB3 GLN A 43 -2.000 0.311 -12.012 1.00 23.00 H new ATOM 0 HG2 GLN A 43 -1.797 2.040 -9.558 1.00 72.42 H new ATOM 0 HG3 GLN A 43 -2.421 0.406 -9.448 1.00 72.42 H new ATOM 0 HE21 GLN A 43 -1.077 -1.375 -9.857 1.00 60.35 H new ATOM 0 HE22 GLN A 43 0.682 -1.218 -9.885 1.00 60.35 H new ATOM 698 N ASP A 44 -0.596 1.158 -13.735 1.00 3.23 N ATOM 699 CA ASP A 44 0.602 0.780 -14.475 1.00 61.20 C ATOM 700 C ASP A 44 0.762 1.573 -15.783 1.00 13.01 C ATOM 701 O ASP A 44 1.803 2.193 -16.000 1.00 35.32 O ATOM 702 CB ASP A 44 0.583 -0.728 -14.752 1.00 25.40 C ATOM 703 CG ASP A 44 1.691 -1.172 -15.694 1.00 42.12 C ATOM 704 OD1 ASP A 44 2.794 -1.494 -15.217 1.00 14.24 O ATOM 705 OD2 ASP A 44 1.452 -1.214 -16.923 1.00 2.31 O ATOM 0 H ASP A 44 -1.385 0.525 -13.865 1.00 3.23 H new ATOM 0 HA ASP A 44 1.465 1.027 -13.856 1.00 61.20 H new ATOM 0 HB2 ASP A 44 0.678 -1.266 -13.809 1.00 25.40 H new ATOM 0 HB3 ASP A 44 -0.382 -1.001 -15.180 1.00 25.40 H new ATOM 710 N PRO A 45 -0.254 1.582 -16.681 1.00 12.14 N ATOM 711 CA PRO A 45 -0.121 2.206 -17.997 1.00 64.22 C ATOM 712 C PRO A 45 -0.547 3.676 -18.028 1.00 50.40 C ATOM 713 O PRO A 45 -1.034 4.161 -19.051 1.00 15.02 O ATOM 714 CB PRO A 45 -1.068 1.363 -18.849 1.00 4.35 C ATOM 715 CG PRO A 45 -2.181 0.988 -17.927 1.00 33.23 C ATOM 716 CD PRO A 45 -1.593 0.982 -16.509 1.00 41.33 C ATOM 0 HA PRO A 45 0.915 2.225 -18.334 1.00 64.22 H new ATOM 0 HB2 PRO A 45 -1.437 1.927 -19.706 1.00 4.35 H new ATOM 0 HB3 PRO A 45 -0.565 0.479 -19.242 1.00 4.35 H new ATOM 0 HG2 PRO A 45 -3.003 1.700 -18.002 1.00 33.23 H new ATOM 0 HG3 PRO A 45 -2.583 0.008 -18.184 1.00 33.23 H new ATOM 0 HD2 PRO A 45 -2.206 1.562 -15.819 1.00 41.33 H new ATOM 0 HD3 PRO A 45 -1.530 -0.029 -16.106 1.00 41.33 H new ATOM 724 N GLY A 46 -0.338 4.390 -16.932 1.00 75.45 N ATOM 725 CA GLY A 46 -0.742 5.785 -16.875 1.00 73.01 C ATOM 726 C GLY A 46 0.199 6.624 -16.038 1.00 52.13 C ATOM 727 O GLY A 46 1.012 6.088 -15.285 1.00 42.14 O ATOM 0 H GLY A 46 0.102 4.033 -16.084 1.00 75.45 H new ATOM 0 HA2 GLY A 46 -0.784 6.190 -17.886 1.00 73.01 H new ATOM 0 HA3 GLY A 46 -1.749 5.852 -16.463 1.00 73.01 H new ATOM 731 N GLN A 47 0.105 7.939 -16.180 1.00 73.43 N ATOM 732 CA GLN A 47 0.888 8.853 -15.367 1.00 41.10 C ATOM 733 C GLN A 47 0.212 8.993 -14.011 1.00 33.34 C ATOM 734 O GLN A 47 -0.738 9.762 -13.849 1.00 40.34 O ATOM 735 CB GLN A 47 1.011 10.214 -16.062 1.00 14.33 C ATOM 736 CG GLN A 47 2.321 10.951 -15.785 1.00 11.24 C ATOM 737 CD GLN A 47 2.469 11.412 -14.344 1.00 34.11 C ATOM 738 OE1 GLN A 47 1.491 11.735 -13.671 1.00 53.51 O ATOM 739 NE2 GLN A 47 3.701 11.456 -13.865 1.00 2.21 N ATOM 0 H GLN A 47 -0.509 8.396 -16.854 1.00 73.43 H new ATOM 0 HA GLN A 47 1.896 8.462 -15.231 1.00 41.10 H new ATOM 0 HB2 GLN A 47 0.911 10.069 -17.138 1.00 14.33 H new ATOM 0 HB3 GLN A 47 0.180 10.845 -15.747 1.00 14.33 H new ATOM 0 HG2 GLN A 47 3.156 10.297 -16.036 1.00 11.24 H new ATOM 0 HG3 GLN A 47 2.386 11.817 -16.443 1.00 11.24 H new ATOM 0 HE21 GLN A 47 4.487 11.180 -14.453 1.00 2.21 H new ATOM 0 HE22 GLN A 47 3.865 11.766 -12.907 1.00 2.21 H new ATOM 748 N VAL A 48 0.682 8.220 -13.051 1.00 71.22 N ATOM 749 CA VAL A 48 0.026 8.132 -11.762 1.00 23.54 C ATOM 750 C VAL A 48 0.906 8.682 -10.639 1.00 54.22 C ATOM 751 O VAL A 48 2.114 8.445 -10.607 1.00 32.13 O ATOM 752 CB VAL A 48 -0.363 6.664 -11.458 1.00 23.22 C ATOM 753 CG1 VAL A 48 0.874 5.788 -11.309 1.00 32.35 C ATOM 754 CG2 VAL A 48 -1.235 6.575 -10.218 1.00 63.35 C ATOM 0 H VAL A 48 1.518 7.643 -13.140 1.00 71.22 H new ATOM 0 HA VAL A 48 -0.875 8.744 -11.810 1.00 23.54 H new ATOM 0 HB VAL A 48 -0.940 6.293 -12.305 1.00 23.22 H new ATOM 0 HG11 VAL A 48 0.570 4.763 -11.096 1.00 32.35 H new ATOM 0 HG12 VAL A 48 1.450 5.811 -12.234 1.00 32.35 H new ATOM 0 HG13 VAL A 48 1.488 6.162 -10.490 1.00 32.35 H new ATOM 0 HG21 VAL A 48 -1.493 5.533 -10.029 1.00 63.35 H new ATOM 0 HG22 VAL A 48 -0.692 6.976 -9.362 1.00 63.35 H new ATOM 0 HG23 VAL A 48 -2.147 7.152 -10.372 1.00 63.35 H new ATOM 764 N GLU A 49 0.294 9.457 -9.756 1.00 62.24 N ATOM 765 CA GLU A 49 0.919 9.860 -8.507 1.00 33.11 C ATOM 766 C GLU A 49 0.107 9.273 -7.366 1.00 12.10 C ATOM 767 O GLU A 49 -0.982 9.761 -7.056 1.00 65.33 O ATOM 768 CB GLU A 49 0.982 11.386 -8.386 1.00 61.20 C ATOM 769 CG GLU A 49 1.636 11.865 -7.096 1.00 53.20 C ATOM 770 CD GLU A 49 1.523 13.362 -6.896 1.00 32.53 C ATOM 771 OE1 GLU A 49 0.512 13.815 -6.327 1.00 1.33 O ATOM 772 OE2 GLU A 49 2.456 14.093 -7.294 1.00 63.33 O ATOM 0 H GLU A 49 -0.649 9.823 -9.886 1.00 62.24 H new ATOM 0 HA GLU A 49 1.944 9.491 -8.475 1.00 33.11 H new ATOM 0 HB2 GLU A 49 1.534 11.788 -9.235 1.00 61.20 H new ATOM 0 HB3 GLU A 49 -0.029 11.790 -8.444 1.00 61.20 H new ATOM 0 HG2 GLU A 49 1.175 11.355 -6.250 1.00 53.20 H new ATOM 0 HG3 GLU A 49 2.689 11.583 -7.102 1.00 53.20 H new ATOM 779 N TRP A 50 0.605 8.210 -6.763 1.00 4.51 N ATOM 780 CA TRP A 50 -0.178 7.497 -5.778 1.00 50.24 C ATOM 781 C TRP A 50 0.692 6.942 -4.671 1.00 64.44 C ATOM 782 O TRP A 50 1.903 7.158 -4.644 1.00 32.24 O ATOM 783 CB TRP A 50 -0.973 6.360 -6.438 1.00 15.23 C ATOM 784 CG TRP A 50 -0.139 5.207 -6.927 1.00 44.22 C ATOM 785 CD1 TRP A 50 0.792 5.223 -7.926 1.00 14.24 C ATOM 786 CD2 TRP A 50 -0.187 3.856 -6.452 1.00 54.24 C ATOM 787 NE1 TRP A 50 1.331 3.972 -8.092 1.00 54.31 N ATOM 788 CE2 TRP A 50 0.748 3.114 -7.201 1.00 62.11 C ATOM 789 CE3 TRP A 50 -0.924 3.197 -5.464 1.00 53.24 C ATOM 790 CZ2 TRP A 50 0.961 1.754 -6.993 1.00 13.33 C ATOM 791 CZ3 TRP A 50 -0.711 1.847 -5.259 1.00 75.24 C ATOM 792 CH2 TRP A 50 0.226 1.138 -6.021 1.00 52.41 C ATOM 0 H TRP A 50 1.535 7.827 -6.936 1.00 4.51 H new ATOM 0 HA TRP A 50 -0.874 8.211 -5.337 1.00 50.24 H new ATOM 0 HB2 TRP A 50 -1.704 5.984 -5.722 1.00 15.23 H new ATOM 0 HB3 TRP A 50 -1.532 6.768 -7.280 1.00 15.23 H new ATOM 0 HD1 TRP A 50 1.065 6.095 -8.502 1.00 14.24 H new ATOM 0 HE1 TRP A 50 2.050 3.722 -8.771 1.00 54.31 H new ATOM 0 HE3 TRP A 50 -1.649 3.734 -4.870 1.00 53.24 H new ATOM 0 HZ2 TRP A 50 1.683 1.205 -7.580 1.00 13.33 H new ATOM 0 HZ3 TRP A 50 -1.277 1.330 -4.498 1.00 75.24 H new ATOM 0 HH2 TRP A 50 0.370 0.084 -5.836 1.00 52.41 H new ATOM 803 N PHE A 51 0.059 6.248 -3.746 1.00 65.44 N ATOM 804 CA PHE A 51 0.765 5.561 -2.687 1.00 54.43 C ATOM 805 C PHE A 51 -0.179 4.607 -1.982 1.00 71.34 C ATOM 806 O PHE A 51 -1.361 4.549 -2.316 1.00 65.41 O ATOM 807 CB PHE A 51 1.381 6.568 -1.705 1.00 62.43 C ATOM 808 CG PHE A 51 0.401 7.435 -0.962 1.00 44.44 C ATOM 809 CD1 PHE A 51 -0.181 8.536 -1.574 1.00 50.12 C ATOM 810 CD2 PHE A 51 0.085 7.162 0.358 1.00 45.43 C ATOM 811 CE1 PHE A 51 -1.064 9.344 -0.881 1.00 3.42 C ATOM 812 CE2 PHE A 51 -0.791 7.969 1.056 1.00 61.33 C ATOM 813 CZ PHE A 51 -1.367 9.060 0.436 1.00 12.02 C ATOM 0 H PHE A 51 -0.955 6.146 -3.709 1.00 65.44 H new ATOM 0 HA PHE A 51 1.583 4.983 -3.116 1.00 54.43 H new ATOM 0 HB2 PHE A 51 1.978 6.019 -0.977 1.00 62.43 H new ATOM 0 HB3 PHE A 51 2.065 7.214 -2.256 1.00 62.43 H new ATOM 0 HD1 PHE A 51 0.058 8.764 -2.602 1.00 50.12 H new ATOM 0 HD2 PHE A 51 0.529 6.308 0.847 1.00 45.43 H new ATOM 0 HE1 PHE A 51 -1.516 10.195 -1.369 1.00 3.42 H new ATOM 0 HE2 PHE A 51 -1.026 7.747 2.087 1.00 61.33 H new ATOM 0 HZ PHE A 51 -2.054 9.691 0.981 1.00 12.02 H new ATOM 823 N VAL A 52 0.332 3.832 -1.043 1.00 61.12 N ATOM 824 CA VAL A 52 -0.528 2.988 -0.229 1.00 54.51 C ATOM 825 C VAL A 52 -0.349 3.335 1.236 1.00 43.53 C ATOM 826 O VAL A 52 0.752 3.698 1.671 1.00 20.52 O ATOM 827 CB VAL A 52 -0.280 1.474 -0.449 1.00 62.25 C ATOM 828 CG1 VAL A 52 -0.369 1.121 -1.928 1.00 2.21 C ATOM 829 CG2 VAL A 52 1.052 1.036 0.144 1.00 54.54 C ATOM 0 H VAL A 52 1.326 3.768 -0.825 1.00 61.12 H new ATOM 0 HA VAL A 52 -1.554 3.186 -0.541 1.00 54.51 H new ATOM 0 HB VAL A 52 -1.064 0.928 0.076 1.00 62.25 H new ATOM 0 HG11 VAL A 52 -0.192 0.053 -2.059 1.00 2.21 H new ATOM 0 HG12 VAL A 52 -1.361 1.373 -2.303 1.00 2.21 H new ATOM 0 HG13 VAL A 52 0.382 1.684 -2.482 1.00 2.21 H new ATOM 0 HG21 VAL A 52 1.194 -0.031 -0.028 1.00 54.54 H new ATOM 0 HG22 VAL A 52 1.861 1.591 -0.330 1.00 54.54 H new ATOM 0 HG23 VAL A 52 1.056 1.234 1.216 1.00 54.54 H new ATOM 839 N LEU A 53 -1.428 3.253 1.991 1.00 25.03 N ATOM 840 CA LEU A 53 -1.381 3.575 3.403 1.00 64.00 C ATOM 841 C LEU A 53 -2.186 2.560 4.195 1.00 25.35 C ATOM 842 O LEU A 53 -3.095 1.922 3.666 1.00 70.14 O ATOM 843 CB LEU A 53 -1.903 5.000 3.664 1.00 72.22 C ATOM 844 CG LEU A 53 -3.418 5.154 3.885 1.00 42.41 C ATOM 845 CD1 LEU A 53 -3.766 6.612 4.128 1.00 41.33 C ATOM 846 CD2 LEU A 53 -4.216 4.622 2.707 1.00 61.43 C ATOM 0 H LEU A 53 -2.346 2.967 1.650 1.00 25.03 H new ATOM 0 HA LEU A 53 -0.342 3.535 3.730 1.00 64.00 H new ATOM 0 HB2 LEU A 53 -1.390 5.394 4.541 1.00 72.22 H new ATOM 0 HB3 LEU A 53 -1.617 5.627 2.819 1.00 72.22 H new ATOM 0 HG LEU A 53 -3.684 4.565 4.762 1.00 42.41 H new ATOM 0 HD11 LEU A 53 -4.841 6.709 4.283 1.00 41.33 H new ATOM 0 HD12 LEU A 53 -3.238 6.970 5.012 1.00 41.33 H new ATOM 0 HD13 LEU A 53 -3.469 7.206 3.263 1.00 41.33 H new ATOM 0 HD21 LEU A 53 -5.281 4.749 2.902 1.00 61.43 H new ATOM 0 HD22 LEU A 53 -3.944 5.171 1.806 1.00 61.43 H new ATOM 0 HD23 LEU A 53 -3.996 3.564 2.567 1.00 61.43 H new ATOM 858 N ASN A 54 -1.826 2.388 5.449 1.00 51.21 N ATOM 859 CA ASN A 54 -2.603 1.555 6.352 1.00 50.41 C ATOM 860 C ASN A 54 -3.965 2.176 6.612 1.00 54.33 C ATOM 861 O ASN A 54 -4.059 3.373 6.897 1.00 13.44 O ATOM 862 CB ASN A 54 -1.861 1.368 7.668 1.00 53.30 C ATOM 863 CG ASN A 54 -0.830 0.262 7.613 1.00 13.21 C ATOM 864 OD1 ASN A 54 -0.492 -0.323 8.637 1.00 24.23 O ATOM 865 ND2 ASN A 54 -0.314 -0.025 6.432 1.00 21.21 N ATOM 0 H ASN A 54 -1.000 2.813 5.870 1.00 51.21 H new ATOM 0 HA ASN A 54 -2.745 0.582 5.882 1.00 50.41 H new ATOM 0 HB2 ASN A 54 -1.369 2.303 7.937 1.00 53.30 H new ATOM 0 HB3 ASN A 54 -2.581 1.148 8.456 1.00 53.30 H new ATOM 0 HD21 ASN A 54 0.392 -0.756 6.348 1.00 21.21 H new ATOM 0 HD22 ASN A 54 -0.622 0.484 5.604 1.00 21.21 H new ATOM 872 N ALA A 55 -5.011 1.362 6.519 1.00 75.11 N ATOM 873 CA ALA A 55 -6.370 1.841 6.720 1.00 35.20 C ATOM 874 C ALA A 55 -6.568 2.296 8.161 1.00 52.14 C ATOM 875 O ALA A 55 -6.716 3.490 8.425 1.00 33.42 O ATOM 876 CB ALA A 55 -7.379 0.764 6.344 1.00 73.12 C ATOM 0 H ALA A 55 -4.942 0.367 6.305 1.00 75.11 H new ATOM 0 HA ALA A 55 -6.535 2.699 6.068 1.00 35.20 H new ATOM 0 HB1 ALA A 55 -8.389 1.141 6.501 1.00 73.12 H new ATOM 0 HB2 ALA A 55 -7.251 0.496 5.295 1.00 73.12 H new ATOM 0 HB3 ALA A 55 -7.220 -0.117 6.966 1.00 73.12 H new ATOM 882 N GLU A 56 -6.560 1.343 9.088 1.00 4.12 N ATOM 883 CA GLU A 56 -6.652 1.656 10.509 1.00 32.12 C ATOM 884 C GLU A 56 -6.258 0.447 11.351 1.00 32.13 C ATOM 885 O GLU A 56 -5.288 0.491 12.108 1.00 10.43 O ATOM 886 CB GLU A 56 -8.071 2.096 10.873 1.00 20.14 C ATOM 887 CG GLU A 56 -8.196 2.642 12.284 1.00 71.11 C ATOM 888 CD GLU A 56 -7.424 3.930 12.477 1.00 52.43 C ATOM 889 OE1 GLU A 56 -7.926 4.992 12.049 1.00 21.13 O ATOM 890 OE2 GLU A 56 -6.323 3.892 13.069 1.00 71.32 O ATOM 0 H GLU A 56 -6.491 0.347 8.880 1.00 4.12 H new ATOM 0 HA GLU A 56 -5.963 2.474 10.719 1.00 32.12 H new ATOM 0 HB2 GLU A 56 -8.398 2.859 10.167 1.00 20.14 H new ATOM 0 HB3 GLU A 56 -8.746 1.247 10.760 1.00 20.14 H new ATOM 0 HG2 GLU A 56 -9.248 2.815 12.511 1.00 71.11 H new ATOM 0 HG3 GLU A 56 -7.835 1.896 12.992 1.00 71.11 H new ATOM 897 N SER A 57 -7.002 -0.633 11.199 1.00 21.01 N ATOM 898 CA SER A 57 -6.799 -1.824 12.004 1.00 13.02 C ATOM 899 C SER A 57 -6.459 -3.016 11.121 1.00 32.34 C ATOM 900 O SER A 57 -6.866 -4.149 11.393 1.00 70.01 O ATOM 901 CB SER A 57 -8.050 -2.101 12.839 1.00 25.24 C ATOM 902 OG SER A 57 -9.236 -1.890 12.084 1.00 72.04 O ATOM 0 H SER A 57 -7.759 -0.710 10.519 1.00 21.01 H new ATOM 0 HA SER A 57 -5.958 -1.659 12.678 1.00 13.02 H new ATOM 0 HB2 SER A 57 -8.026 -3.128 13.202 1.00 25.24 H new ATOM 0 HB3 SER A 57 -8.055 -1.453 13.715 1.00 25.24 H new ATOM 0 HG SER A 57 -9.296 -2.563 11.374 1.00 72.04 H new ATOM 908 N ASN A 58 -5.672 -2.750 10.083 1.00 65.33 N ATOM 909 CA ASN A 58 -5.235 -3.775 9.133 1.00 24.12 C ATOM 910 C ASN A 58 -4.193 -4.709 9.757 1.00 70.30 C ATOM 911 O ASN A 58 -3.214 -5.085 9.116 1.00 62.54 O ATOM 912 CB ASN A 58 -4.667 -3.110 7.869 1.00 51.40 C ATOM 913 CG ASN A 58 -3.595 -2.082 8.168 1.00 44.44 C ATOM 914 OD1 ASN A 58 -3.893 -0.908 8.396 1.00 62.12 O ATOM 915 ND2 ASN A 58 -2.343 -2.507 8.155 1.00 13.42 N ATOM 0 H ASN A 58 -5.317 -1.817 9.874 1.00 65.33 H new ATOM 0 HA ASN A 58 -6.102 -4.378 8.863 1.00 24.12 H new ATOM 0 HB2 ASN A 58 -4.253 -3.879 7.216 1.00 51.40 H new ATOM 0 HB3 ASN A 58 -5.479 -2.631 7.322 1.00 51.40 H new ATOM 0 HD21 ASN A 58 -1.581 -1.854 8.338 1.00 13.42 H new ATOM 0 HD22 ASN A 58 -2.139 -3.488 7.962 1.00 13.42 H new ATOM 922 N VAL A 59 -4.437 -5.117 10.996 1.00 41.45 N ATOM 923 CA VAL A 59 -3.496 -5.946 11.729 1.00 64.25 C ATOM 924 C VAL A 59 -3.888 -7.422 11.693 1.00 60.51 C ATOM 925 O VAL A 59 -3.077 -8.292 12.012 1.00 44.32 O ATOM 926 CB VAL A 59 -3.379 -5.506 13.202 1.00 54.23 C ATOM 927 CG1 VAL A 59 -2.893 -4.074 13.299 1.00 1.33 C ATOM 928 CG2 VAL A 59 -4.706 -5.667 13.933 1.00 2.30 C ATOM 0 H VAL A 59 -5.284 -4.884 11.514 1.00 41.45 H new ATOM 0 HA VAL A 59 -2.534 -5.818 11.233 1.00 64.25 H new ATOM 0 HB VAL A 59 -2.647 -6.154 13.683 1.00 54.23 H new ATOM 0 HG11 VAL A 59 -2.818 -3.785 14.347 1.00 1.33 H new ATOM 0 HG12 VAL A 59 -1.913 -3.990 12.829 1.00 1.33 H new ATOM 0 HG13 VAL A 59 -3.597 -3.415 12.791 1.00 1.33 H new ATOM 0 HG21 VAL A 59 -4.592 -5.349 14.969 1.00 2.30 H new ATOM 0 HG22 VAL A 59 -5.466 -5.055 13.447 1.00 2.30 H new ATOM 0 HG23 VAL A 59 -5.011 -6.713 13.906 1.00 2.30 H new ATOM 938 N GLU A 60 -5.134 -7.705 11.318 1.00 4.32 N ATOM 939 CA GLU A 60 -5.620 -9.081 11.283 1.00 25.54 C ATOM 940 C GLU A 60 -5.935 -9.464 9.858 1.00 71.20 C ATOM 941 O GLU A 60 -6.267 -10.608 9.551 1.00 12.13 O ATOM 942 CB GLU A 60 -6.888 -9.231 12.120 1.00 53.34 C ATOM 943 CG GLU A 60 -6.719 -8.884 13.584 1.00 23.31 C ATOM 944 CD GLU A 60 -8.022 -9.007 14.339 1.00 42.41 C ATOM 945 OE1 GLU A 60 -8.411 -10.143 14.677 1.00 33.03 O ATOM 946 OE2 GLU A 60 -8.677 -7.972 14.577 1.00 20.10 O ATOM 0 H GLU A 60 -5.820 -7.005 11.036 1.00 4.32 H new ATOM 0 HA GLU A 60 -4.845 -9.729 11.692 1.00 25.54 H new ATOM 0 HB2 GLU A 60 -7.665 -8.595 11.696 1.00 53.34 H new ATOM 0 HB3 GLU A 60 -7.240 -10.260 12.042 1.00 53.34 H new ATOM 0 HG2 GLU A 60 -5.975 -9.543 14.031 1.00 23.31 H new ATOM 0 HG3 GLU A 60 -6.339 -7.866 13.676 1.00 23.31 H new ATOM 953 N VAL A 61 -5.796 -8.486 8.993 1.00 21.54 N ATOM 954 CA VAL A 61 -6.327 -8.560 7.653 1.00 4.42 C ATOM 955 C VAL A 61 -5.307 -9.131 6.684 1.00 45.44 C ATOM 956 O VAL A 61 -5.653 -9.702 5.644 1.00 44.41 O ATOM 957 CB VAL A 61 -6.751 -7.151 7.191 1.00 62.43 C ATOM 958 CG1 VAL A 61 -7.531 -6.456 8.295 1.00 54.15 C ATOM 959 CG2 VAL A 61 -5.548 -6.315 6.777 1.00 11.31 C ATOM 0 H VAL A 61 -5.310 -7.614 9.200 1.00 21.54 H new ATOM 0 HA VAL A 61 -7.191 -9.225 7.664 1.00 4.42 H new ATOM 0 HB VAL A 61 -7.392 -7.259 6.316 1.00 62.43 H new ATOM 0 HG11 VAL A 61 -7.827 -5.462 7.961 1.00 54.15 H new ATOM 0 HG12 VAL A 61 -8.421 -7.038 8.534 1.00 54.15 H new ATOM 0 HG13 VAL A 61 -6.905 -6.369 9.183 1.00 54.15 H new ATOM 0 HG21 VAL A 61 -5.883 -5.328 6.457 1.00 11.31 H new ATOM 0 HG22 VAL A 61 -4.869 -6.211 7.623 1.00 11.31 H new ATOM 0 HG23 VAL A 61 -5.029 -6.806 5.954 1.00 11.31 H new ATOM 969 N ASP A 62 -4.057 -9.016 7.063 1.00 54.33 N ATOM 970 CA ASP A 62 -2.973 -9.213 6.140 1.00 25.31 C ATOM 971 C ASP A 62 -1.992 -10.255 6.652 1.00 4.21 C ATOM 972 O ASP A 62 -1.480 -10.153 7.766 1.00 13.45 O ATOM 973 CB ASP A 62 -2.297 -7.864 5.923 1.00 25.30 C ATOM 974 CG ASP A 62 -1.017 -7.956 5.130 1.00 14.43 C ATOM 975 OD1 ASP A 62 -1.077 -7.988 3.887 1.00 2.32 O ATOM 976 OD2 ASP A 62 0.060 -7.934 5.750 1.00 54.30 O ATOM 0 H ASP A 62 -3.767 -8.785 8.013 1.00 54.33 H new ATOM 0 HA ASP A 62 -3.352 -9.594 5.192 1.00 25.31 H new ATOM 0 HB2 ASP A 62 -2.989 -7.198 5.407 1.00 25.30 H new ATOM 0 HB3 ASP A 62 -2.084 -7.413 6.892 1.00 25.30 H new ATOM 981 N LEU A 63 -1.773 -11.282 5.844 1.00 73.44 N ATOM 982 CA LEU A 63 -0.866 -12.365 6.206 1.00 3.34 C ATOM 983 C LEU A 63 0.338 -12.386 5.271 1.00 43.34 C ATOM 984 O LEU A 63 1.477 -12.261 5.705 1.00 35.42 O ATOM 985 CB LEU A 63 -1.586 -13.721 6.168 1.00 42.31 C ATOM 986 CG LEU A 63 -2.453 -14.059 7.394 1.00 42.23 C ATOM 987 CD1 LEU A 63 -3.633 -13.106 7.527 1.00 21.22 C ATOM 988 CD2 LEU A 63 -2.948 -15.493 7.305 1.00 30.22 C ATOM 0 H LEU A 63 -2.212 -11.390 4.930 1.00 73.44 H new ATOM 0 HA LEU A 63 -0.520 -12.188 7.224 1.00 3.34 H new ATOM 0 HB2 LEU A 63 -2.219 -13.749 5.281 1.00 42.31 H new ATOM 0 HB3 LEU A 63 -0.837 -14.504 6.050 1.00 42.31 H new ATOM 0 HG LEU A 63 -1.831 -13.945 8.282 1.00 42.23 H new ATOM 0 HD11 LEU A 63 -4.222 -13.376 8.404 1.00 21.22 H new ATOM 0 HD12 LEU A 63 -3.266 -12.086 7.637 1.00 21.22 H new ATOM 0 HD13 LEU A 63 -4.257 -13.173 6.636 1.00 21.22 H new ATOM 0 HD21 LEU A 63 -3.560 -15.721 8.177 1.00 30.22 H new ATOM 0 HD22 LEU A 63 -3.544 -15.617 6.401 1.00 30.22 H new ATOM 0 HD23 LEU A 63 -2.095 -16.171 7.273 1.00 30.22 H new ATOM 1000 N THR A 64 0.079 -12.553 3.981 1.00 32.22 N ATOM 1001 CA THR A 64 1.139 -12.541 2.980 1.00 73.44 C ATOM 1002 C THR A 64 0.764 -11.572 1.859 1.00 1.11 C ATOM 1003 O THR A 64 1.428 -11.472 0.816 1.00 72.02 O ATOM 1004 CB THR A 64 1.377 -13.961 2.422 1.00 35.21 C ATOM 1005 OG1 THR A 64 1.435 -14.900 3.504 1.00 0.13 O ATOM 1006 CG2 THR A 64 2.674 -14.038 1.627 1.00 71.11 C ATOM 0 H THR A 64 -0.857 -12.699 3.602 1.00 32.22 H new ATOM 0 HA THR A 64 2.068 -12.208 3.443 1.00 73.44 H new ATOM 0 HB THR A 64 0.549 -14.201 1.755 1.00 35.21 H new ATOM 0 HG1 THR A 64 0.657 -15.495 3.463 1.00 0.13 H new ATOM 0 HG21 THR A 64 2.810 -15.051 1.249 1.00 71.11 H new ATOM 0 HG22 THR A 64 2.629 -13.342 0.790 1.00 71.11 H new ATOM 0 HG23 THR A 64 3.512 -13.776 2.272 1.00 71.11 H new ATOM 1014 N ALA A 65 -0.304 -10.825 2.104 1.00 32.10 N ATOM 1015 CA ALA A 65 -0.788 -9.864 1.135 1.00 1.44 C ATOM 1016 C ALA A 65 0.194 -8.713 1.002 1.00 22.20 C ATOM 1017 O ALA A 65 0.165 -7.986 0.012 1.00 44.41 O ATOM 1018 CB ALA A 65 -2.169 -9.357 1.517 1.00 51.43 C ATOM 0 H ALA A 65 -0.848 -10.869 2.966 1.00 32.10 H new ATOM 0 HA ALA A 65 -0.872 -10.360 0.168 1.00 1.44 H new ATOM 0 HB1 ALA A 65 -2.511 -8.637 0.774 1.00 51.43 H new ATOM 0 HB2 ALA A 65 -2.866 -10.194 1.558 1.00 51.43 H new ATOM 0 HB3 ALA A 65 -2.123 -8.876 2.494 1.00 51.43 H new ATOM 1024 N LEU A 66 1.056 -8.546 2.009 1.00 0.35 N ATOM 1025 CA LEU A 66 2.137 -7.573 1.924 1.00 50.21 C ATOM 1026 C LEU A 66 3.245 -8.072 1.022 1.00 62.20 C ATOM 1027 O LEU A 66 3.951 -7.276 0.426 1.00 34.23 O ATOM 1028 CB LEU A 66 2.714 -7.152 3.300 1.00 11.43 C ATOM 1029 CG LEU A 66 3.433 -8.203 4.194 1.00 40.20 C ATOM 1030 CD1 LEU A 66 2.516 -9.353 4.572 1.00 34.54 C ATOM 1031 CD2 LEU A 66 4.702 -8.741 3.552 1.00 40.13 C ATOM 0 H LEU A 66 1.023 -9.069 2.884 1.00 0.35 H new ATOM 0 HA LEU A 66 1.690 -6.677 1.492 1.00 50.21 H new ATOM 0 HB2 LEU A 66 3.420 -6.341 3.122 1.00 11.43 H new ATOM 0 HB3 LEU A 66 1.892 -6.737 3.884 1.00 11.43 H new ATOM 0 HG LEU A 66 3.714 -7.673 5.104 1.00 40.20 H new ATOM 0 HD11 LEU A 66 3.060 -10.062 5.196 1.00 34.54 H new ATOM 0 HD12 LEU A 66 1.658 -8.968 5.123 1.00 34.54 H new ATOM 0 HD13 LEU A 66 2.171 -9.855 3.668 1.00 34.54 H new ATOM 0 HD21 LEU A 66 5.165 -9.470 4.217 1.00 40.13 H new ATOM 0 HD22 LEU A 66 4.456 -9.219 2.604 1.00 40.13 H new ATOM 0 HD23 LEU A 66 5.396 -7.920 3.375 1.00 40.13 H new ATOM 1043 N ASP A 67 3.419 -9.384 0.933 1.00 73.35 N ATOM 1044 CA ASP A 67 4.423 -9.924 0.038 1.00 41.25 C ATOM 1045 C ASP A 67 4.031 -9.523 -1.359 1.00 53.22 C ATOM 1046 O ASP A 67 4.813 -8.925 -2.093 1.00 43.31 O ATOM 1047 CB ASP A 67 4.532 -11.447 0.153 1.00 22.54 C ATOM 1048 CG ASP A 67 5.669 -12.016 -0.675 1.00 43.23 C ATOM 1049 OD1 ASP A 67 5.496 -12.183 -1.902 1.00 73.25 O ATOM 1050 OD2 ASP A 67 6.742 -12.312 -0.103 1.00 64.12 O ATOM 0 H ASP A 67 2.888 -10.078 1.459 1.00 73.35 H new ATOM 0 HA ASP A 67 5.404 -9.528 0.300 1.00 41.25 H new ATOM 0 HB2 ASP A 67 4.678 -11.719 1.198 1.00 22.54 H new ATOM 0 HB3 ASP A 67 3.593 -11.900 -0.166 1.00 22.54 H new ATOM 1055 N ALA A 68 2.778 -9.801 -1.691 1.00 14.30 N ATOM 1056 CA ALA A 68 2.218 -9.357 -2.955 1.00 54.03 C ATOM 1057 C ALA A 68 2.272 -7.828 -3.064 1.00 50.44 C ATOM 1058 O ALA A 68 2.791 -7.285 -4.039 1.00 70.14 O ATOM 1059 CB ALA A 68 0.786 -9.848 -3.098 1.00 24.51 C ATOM 0 H ALA A 68 2.134 -10.330 -1.103 1.00 14.30 H new ATOM 0 HA ALA A 68 2.815 -9.779 -3.763 1.00 54.03 H new ATOM 0 HB1 ALA A 68 0.378 -9.508 -4.050 1.00 24.51 H new ATOM 0 HB2 ALA A 68 0.770 -10.937 -3.065 1.00 24.51 H new ATOM 0 HB3 ALA A 68 0.182 -9.451 -2.282 1.00 24.51 H new ATOM 1065 N LEU A 69 1.757 -7.153 -2.036 1.00 21.51 N ATOM 1066 CA LEU A 69 1.674 -5.694 -2.010 1.00 54.14 C ATOM 1067 C LEU A 69 3.047 -5.061 -2.217 1.00 70.14 C ATOM 1068 O LEU A 69 3.298 -4.478 -3.268 1.00 74.52 O ATOM 1069 CB LEU A 69 1.043 -5.234 -0.677 1.00 73.23 C ATOM 1070 CG LEU A 69 0.716 -3.737 -0.523 1.00 61.52 C ATOM 1071 CD1 LEU A 69 1.919 -2.961 -0.011 1.00 61.53 C ATOM 1072 CD2 LEU A 69 0.223 -3.144 -1.836 1.00 31.43 C ATOM 0 H LEU A 69 1.386 -7.603 -1.199 1.00 21.51 H new ATOM 0 HA LEU A 69 1.039 -5.363 -2.832 1.00 54.14 H new ATOM 0 HB2 LEU A 69 0.121 -5.796 -0.530 1.00 73.23 H new ATOM 0 HB3 LEU A 69 1.720 -5.515 0.130 1.00 73.23 H new ATOM 0 HG LEU A 69 -0.084 -3.652 0.213 1.00 61.52 H new ATOM 0 HD11 LEU A 69 1.657 -1.907 0.087 1.00 61.53 H new ATOM 0 HD12 LEU A 69 2.218 -3.353 0.961 1.00 61.53 H new ATOM 0 HD13 LEU A 69 2.745 -3.065 -0.714 1.00 61.53 H new ATOM 0 HD21 LEU A 69 0.000 -2.086 -1.696 1.00 31.43 H new ATOM 0 HD22 LEU A 69 0.995 -3.255 -2.598 1.00 31.43 H new ATOM 0 HD23 LEU A 69 -0.679 -3.666 -2.155 1.00 31.43 H new ATOM 1084 N ASP A 70 3.926 -5.207 -1.228 1.00 25.41 N ATOM 1085 CA ASP A 70 5.231 -4.543 -1.224 1.00 54.31 C ATOM 1086 C ASP A 70 5.973 -4.822 -2.508 1.00 13.41 C ATOM 1087 O ASP A 70 6.378 -3.898 -3.201 1.00 13.22 O ATOM 1088 CB ASP A 70 6.093 -5.024 -0.059 1.00 53.43 C ATOM 1089 CG ASP A 70 7.165 -4.021 0.331 1.00 35.31 C ATOM 1090 OD1 ASP A 70 6.832 -3.014 1.000 1.00 43.55 O ATOM 1091 OD2 ASP A 70 8.340 -4.225 -0.025 1.00 34.44 O ATOM 0 H ASP A 70 3.756 -5.788 -0.407 1.00 25.41 H new ATOM 0 HA ASP A 70 5.046 -3.474 -1.122 1.00 54.31 H new ATOM 0 HB2 ASP A 70 5.455 -5.221 0.803 1.00 53.43 H new ATOM 0 HB3 ASP A 70 6.566 -5.969 -0.328 1.00 53.43 H new ATOM 1096 N GLN A 71 6.104 -6.108 -2.833 1.00 64.54 N ATOM 1097 CA GLN A 71 6.865 -6.539 -3.996 1.00 41.23 C ATOM 1098 C GLN A 71 6.463 -5.759 -5.247 1.00 63.42 C ATOM 1099 O GLN A 71 7.316 -5.149 -5.885 1.00 24.45 O ATOM 1100 CB GLN A 71 6.694 -8.052 -4.191 1.00 52.53 C ATOM 1101 CG GLN A 71 6.264 -8.479 -5.588 1.00 32.11 C ATOM 1102 CD GLN A 71 5.507 -9.795 -5.603 1.00 13.01 C ATOM 1103 OE1 GLN A 71 5.580 -10.554 -6.569 1.00 22.24 O ATOM 1104 NE2 GLN A 71 4.741 -10.061 -4.554 1.00 14.42 N ATOM 0 H GLN A 71 5.688 -6.872 -2.300 1.00 64.54 H new ATOM 0 HA GLN A 71 7.921 -6.328 -3.824 1.00 41.23 H new ATOM 0 HB2 GLN A 71 7.638 -8.542 -3.953 1.00 52.53 H new ATOM 0 HB3 GLN A 71 5.957 -8.414 -3.474 1.00 52.53 H new ATOM 0 HG2 GLN A 71 5.636 -7.701 -6.022 1.00 32.11 H new ATOM 0 HG3 GLN A 71 7.146 -8.567 -6.222 1.00 32.11 H new ATOM 0 HE21 GLN A 71 4.705 -9.409 -3.770 1.00 14.42 H new ATOM 0 HE22 GLN A 71 4.188 -10.918 -4.530 1.00 14.42 H new ATOM 1113 N LEU A 72 5.171 -5.724 -5.572 1.00 74.33 N ATOM 1114 CA LEU A 72 4.750 -5.094 -6.813 1.00 24.42 C ATOM 1115 C LEU A 72 4.601 -3.583 -6.664 1.00 52.23 C ATOM 1116 O LEU A 72 4.829 -2.844 -7.611 1.00 22.22 O ATOM 1117 CB LEU A 72 3.466 -5.738 -7.370 1.00 75.02 C ATOM 1118 CG LEU A 72 2.209 -5.676 -6.491 1.00 25.43 C ATOM 1119 CD1 LEU A 72 1.503 -4.332 -6.628 1.00 40.54 C ATOM 1120 CD2 LEU A 72 1.263 -6.810 -6.854 1.00 45.43 C ATOM 0 H LEU A 72 4.418 -6.115 -5.006 1.00 74.33 H new ATOM 0 HA LEU A 72 5.542 -5.266 -7.541 1.00 24.42 H new ATOM 0 HB2 LEU A 72 3.235 -5.261 -8.323 1.00 75.02 H new ATOM 0 HB3 LEU A 72 3.679 -6.786 -7.581 1.00 75.02 H new ATOM 0 HG LEU A 72 2.516 -5.786 -5.451 1.00 25.43 H new ATOM 0 HD11 LEU A 72 0.617 -4.320 -5.993 1.00 40.54 H new ATOM 0 HD12 LEU A 72 2.179 -3.533 -6.323 1.00 40.54 H new ATOM 0 HD13 LEU A 72 1.208 -4.180 -7.666 1.00 40.54 H new ATOM 0 HD21 LEU A 72 0.374 -6.758 -6.225 1.00 45.43 H new ATOM 0 HD22 LEU A 72 0.973 -6.721 -7.901 1.00 45.43 H new ATOM 0 HD23 LEU A 72 1.763 -7.766 -6.697 1.00 45.43 H new ATOM 1132 N ARG A 73 4.250 -3.103 -5.478 1.00 72.34 N ATOM 1133 CA ARG A 73 4.051 -1.671 -5.310 1.00 20.34 C ATOM 1134 C ARG A 73 5.390 -0.954 -5.165 1.00 53.31 C ATOM 1135 O ARG A 73 5.489 0.227 -5.465 1.00 5.43 O ATOM 1136 CB ARG A 73 3.107 -1.356 -4.134 1.00 45.12 C ATOM 1137 CG ARG A 73 3.672 -1.663 -2.758 1.00 44.13 C ATOM 1138 CD ARG A 73 4.459 -0.501 -2.196 1.00 71.12 C ATOM 1139 NE ARG A 73 5.465 -0.950 -1.245 1.00 51.10 N ATOM 1140 CZ ARG A 73 6.597 -0.304 -1.020 1.00 2.24 C ATOM 1141 NH1 ARG A 73 6.821 0.858 -1.606 1.00 11.32 N ATOM 1142 NH2 ARG A 73 7.508 -0.817 -0.219 1.00 4.30 N ATOM 0 H ARG A 73 4.101 -3.666 -4.641 1.00 72.34 H new ATOM 0 HA ARG A 73 3.564 -1.296 -6.210 1.00 20.34 H new ATOM 0 HB2 ARG A 73 2.841 -0.300 -4.174 1.00 45.12 H new ATOM 0 HB3 ARG A 73 2.185 -1.922 -4.266 1.00 45.12 H new ATOM 0 HG2 ARG A 73 2.857 -1.911 -2.078 1.00 44.13 H new ATOM 0 HG3 ARG A 73 4.315 -2.541 -2.818 1.00 44.13 H new ATOM 0 HD2 ARG A 73 4.942 0.041 -3.010 1.00 71.12 H new ATOM 0 HD3 ARG A 73 3.780 0.197 -1.707 1.00 71.12 H new ATOM 0 HE ARG A 73 5.288 -1.809 -0.724 1.00 51.10 H new ATOM 0 HH11 ARG A 73 6.121 1.257 -2.232 1.00 11.32 H new ATOM 0 HH12 ARG A 73 7.694 1.357 -1.433 1.00 11.32 H new ATOM 0 HH21 ARG A 73 7.342 -1.717 0.232 1.00 4.30 H new ATOM 0 HH22 ARG A 73 8.379 -0.314 -0.049 1.00 4.30 H new ATOM 1156 N THR A 74 6.422 -1.668 -4.713 1.00 42.45 N ATOM 1157 CA THR A 74 7.756 -1.083 -4.619 1.00 10.52 C ATOM 1158 C THR A 74 8.507 -1.283 -5.928 1.00 24.20 C ATOM 1159 O THR A 74 9.367 -0.481 -6.295 1.00 24.42 O ATOM 1160 CB THR A 74 8.601 -1.665 -3.457 1.00 21.03 C ATOM 1161 OG1 THR A 74 9.693 -0.784 -3.170 1.00 51.45 O ATOM 1162 CG2 THR A 74 9.163 -3.038 -3.802 1.00 45.43 C ATOM 0 H THR A 74 6.360 -2.640 -4.410 1.00 42.45 H new ATOM 0 HA THR A 74 7.610 -0.022 -4.415 1.00 10.52 H new ATOM 0 HB THR A 74 7.946 -1.765 -2.591 1.00 21.03 H new ATOM 0 HG1 THR A 74 9.353 0.032 -2.747 1.00 51.45 H new ATOM 0 HG21 THR A 74 9.749 -3.413 -2.963 1.00 45.43 H new ATOM 0 HG22 THR A 74 8.343 -3.726 -4.007 1.00 45.43 H new ATOM 0 HG23 THR A 74 9.800 -2.960 -4.683 1.00 45.43 H new ATOM 1170 N GLU A 75 8.176 -2.351 -6.642 1.00 34.30 N ATOM 1171 CA GLU A 75 8.804 -2.608 -7.918 1.00 21.11 C ATOM 1172 C GLU A 75 8.167 -1.720 -8.979 1.00 32.34 C ATOM 1173 O GLU A 75 8.724 -1.519 -10.051 1.00 53.54 O ATOM 1174 CB GLU A 75 8.715 -4.091 -8.288 1.00 74.11 C ATOM 1175 CG GLU A 75 7.430 -4.502 -8.982 1.00 72.02 C ATOM 1176 CD GLU A 75 7.558 -5.845 -9.669 1.00 44.31 C ATOM 1177 OE1 GLU A 75 7.896 -6.838 -8.989 1.00 55.01 O ATOM 1178 OE2 GLU A 75 7.330 -5.912 -10.894 1.00 2.12 O ATOM 0 H GLU A 75 7.483 -3.043 -6.358 1.00 34.30 H new ATOM 0 HA GLU A 75 9.865 -2.366 -7.854 1.00 21.11 H new ATOM 0 HB2 GLU A 75 9.556 -4.340 -8.936 1.00 74.11 H new ATOM 0 HB3 GLU A 75 8.826 -4.684 -7.380 1.00 74.11 H new ATOM 0 HG2 GLU A 75 6.622 -4.544 -8.252 1.00 72.02 H new ATOM 0 HG3 GLU A 75 7.157 -3.744 -9.716 1.00 72.02 H new ATOM 1185 N LEU A 76 6.994 -1.185 -8.649 1.00 1.34 N ATOM 1186 CA LEU A 76 6.351 -0.164 -9.465 1.00 3.53 C ATOM 1187 C LEU A 76 6.678 1.226 -8.918 1.00 33.11 C ATOM 1188 O LEU A 76 6.633 2.219 -9.642 1.00 2.45 O ATOM 1189 CB LEU A 76 4.832 -0.379 -9.516 1.00 43.33 C ATOM 1190 CG LEU A 76 4.321 -1.301 -10.637 1.00 72.33 C ATOM 1191 CD1 LEU A 76 5.095 -2.610 -10.682 1.00 44.45 C ATOM 1192 CD2 LEU A 76 2.841 -1.583 -10.448 1.00 1.34 C ATOM 0 H LEU A 76 6.468 -1.446 -7.815 1.00 1.34 H new ATOM 0 HA LEU A 76 6.735 -0.242 -10.482 1.00 3.53 H new ATOM 0 HB2 LEU A 76 4.510 -0.790 -8.559 1.00 43.33 H new ATOM 0 HB3 LEU A 76 4.350 0.593 -9.624 1.00 43.33 H new ATOM 0 HG LEU A 76 4.475 -0.786 -11.585 1.00 72.33 H new ATOM 0 HD11 LEU A 76 4.706 -3.235 -11.486 1.00 44.45 H new ATOM 0 HD12 LEU A 76 6.150 -2.403 -10.861 1.00 44.45 H new ATOM 0 HD13 LEU A 76 4.984 -3.131 -9.731 1.00 44.45 H new ATOM 0 HD21 LEU A 76 2.490 -2.236 -11.247 1.00 1.34 H new ATOM 0 HD22 LEU A 76 2.683 -2.070 -9.486 1.00 1.34 H new ATOM 0 HD23 LEU A 76 2.286 -0.646 -10.476 1.00 1.34 H new ATOM 1204 N LEU A 77 7.027 1.285 -7.634 1.00 21.42 N ATOM 1205 CA LEU A 77 7.456 2.535 -7.011 1.00 21.40 C ATOM 1206 C LEU A 77 8.806 2.939 -7.574 1.00 33.41 C ATOM 1207 O LEU A 77 9.116 4.119 -7.711 1.00 65.45 O ATOM 1208 CB LEU A 77 7.528 2.380 -5.485 1.00 21.41 C ATOM 1209 CG LEU A 77 7.631 3.680 -4.683 1.00 33.11 C ATOM 1210 CD1 LEU A 77 7.116 3.462 -3.271 1.00 34.23 C ATOM 1211 CD2 LEU A 77 9.064 4.187 -4.630 1.00 53.32 C ATOM 0 H LEU A 77 7.021 0.482 -7.005 1.00 21.42 H new ATOM 0 HA LEU A 77 6.729 3.316 -7.233 1.00 21.40 H new ATOM 0 HB2 LEU A 77 6.641 1.840 -5.152 1.00 21.41 H new ATOM 0 HB3 LEU A 77 8.390 1.758 -5.243 1.00 21.41 H new ATOM 0 HG LEU A 77 7.021 4.431 -5.185 1.00 33.11 H new ATOM 0 HD11 LEU A 77 7.193 4.392 -2.708 1.00 34.23 H new ATOM 0 HD12 LEU A 77 6.073 3.146 -3.309 1.00 34.23 H new ATOM 0 HD13 LEU A 77 7.711 2.691 -2.782 1.00 34.23 H new ATOM 0 HD21 LEU A 77 9.102 5.111 -4.053 1.00 53.32 H new ATOM 0 HD22 LEU A 77 9.698 3.437 -4.156 1.00 53.32 H new ATOM 0 HD23 LEU A 77 9.421 4.376 -5.642 1.00 53.32 H new ATOM 1223 N ARG A 78 9.597 1.938 -7.920 1.00 64.50 N ATOM 1224 CA ARG A 78 10.894 2.163 -8.528 1.00 63.45 C ATOM 1225 C ARG A 78 10.727 2.464 -10.023 1.00 55.35 C ATOM 1226 O ARG A 78 11.688 2.416 -10.788 1.00 42.33 O ATOM 1227 CB ARG A 78 11.785 0.930 -8.314 1.00 71.31 C ATOM 1228 CG ARG A 78 11.377 -0.266 -9.163 1.00 74.42 C ATOM 1229 CD ARG A 78 12.223 -1.496 -8.877 1.00 2.23 C ATOM 1230 NE ARG A 78 13.646 -1.278 -9.148 1.00 4.33 N ATOM 1231 CZ ARG A 78 14.469 -2.222 -9.615 1.00 1.42 C ATOM 1232 NH1 ARG A 78 14.000 -3.426 -9.920 1.00 71.44 N ATOM 1233 NH2 ARG A 78 15.762 -1.953 -9.785 1.00 65.54 N ATOM 0 H ARG A 78 9.360 0.955 -7.788 1.00 64.50 H new ATOM 0 HA ARG A 78 11.372 3.023 -8.058 1.00 63.45 H new ATOM 0 HB2 ARG A 78 12.818 1.193 -8.543 1.00 71.31 H new ATOM 0 HB3 ARG A 78 11.754 0.647 -7.262 1.00 71.31 H new ATOM 0 HG2 ARG A 78 10.328 -0.499 -8.978 1.00 74.42 H new ATOM 0 HG3 ARG A 78 11.464 -0.006 -10.218 1.00 74.42 H new ATOM 0 HD2 ARG A 78 12.096 -1.785 -7.834 1.00 2.23 H new ATOM 0 HD3 ARG A 78 11.865 -2.328 -9.484 1.00 2.23 H new ATOM 0 HE ARG A 78 14.032 -0.351 -8.970 1.00 4.33 H new ATOM 0 HH11 ARG A 78 13.009 -3.633 -9.798 1.00 71.44 H new ATOM 0 HH12 ARG A 78 14.631 -4.144 -10.276 1.00 71.44 H new ATOM 0 HH21 ARG A 78 16.124 -1.027 -9.559 1.00 65.54 H new ATOM 0 HH22 ARG A 78 16.390 -2.673 -10.141 1.00 65.54 H new ATOM 1247 N ARG A 79 9.491 2.766 -10.426 1.00 75.12 N ATOM 1248 CA ARG A 79 9.188 3.093 -11.813 1.00 41.44 C ATOM 1249 C ARG A 79 8.660 4.524 -11.904 1.00 53.33 C ATOM 1250 O ARG A 79 9.279 5.382 -12.533 1.00 3.42 O ATOM 1251 CB ARG A 79 8.140 2.132 -12.394 1.00 74.43 C ATOM 1252 CG ARG A 79 8.371 0.670 -12.052 1.00 51.43 C ATOM 1253 CD ARG A 79 9.650 0.129 -12.664 1.00 54.44 C ATOM 1254 NE ARG A 79 9.506 -0.128 -14.096 1.00 54.10 N ATOM 1255 CZ ARG A 79 10.524 -0.153 -14.952 1.00 25.13 C ATOM 1256 NH1 ARG A 79 11.753 0.115 -14.531 1.00 35.25 N ATOM 1257 NH2 ARG A 79 10.313 -0.443 -16.227 1.00 63.15 N ATOM 0 H ARG A 79 8.683 2.790 -9.804 1.00 75.12 H new ATOM 0 HA ARG A 79 10.108 2.996 -12.390 1.00 41.44 H new ATOM 0 HB2 ARG A 79 7.155 2.426 -12.032 1.00 74.43 H new ATOM 0 HB3 ARG A 79 8.126 2.241 -13.478 1.00 74.43 H new ATOM 0 HG2 ARG A 79 8.412 0.555 -10.969 1.00 51.43 H new ATOM 0 HG3 ARG A 79 7.525 0.079 -12.403 1.00 51.43 H new ATOM 0 HD2 ARG A 79 10.459 0.842 -12.503 1.00 54.44 H new ATOM 0 HD3 ARG A 79 9.933 -0.793 -12.157 1.00 54.44 H new ATOM 0 HE ARG A 79 8.569 -0.298 -14.461 1.00 54.10 H new ATOM 0 HH11 ARG A 79 11.918 0.341 -13.550 1.00 35.25 H new ATOM 0 HH12 ARG A 79 12.533 0.096 -15.188 1.00 35.25 H new ATOM 0 HH21 ARG A 79 9.369 -0.648 -16.554 1.00 63.15 H new ATOM 0 HH22 ARG A 79 11.095 -0.462 -16.882 1.00 63.15 H new ATOM 1271 N GLY A 80 7.517 4.772 -11.259 1.00 30.14 N ATOM 1272 CA GLY A 80 6.891 6.087 -11.309 1.00 45.42 C ATOM 1273 C GLY A 80 6.813 6.747 -9.945 1.00 40.24 C ATOM 1274 O GLY A 80 7.471 6.309 -9.004 1.00 64.12 O ATOM 0 H GLY A 80 7.013 4.083 -10.701 1.00 30.14 H new ATOM 0 HA2 GLY A 80 7.454 6.728 -11.987 1.00 45.42 H new ATOM 0 HA3 GLY A 80 5.886 5.992 -11.721 1.00 45.42 H new ATOM 1278 N ILE A 81 6.002 7.796 -9.830 1.00 12.32 N ATOM 1279 CA ILE A 81 5.896 8.543 -8.580 1.00 42.21 C ATOM 1280 C ILE A 81 4.826 7.944 -7.656 1.00 44.44 C ATOM 1281 O ILE A 81 3.615 8.089 -7.870 1.00 4.11 O ATOM 1282 CB ILE A 81 5.637 10.056 -8.835 1.00 45.23 C ATOM 1283 CG1 ILE A 81 5.402 10.807 -7.520 1.00 32.33 C ATOM 1284 CG2 ILE A 81 4.473 10.269 -9.790 1.00 24.40 C ATOM 1285 CD1 ILE A 81 6.616 10.853 -6.618 1.00 23.10 C ATOM 0 H ILE A 81 5.411 8.147 -10.584 1.00 12.32 H new ATOM 0 HA ILE A 81 6.857 8.457 -8.072 1.00 42.21 H new ATOM 0 HB ILE A 81 6.533 10.463 -9.304 1.00 45.23 H new ATOM 0 HG12 ILE A 81 5.090 11.827 -7.746 1.00 32.33 H new ATOM 0 HG13 ILE A 81 4.580 10.333 -6.984 1.00 32.33 H new ATOM 0 HG21 ILE A 81 4.320 11.337 -9.945 1.00 24.40 H new ATOM 0 HG22 ILE A 81 4.694 9.791 -10.745 1.00 24.40 H new ATOM 0 HG23 ILE A 81 3.569 9.831 -9.366 1.00 24.40 H new ATOM 0 HD11 ILE A 81 6.372 11.401 -5.708 1.00 23.10 H new ATOM 0 HD12 ILE A 81 6.917 9.837 -6.361 1.00 23.10 H new ATOM 0 HD13 ILE A 81 7.434 11.354 -7.135 1.00 23.10 H new ATOM 1297 N VAL A 82 5.300 7.247 -6.635 1.00 12.43 N ATOM 1298 CA VAL A 82 4.439 6.562 -5.686 1.00 74.23 C ATOM 1299 C VAL A 82 5.207 6.308 -4.390 1.00 51.11 C ATOM 1300 O VAL A 82 6.434 6.307 -4.398 1.00 55.52 O ATOM 1301 CB VAL A 82 3.897 5.236 -6.295 1.00 42.42 C ATOM 1302 CG1 VAL A 82 4.977 4.521 -7.082 1.00 23.51 C ATOM 1303 CG2 VAL A 82 3.327 4.305 -5.232 1.00 63.24 C ATOM 0 H VAL A 82 6.296 7.141 -6.441 1.00 12.43 H new ATOM 0 HA VAL A 82 3.578 7.192 -5.460 1.00 74.23 H new ATOM 0 HB VAL A 82 3.085 5.509 -6.969 1.00 42.42 H new ATOM 0 HG11 VAL A 82 4.574 3.598 -7.497 1.00 23.51 H new ATOM 0 HG12 VAL A 82 5.322 5.163 -7.892 1.00 23.51 H new ATOM 0 HG13 VAL A 82 5.813 4.287 -6.423 1.00 23.51 H new ATOM 0 HG21 VAL A 82 2.961 3.394 -5.705 1.00 63.24 H new ATOM 0 HG22 VAL A 82 4.107 4.053 -4.513 1.00 63.24 H new ATOM 0 HG23 VAL A 82 2.505 4.801 -4.717 1.00 63.24 H new ATOM 1313 N PHE A 83 4.491 6.158 -3.275 1.00 62.40 N ATOM 1314 CA PHE A 83 5.122 5.859 -1.988 1.00 41.15 C ATOM 1315 C PHE A 83 4.293 4.849 -1.182 1.00 73.43 C ATOM 1316 O PHE A 83 3.363 4.236 -1.707 1.00 51.40 O ATOM 1317 CB PHE A 83 5.322 7.140 -1.174 1.00 21.10 C ATOM 1318 CG PHE A 83 6.323 8.095 -1.762 1.00 64.21 C ATOM 1319 CD1 PHE A 83 7.681 7.845 -1.658 1.00 41.12 C ATOM 1320 CD2 PHE A 83 5.906 9.244 -2.417 1.00 73.22 C ATOM 1321 CE1 PHE A 83 8.605 8.720 -2.196 1.00 32.11 C ATOM 1322 CE2 PHE A 83 6.824 10.124 -2.955 1.00 42.41 C ATOM 1323 CZ PHE A 83 8.177 9.861 -2.846 1.00 41.33 C ATOM 0 H PHE A 83 3.475 6.238 -3.237 1.00 62.40 H new ATOM 0 HA PHE A 83 6.096 5.415 -2.194 1.00 41.15 H new ATOM 0 HB2 PHE A 83 4.363 7.650 -1.079 1.00 21.10 H new ATOM 0 HB3 PHE A 83 5.642 6.871 -0.167 1.00 21.10 H new ATOM 0 HD1 PHE A 83 8.022 6.955 -1.150 1.00 41.12 H new ATOM 0 HD2 PHE A 83 4.850 9.453 -2.507 1.00 73.22 H new ATOM 0 HE1 PHE A 83 9.661 8.512 -2.108 1.00 32.11 H new ATOM 0 HE2 PHE A 83 6.486 11.017 -3.460 1.00 42.41 H new ATOM 0 HZ PHE A 83 8.897 10.546 -3.268 1.00 41.33 H new ATOM 1333 N ALA A 84 4.643 4.668 0.092 1.00 21.21 N ATOM 1334 CA ALA A 84 3.937 3.722 0.955 1.00 3.31 C ATOM 1335 C ALA A 84 4.176 4.023 2.434 1.00 13.21 C ATOM 1336 O ALA A 84 5.296 4.348 2.838 1.00 12.01 O ATOM 1337 CB ALA A 84 4.369 2.298 0.643 1.00 41.20 C ATOM 0 H ALA A 84 5.409 5.163 0.548 1.00 21.21 H new ATOM 0 HA ALA A 84 2.871 3.829 0.756 1.00 3.31 H new ATOM 0 HB1 ALA A 84 3.835 1.605 1.293 1.00 41.20 H new ATOM 0 HB2 ALA A 84 4.141 2.068 -0.398 1.00 41.20 H new ATOM 0 HB3 ALA A 84 5.442 2.198 0.809 1.00 41.20 H new ATOM 1343 N MET A 85 3.121 3.912 3.240 1.00 33.40 N ATOM 1344 CA MET A 85 3.230 4.133 4.681 1.00 44.55 C ATOM 1345 C MET A 85 2.268 3.249 5.470 1.00 0.22 C ATOM 1346 O MET A 85 1.137 2.992 5.046 1.00 60.35 O ATOM 1347 CB MET A 85 2.969 5.594 5.040 1.00 10.24 C ATOM 1348 CG MET A 85 1.668 6.139 4.477 1.00 63.11 C ATOM 1349 SD MET A 85 0.815 7.222 5.635 1.00 14.24 S ATOM 1350 CE MET A 85 0.141 6.010 6.770 1.00 73.13 C ATOM 0 H MET A 85 2.183 3.671 2.920 1.00 33.40 H new ATOM 0 HA MET A 85 4.252 3.869 4.954 1.00 44.55 H new ATOM 0 HB2 MET A 85 2.955 5.695 6.125 1.00 10.24 H new ATOM 0 HB3 MET A 85 3.796 6.202 4.673 1.00 10.24 H new ATOM 0 HG2 MET A 85 1.875 6.687 3.558 1.00 63.11 H new ATOM 0 HG3 MET A 85 1.014 5.308 4.213 1.00 63.11 H new ATOM 0 HE1 MET A 85 -0.848 6.330 7.099 1.00 73.13 H new ATOM 0 HE2 MET A 85 0.062 5.046 6.268 1.00 73.13 H new ATOM 0 HE3 MET A 85 0.798 5.916 7.635 1.00 73.13 H new ATOM 1360 N ALA A 86 2.718 2.814 6.636 1.00 14.12 N ATOM 1361 CA ALA A 86 1.918 1.973 7.503 1.00 1.22 C ATOM 1362 C ALA A 86 1.620 2.665 8.828 1.00 71.32 C ATOM 1363 O ALA A 86 2.040 3.803 9.053 1.00 32.32 O ATOM 1364 CB ALA A 86 2.627 0.652 7.749 1.00 4.42 C ATOM 0 H ALA A 86 3.643 3.034 7.004 1.00 14.12 H new ATOM 0 HA ALA A 86 0.968 1.783 7.004 1.00 1.22 H new ATOM 0 HB1 ALA A 86 2.017 0.028 8.402 1.00 4.42 H new ATOM 0 HB2 ALA A 86 2.783 0.140 6.799 1.00 4.42 H new ATOM 0 HB3 ALA A 86 3.591 0.839 8.223 1.00 4.42 H new ATOM 1370 N ARG A 87 0.873 1.980 9.689 1.00 41.22 N ATOM 1371 CA ARG A 87 0.563 2.491 11.022 1.00 41.12 C ATOM 1372 C ARG A 87 0.601 1.369 12.062 1.00 31.23 C ATOM 1373 O ARG A 87 0.552 1.625 13.265 1.00 60.32 O ATOM 1374 CB ARG A 87 -0.825 3.145 11.047 1.00 32.45 C ATOM 1375 CG ARG A 87 -1.976 2.145 10.960 1.00 74.21 C ATOM 1376 CD ARG A 87 -3.333 2.825 11.061 1.00 4.15 C ATOM 1377 NE ARG A 87 -3.605 3.704 9.924 1.00 64.11 N ATOM 1378 CZ ARG A 87 -4.221 4.882 10.024 1.00 13.45 C ATOM 1379 NH1 ARG A 87 -4.677 5.301 11.196 1.00 72.43 N ATOM 1380 NH2 ARG A 87 -4.424 5.621 8.941 1.00 32.15 N ATOM 0 H ARG A 87 0.469 1.065 9.487 1.00 41.22 H new ATOM 0 HA ARG A 87 1.320 3.236 11.268 1.00 41.12 H new ATOM 0 HB2 ARG A 87 -0.927 3.725 11.964 1.00 32.45 H new ATOM 0 HB3 ARG A 87 -0.901 3.847 10.216 1.00 32.45 H new ATOM 0 HG2 ARG A 87 -1.913 1.601 10.018 1.00 74.21 H new ATOM 0 HG3 ARG A 87 -1.879 1.410 11.759 1.00 74.21 H new ATOM 0 HD2 ARG A 87 -4.113 2.066 11.124 1.00 4.15 H new ATOM 0 HD3 ARG A 87 -3.378 3.405 11.983 1.00 4.15 H new ATOM 0 HE ARG A 87 -3.305 3.397 8.999 1.00 64.11 H new ATOM 0 HH11 ARG A 87 -4.557 4.721 12.027 1.00 72.43 H new ATOM 0 HH12 ARG A 87 -5.148 6.203 11.267 1.00 72.43 H new ATOM 0 HH21 ARG A 87 -4.109 5.288 8.030 1.00 32.15 H new ATOM 0 HH22 ARG A 87 -4.896 6.522 9.019 1.00 32.15 H new ATOM 1394 N VAL A 88 0.696 0.129 11.596 1.00 35.32 N ATOM 1395 CA VAL A 88 0.504 -1.017 12.469 1.00 31.33 C ATOM 1396 C VAL A 88 1.811 -1.748 12.755 1.00 73.53 C ATOM 1397 O VAL A 88 2.800 -1.593 12.035 1.00 63.53 O ATOM 1398 CB VAL A 88 -0.512 -2.005 11.868 1.00 12.33 C ATOM 1399 CG1 VAL A 88 -1.828 -1.304 11.578 1.00 62.21 C ATOM 1400 CG2 VAL A 88 0.040 -2.649 10.612 1.00 63.30 C ATOM 0 H VAL A 88 0.903 -0.105 10.625 1.00 35.32 H new ATOM 0 HA VAL A 88 0.118 -0.627 13.411 1.00 31.33 H new ATOM 0 HB VAL A 88 -0.695 -2.793 12.599 1.00 12.33 H new ATOM 0 HG11 VAL A 88 -2.534 -2.017 11.154 1.00 62.21 H new ATOM 0 HG12 VAL A 88 -2.235 -0.897 12.504 1.00 62.21 H new ATOM 0 HG13 VAL A 88 -1.660 -0.494 10.868 1.00 62.21 H new ATOM 0 HG21 VAL A 88 -0.696 -3.343 10.206 1.00 63.30 H new ATOM 0 HG22 VAL A 88 0.258 -1.878 9.873 1.00 63.30 H new ATOM 0 HG23 VAL A 88 0.955 -3.190 10.853 1.00 63.30 H new ATOM 1410 N LYS A 89 1.788 -2.576 13.791 1.00 12.01 N ATOM 1411 CA LYS A 89 2.977 -3.280 14.257 1.00 1.53 C ATOM 1412 C LYS A 89 3.287 -4.523 13.421 1.00 34.14 C ATOM 1413 O LYS A 89 4.276 -5.210 13.676 1.00 54.03 O ATOM 1414 CB LYS A 89 2.809 -3.658 15.739 1.00 24.14 C ATOM 1415 CG LYS A 89 1.506 -4.390 16.048 1.00 24.30 C ATOM 1416 CD LYS A 89 1.578 -5.874 15.712 1.00 41.33 C ATOM 1417 CE LYS A 89 0.207 -6.439 15.364 1.00 33.03 C ATOM 1418 NZ LYS A 89 -0.827 -6.082 16.371 1.00 24.35 N ATOM 0 H LYS A 89 0.947 -2.779 14.331 1.00 12.01 H new ATOM 0 HA LYS A 89 3.825 -2.604 14.143 1.00 1.53 H new ATOM 0 HB2 LYS A 89 3.647 -4.286 16.041 1.00 24.14 H new ATOM 0 HB3 LYS A 89 2.857 -2.752 16.342 1.00 24.14 H new ATOM 0 HG2 LYS A 89 1.268 -4.271 17.105 1.00 24.30 H new ATOM 0 HG3 LYS A 89 0.693 -3.932 15.485 1.00 24.30 H new ATOM 0 HD2 LYS A 89 2.258 -6.025 14.873 1.00 41.33 H new ATOM 0 HD3 LYS A 89 1.992 -6.420 16.560 1.00 41.33 H new ATOM 0 HE2 LYS A 89 -0.099 -6.067 14.386 1.00 33.03 H new ATOM 0 HE3 LYS A 89 0.274 -7.524 15.285 1.00 33.03 H new ATOM 0 HZ1 LYS A 89 -1.695 -6.624 16.184 1.00 24.35 H new ATOM 0 HZ2 LYS A 89 -0.476 -6.308 17.324 1.00 24.35 H new ATOM 0 HZ3 LYS A 89 -1.034 -5.065 16.310 1.00 24.35 H new ATOM 1432 N GLN A 90 2.458 -4.825 12.426 1.00 62.30 N ATOM 1433 CA GLN A 90 2.700 -6.005 11.601 1.00 4.44 C ATOM 1434 C GLN A 90 3.333 -5.632 10.265 1.00 24.51 C ATOM 1435 O GLN A 90 4.171 -6.366 9.747 1.00 43.35 O ATOM 1436 CB GLN A 90 1.411 -6.806 11.368 1.00 4.15 C ATOM 1437 CG GLN A 90 0.346 -6.084 10.557 1.00 14.43 C ATOM 1438 CD GLN A 90 -0.236 -6.964 9.469 1.00 22.32 C ATOM 1439 OE1 GLN A 90 -1.204 -7.691 9.688 1.00 45.41 O ATOM 1440 NE2 GLN A 90 0.357 -6.902 8.286 1.00 72.33 N ATOM 0 H GLN A 90 1.631 -4.283 12.175 1.00 62.30 H new ATOM 0 HA GLN A 90 3.400 -6.635 12.150 1.00 4.44 H new ATOM 0 HB2 GLN A 90 1.665 -7.736 10.860 1.00 4.15 H new ATOM 0 HB3 GLN A 90 0.989 -7.077 12.336 1.00 4.15 H new ATOM 0 HG2 GLN A 90 -0.453 -5.753 11.221 1.00 14.43 H new ATOM 0 HG3 GLN A 90 0.778 -5.190 10.107 1.00 14.43 H new ATOM 0 HE21 GLN A 90 1.157 -6.285 8.148 1.00 72.33 H new ATOM 0 HE22 GLN A 90 0.013 -7.471 7.513 1.00 72.33 H new ATOM 1449 N ASP A 91 2.952 -4.479 9.726 1.00 44.21 N ATOM 1450 CA ASP A 91 3.399 -4.064 8.397 1.00 40.25 C ATOM 1451 C ASP A 91 4.913 -3.986 8.306 1.00 52.24 C ATOM 1452 O ASP A 91 5.493 -4.447 7.326 1.00 21.53 O ATOM 1453 CB ASP A 91 2.777 -2.728 7.999 1.00 12.51 C ATOM 1454 CG ASP A 91 1.442 -2.904 7.301 1.00 33.50 C ATOM 1455 OD1 ASP A 91 0.664 -3.783 7.715 1.00 24.44 O ATOM 1456 OD2 ASP A 91 1.173 -2.178 6.323 1.00 1.34 O ATOM 0 H ASP A 91 2.334 -3.813 10.188 1.00 44.21 H new ATOM 0 HA ASP A 91 3.061 -4.829 7.697 1.00 40.25 H new ATOM 0 HB2 ASP A 91 2.642 -2.113 8.888 1.00 12.51 H new ATOM 0 HB3 ASP A 91 3.461 -2.192 7.341 1.00 12.51 H new ATOM 1461 N LEU A 92 5.560 -3.417 9.318 1.00 14.44 N ATOM 1462 CA LEU A 92 7.017 -3.339 9.304 1.00 52.44 C ATOM 1463 C LEU A 92 7.621 -4.735 9.340 1.00 34.11 C ATOM 1464 O LEU A 92 8.489 -5.051 8.545 1.00 52.25 O ATOM 1465 CB LEU A 92 7.579 -2.484 10.454 1.00 44.24 C ATOM 1466 CG LEU A 92 7.467 -3.066 11.869 1.00 72.32 C ATOM 1467 CD1 LEU A 92 8.438 -2.366 12.806 1.00 0.05 C ATOM 1468 CD2 LEU A 92 6.050 -2.929 12.396 1.00 4.31 C ATOM 0 H LEU A 92 5.112 -3.012 10.140 1.00 14.44 H new ATOM 0 HA LEU A 92 7.299 -2.844 8.375 1.00 52.44 H new ATOM 0 HB2 LEU A 92 8.632 -2.290 10.249 1.00 44.24 H new ATOM 0 HB3 LEU A 92 7.069 -1.521 10.442 1.00 44.24 H new ATOM 0 HG LEU A 92 7.719 -4.125 11.822 1.00 72.32 H new ATOM 0 HD11 LEU A 92 8.347 -2.789 13.806 1.00 0.05 H new ATOM 0 HD12 LEU A 92 9.457 -2.505 12.444 1.00 0.05 H new ATOM 0 HD13 LEU A 92 8.207 -1.301 12.840 1.00 0.05 H new ATOM 0 HD21 LEU A 92 5.993 -3.348 13.401 1.00 4.31 H new ATOM 0 HD22 LEU A 92 5.773 -1.875 12.426 1.00 4.31 H new ATOM 0 HD23 LEU A 92 5.364 -3.465 11.740 1.00 4.31 H new ATOM 1480 N ARG A 93 7.128 -5.580 10.237 1.00 13.43 N ATOM 1481 CA ARG A 93 7.638 -6.942 10.368 1.00 0.30 C ATOM 1482 C ARG A 93 7.581 -7.674 9.034 1.00 23.35 C ATOM 1483 O ARG A 93 8.611 -8.032 8.451 1.00 34.54 O ATOM 1484 CB ARG A 93 6.817 -7.721 11.398 1.00 73.03 C ATOM 1485 CG ARG A 93 6.959 -7.228 12.825 1.00 74.31 C ATOM 1486 CD ARG A 93 6.070 -8.029 13.766 1.00 22.44 C ATOM 1487 NE ARG A 93 6.240 -9.472 13.577 1.00 44.13 N ATOM 1488 CZ ARG A 93 6.509 -10.331 14.560 1.00 54.05 C ATOM 1489 NH1 ARG A 93 6.568 -9.915 15.822 1.00 24.14 N ATOM 1490 NH2 ARG A 93 6.693 -11.615 14.281 1.00 23.22 N ATOM 0 H ARG A 93 6.376 -5.348 10.885 1.00 13.43 H new ATOM 0 HA ARG A 93 8.675 -6.878 10.697 1.00 0.30 H new ATOM 0 HB2 ARG A 93 5.765 -7.674 11.115 1.00 73.03 H new ATOM 0 HB3 ARG A 93 7.111 -8.770 11.359 1.00 73.03 H new ATOM 0 HG2 ARG A 93 7.999 -7.311 13.141 1.00 74.31 H new ATOM 0 HG3 ARG A 93 6.693 -6.172 12.878 1.00 74.31 H new ATOM 0 HD2 ARG A 93 6.304 -7.767 14.798 1.00 22.44 H new ATOM 0 HD3 ARG A 93 5.027 -7.761 13.598 1.00 22.44 H new ATOM 0 HE ARG A 93 6.146 -9.843 12.632 1.00 44.13 H new ATOM 0 HH11 ARG A 93 6.407 -8.932 16.043 1.00 24.14 H new ATOM 0 HH12 ARG A 93 6.774 -10.579 16.569 1.00 24.14 H new ATOM 0 HH21 ARG A 93 6.628 -11.942 13.317 1.00 23.22 H new ATOM 0 HH22 ARG A 93 6.899 -12.275 15.031 1.00 23.22 H new ATOM 1504 N GLU A 94 6.368 -7.849 8.541 1.00 2.22 N ATOM 1505 CA GLU A 94 6.122 -8.676 7.377 1.00 35.50 C ATOM 1506 C GLU A 94 6.724 -8.064 6.110 1.00 52.52 C ATOM 1507 O GLU A 94 7.554 -8.684 5.451 1.00 1.51 O ATOM 1508 CB GLU A 94 4.619 -8.876 7.191 1.00 13.21 C ATOM 1509 CG GLU A 94 3.852 -9.181 8.469 1.00 12.31 C ATOM 1510 CD GLU A 94 4.399 -10.366 9.243 1.00 43.04 C ATOM 1511 OE1 GLU A 94 4.190 -11.516 8.811 1.00 65.35 O ATOM 1512 OE2 GLU A 94 5.007 -10.147 10.315 1.00 61.11 O ATOM 0 H GLU A 94 5.530 -7.423 8.936 1.00 2.22 H new ATOM 0 HA GLU A 94 6.604 -9.639 7.545 1.00 35.50 H new ATOM 0 HB2 GLU A 94 4.200 -7.977 6.739 1.00 13.21 H new ATOM 0 HB3 GLU A 94 4.460 -9.691 6.485 1.00 13.21 H new ATOM 0 HG2 GLU A 94 3.869 -8.300 9.111 1.00 12.31 H new ATOM 0 HG3 GLU A 94 2.809 -9.373 8.219 1.00 12.31 H new ATOM 1519 N SER A 95 6.311 -6.840 5.783 1.00 43.41 N ATOM 1520 CA SER A 95 6.694 -6.202 4.520 1.00 3.33 C ATOM 1521 C SER A 95 8.207 -6.053 4.406 1.00 64.12 C ATOM 1522 O SER A 95 8.788 -6.258 3.338 1.00 23.14 O ATOM 1523 CB SER A 95 6.026 -4.832 4.395 1.00 4.43 C ATOM 1524 OG SER A 95 4.641 -4.918 4.676 1.00 0.20 O ATOM 0 H SER A 95 5.710 -6.268 6.376 1.00 43.41 H new ATOM 0 HA SER A 95 6.355 -6.845 3.708 1.00 3.33 H new ATOM 0 HB2 SER A 95 6.498 -4.129 5.082 1.00 4.43 H new ATOM 0 HB3 SER A 95 6.173 -4.442 3.388 1.00 4.43 H new ATOM 0 HG SER A 95 4.492 -4.775 5.634 1.00 0.20 H new ATOM 1530 N LEU A 96 8.844 -5.713 5.516 1.00 34.41 N ATOM 1531 CA LEU A 96 10.283 -5.531 5.539 1.00 12.25 C ATOM 1532 C LEU A 96 11.006 -6.850 5.303 1.00 51.44 C ATOM 1533 O LEU A 96 12.031 -6.884 4.627 1.00 22.25 O ATOM 1534 CB LEU A 96 10.706 -4.932 6.874 1.00 33.40 C ATOM 1535 CG LEU A 96 10.783 -3.399 6.934 1.00 5.01 C ATOM 1536 CD1 LEU A 96 11.857 -2.880 5.990 1.00 54.23 C ATOM 1537 CD2 LEU A 96 9.437 -2.761 6.602 1.00 43.00 C ATOM 0 H LEU A 96 8.384 -5.558 6.413 1.00 34.41 H new ATOM 0 HA LEU A 96 10.556 -4.848 4.734 1.00 12.25 H new ATOM 0 HB2 LEU A 96 10.007 -5.270 7.639 1.00 33.40 H new ATOM 0 HB3 LEU A 96 11.684 -5.335 7.136 1.00 33.40 H new ATOM 0 HG LEU A 96 11.046 -3.121 7.955 1.00 5.01 H new ATOM 0 HD11 LEU A 96 11.896 -1.792 6.047 1.00 54.23 H new ATOM 0 HD12 LEU A 96 12.824 -3.294 6.276 1.00 54.23 H new ATOM 0 HD13 LEU A 96 11.621 -3.182 4.970 1.00 54.23 H new ATOM 0 HD21 LEU A 96 9.526 -1.676 6.653 1.00 43.00 H new ATOM 0 HD22 LEU A 96 9.134 -3.053 5.596 1.00 43.00 H new ATOM 0 HD23 LEU A 96 8.688 -3.098 7.319 1.00 43.00 H new ATOM 1549 N ARG A 97 10.471 -7.934 5.849 1.00 54.22 N ATOM 1550 CA ARG A 97 11.086 -9.243 5.674 1.00 2.15 C ATOM 1551 C ARG A 97 10.622 -9.926 4.389 1.00 21.42 C ATOM 1552 O ARG A 97 11.124 -10.993 4.029 1.00 14.01 O ATOM 1553 CB ARG A 97 10.804 -10.130 6.884 1.00 2.24 C ATOM 1554 CG ARG A 97 11.672 -9.785 8.084 1.00 33.12 C ATOM 1555 CD ARG A 97 13.148 -9.903 7.732 1.00 55.44 C ATOM 1556 NE ARG A 97 14.025 -9.522 8.835 1.00 73.33 N ATOM 1557 CZ ARG A 97 15.207 -10.092 9.069 1.00 32.44 C ATOM 1558 NH1 ARG A 97 15.630 -11.093 8.307 1.00 11.32 N ATOM 1559 NH2 ARG A 97 15.968 -9.660 10.064 1.00 55.41 N ATOM 0 H ARG A 97 9.620 -7.934 6.412 1.00 54.22 H new ATOM 0 HA ARG A 97 12.162 -9.090 5.590 1.00 2.15 H new ATOM 0 HB2 ARG A 97 9.754 -10.035 7.162 1.00 2.24 H new ATOM 0 HB3 ARG A 97 10.968 -11.172 6.611 1.00 2.24 H new ATOM 0 HG2 ARG A 97 11.453 -8.771 8.418 1.00 33.12 H new ATOM 0 HG3 ARG A 97 11.436 -10.452 8.913 1.00 33.12 H new ATOM 0 HD2 ARG A 97 13.366 -10.930 7.439 1.00 55.44 H new ATOM 0 HD3 ARG A 97 13.362 -9.273 6.869 1.00 55.44 H new ATOM 0 HE ARG A 97 13.716 -8.778 9.461 1.00 73.33 H new ATOM 0 HH11 ARG A 97 15.050 -11.429 7.538 1.00 11.32 H new ATOM 0 HH12 ARG A 97 16.535 -11.526 8.490 1.00 11.32 H new ATOM 0 HH21 ARG A 97 15.650 -8.890 10.652 1.00 55.41 H new ATOM 0 HH22 ARG A 97 16.872 -10.097 10.242 1.00 55.41 H new ATOM 1573 N ALA A 98 9.673 -9.312 3.700 1.00 64.23 N ATOM 1574 CA ALA A 98 9.196 -9.835 2.426 1.00 35.32 C ATOM 1575 C ALA A 98 10.167 -9.499 1.303 1.00 32.44 C ATOM 1576 O ALA A 98 10.717 -10.392 0.657 1.00 54.30 O ATOM 1577 CB ALA A 98 7.815 -9.289 2.107 1.00 31.21 C ATOM 0 H ALA A 98 9.217 -8.451 4.000 1.00 64.23 H new ATOM 0 HA ALA A 98 9.131 -10.920 2.511 1.00 35.32 H new ATOM 0 HB1 ALA A 98 7.476 -9.691 1.152 1.00 31.21 H new ATOM 0 HB2 ALA A 98 7.118 -9.582 2.892 1.00 31.21 H new ATOM 0 HB3 ALA A 98 7.858 -8.201 2.048 1.00 31.21 H new ATOM 1583 N ALA A 99 10.376 -8.206 1.075 1.00 60.34 N ATOM 1584 CA ALA A 99 11.292 -7.761 0.031 1.00 70.22 C ATOM 1585 C ALA A 99 12.701 -7.589 0.587 1.00 74.11 C ATOM 1586 O ALA A 99 13.664 -8.126 0.036 1.00 22.04 O ATOM 1587 CB ALA A 99 10.805 -6.460 -0.595 1.00 75.34 C ATOM 0 H ALA A 99 9.927 -7.453 1.595 1.00 60.34 H new ATOM 0 HA ALA A 99 11.319 -8.527 -0.744 1.00 70.22 H new ATOM 0 HB1 ALA A 99 11.503 -6.146 -1.371 1.00 75.34 H new ATOM 0 HB2 ALA A 99 9.819 -6.614 -1.034 1.00 75.34 H new ATOM 0 HB3 ALA A 99 10.744 -5.688 0.172 1.00 75.34 H new ATOM 1593 N SER A 100 12.806 -6.814 1.671 1.00 41.05 N ATOM 1594 CA SER A 100 14.082 -6.563 2.352 1.00 21.21 C ATOM 1595 C SER A 100 15.078 -5.809 1.461 1.00 54.30 C ATOM 1596 O SER A 100 16.212 -5.557 1.865 1.00 51.14 O ATOM 1597 CB SER A 100 14.701 -7.884 2.824 1.00 53.22 C ATOM 1598 OG SER A 100 13.787 -8.624 3.618 1.00 2.54 O ATOM 0 H SER A 100 12.010 -6.343 2.101 1.00 41.05 H new ATOM 0 HA SER A 100 13.867 -5.930 3.213 1.00 21.21 H new ATOM 0 HB2 SER A 100 15.000 -8.478 1.960 1.00 53.22 H new ATOM 0 HB3 SER A 100 15.604 -7.680 3.399 1.00 53.22 H new ATOM 0 HG SER A 100 13.248 -8.008 4.156 1.00 2.54 H new ATOM 1604 N LEU A 101 14.635 -5.406 0.275 1.00 1.02 N ATOM 1605 CA LEU A 101 15.529 -4.833 -0.722 1.00 2.34 C ATOM 1606 C LEU A 101 15.559 -3.303 -0.627 1.00 51.01 C ATOM 1607 O LEU A 101 15.415 -2.593 -1.629 1.00 11.22 O ATOM 1608 CB LEU A 101 15.093 -5.285 -2.122 1.00 24.42 C ATOM 1609 CG LEU A 101 16.132 -5.092 -3.231 1.00 44.43 C ATOM 1610 CD1 LEU A 101 17.431 -5.799 -2.874 1.00 51.42 C ATOM 1611 CD2 LEU A 101 15.594 -5.616 -4.553 1.00 65.43 C ATOM 0 H LEU A 101 13.660 -5.466 -0.019 1.00 1.02 H new ATOM 0 HA LEU A 101 16.541 -5.190 -0.531 1.00 2.34 H new ATOM 0 HB2 LEU A 101 14.827 -6.341 -2.077 1.00 24.42 H new ATOM 0 HB3 LEU A 101 14.190 -4.740 -2.396 1.00 24.42 H new ATOM 0 HG LEU A 101 16.335 -4.026 -3.333 1.00 44.43 H new ATOM 0 HD11 LEU A 101 18.157 -5.651 -3.673 1.00 51.42 H new ATOM 0 HD12 LEU A 101 17.825 -5.388 -1.945 1.00 51.42 H new ATOM 0 HD13 LEU A 101 17.242 -6.865 -2.748 1.00 51.42 H new ATOM 0 HD21 LEU A 101 16.342 -5.473 -5.333 1.00 65.43 H new ATOM 0 HD22 LEU A 101 15.367 -6.678 -4.458 1.00 65.43 H new ATOM 0 HD23 LEU A 101 14.686 -5.073 -4.817 1.00 65.43 H new ATOM 1623 N LEU A 102 15.784 -2.794 0.579 1.00 72.41 N ATOM 1624 CA LEU A 102 15.852 -1.351 0.800 1.00 64.32 C ATOM 1625 C LEU A 102 17.172 -0.784 0.333 1.00 73.32 C ATOM 1626 O LEU A 102 17.397 0.419 0.391 1.00 2.14 O ATOM 1627 CB LEU A 102 15.622 -1.007 2.262 1.00 53.40 C ATOM 1628 CG LEU A 102 14.173 -1.128 2.699 1.00 75.53 C ATOM 1629 CD1 LEU A 102 14.031 -0.777 4.169 1.00 43.34 C ATOM 1630 CD2 LEU A 102 13.287 -0.232 1.839 1.00 2.21 C ATOM 0 H LEU A 102 15.922 -3.357 1.419 1.00 72.41 H new ATOM 0 HA LEU A 102 15.056 -0.897 0.209 1.00 64.32 H new ATOM 0 HB2 LEU A 102 16.234 -1.663 2.881 1.00 53.40 H new ATOM 0 HB3 LEU A 102 15.963 0.012 2.444 1.00 53.40 H new ATOM 0 HG LEU A 102 13.851 -2.161 2.565 1.00 75.53 H new ATOM 0 HD11 LEU A 102 12.986 -0.869 4.466 1.00 43.34 H new ATOM 0 HD12 LEU A 102 14.639 -1.457 4.766 1.00 43.34 H new ATOM 0 HD13 LEU A 102 14.366 0.247 4.332 1.00 43.34 H new ATOM 0 HD21 LEU A 102 12.250 -0.328 2.162 1.00 2.21 H new ATOM 0 HD22 LEU A 102 13.606 0.805 1.945 1.00 2.21 H new ATOM 0 HD23 LEU A 102 13.371 -0.532 0.795 1.00 2.21 H new ATOM 1642 N ASP A 103 18.034 -1.653 -0.140 1.00 75.52 N ATOM 1643 CA ASP A 103 19.270 -1.221 -0.753 1.00 22.01 C ATOM 1644 C ASP A 103 18.988 -0.813 -2.188 1.00 72.31 C ATOM 1645 O ASP A 103 19.786 -0.134 -2.837 1.00 12.45 O ATOM 1646 CB ASP A 103 20.312 -2.334 -0.687 1.00 2.14 C ATOM 1647 CG ASP A 103 20.877 -2.516 0.710 1.00 63.24 C ATOM 1648 OD1 ASP A 103 21.856 -1.822 1.058 1.00 24.12 O ATOM 1649 OD2 ASP A 103 20.343 -3.356 1.470 1.00 11.42 O ATOM 0 H ASP A 103 17.903 -2.664 -0.113 1.00 75.52 H new ATOM 0 HA ASP A 103 19.674 -0.364 -0.214 1.00 22.01 H new ATOM 0 HB2 ASP A 103 19.862 -3.270 -1.019 1.00 2.14 H new ATOM 0 HB3 ASP A 103 21.124 -2.109 -1.378 1.00 2.14 H new ATOM 1654 N LYS A 104 17.829 -1.243 -2.666 1.00 63.32 N ATOM 1655 CA LYS A 104 17.305 -0.822 -3.953 1.00 30.20 C ATOM 1656 C LYS A 104 16.469 0.439 -3.782 1.00 41.21 C ATOM 1657 O LYS A 104 16.630 1.411 -4.516 1.00 64.21 O ATOM 1658 CB LYS A 104 16.432 -1.932 -4.545 1.00 61.51 C ATOM 1659 CG LYS A 104 15.652 -1.520 -5.788 1.00 73.11 C ATOM 1660 CD LYS A 104 14.516 -2.493 -6.081 1.00 1.55 C ATOM 1661 CE LYS A 104 13.425 -2.429 -5.015 1.00 51.20 C ATOM 1662 NZ LYS A 104 12.614 -1.180 -5.102 1.00 63.12 N ATOM 0 H LYS A 104 17.225 -1.897 -2.168 1.00 63.32 H new ATOM 0 HA LYS A 104 18.138 -0.617 -4.625 1.00 30.20 H new ATOM 0 HB2 LYS A 104 17.066 -2.783 -4.794 1.00 61.51 H new ATOM 0 HB3 LYS A 104 15.728 -2.270 -3.784 1.00 61.51 H new ATOM 0 HG2 LYS A 104 15.247 -0.517 -5.650 1.00 73.11 H new ATOM 0 HG3 LYS A 104 16.325 -1.477 -6.644 1.00 73.11 H new ATOM 0 HD2 LYS A 104 14.085 -2.266 -7.056 1.00 1.55 H new ATOM 0 HD3 LYS A 104 14.911 -3.507 -6.136 1.00 1.55 H new ATOM 0 HE2 LYS A 104 12.768 -3.293 -5.119 1.00 51.20 H new ATOM 0 HE3 LYS A 104 13.882 -2.494 -4.028 1.00 51.20 H new ATOM 0 HZ1 LYS A 104 11.956 -1.137 -4.298 1.00 63.12 H new ATOM 0 HZ2 LYS A 104 13.245 -0.354 -5.078 1.00 63.12 H new ATOM 0 HZ3 LYS A 104 12.075 -1.178 -5.991 1.00 63.12 H new ATOM 1676 N ILE A 105 15.576 0.408 -2.796 1.00 33.53 N ATOM 1677 CA ILE A 105 14.615 1.493 -2.604 1.00 42.53 C ATOM 1678 C ILE A 105 15.187 2.620 -1.745 1.00 41.00 C ATOM 1679 O ILE A 105 15.332 3.749 -2.211 1.00 5.14 O ATOM 1680 CB ILE A 105 13.286 0.998 -1.980 1.00 2.03 C ATOM 1681 CG1 ILE A 105 13.277 -0.528 -1.848 1.00 64.32 C ATOM 1682 CG2 ILE A 105 12.125 1.458 -2.842 1.00 0.44 C ATOM 1683 CD1 ILE A 105 12.050 -1.092 -1.171 1.00 21.32 C ATOM 0 H ILE A 105 15.497 -0.352 -2.120 1.00 33.53 H new ATOM 0 HA ILE A 105 14.407 1.881 -3.601 1.00 42.53 H new ATOM 0 HB ILE A 105 13.188 1.420 -0.980 1.00 2.03 H new ATOM 0 HG12 ILE A 105 13.361 -0.966 -2.842 1.00 64.32 H new ATOM 0 HG13 ILE A 105 14.160 -0.837 -1.288 1.00 64.32 H new ATOM 0 HG21 ILE A 105 11.188 1.111 -2.406 1.00 0.44 H new ATOM 0 HG22 ILE A 105 12.120 2.547 -2.895 1.00 0.44 H new ATOM 0 HG23 ILE A 105 12.232 1.047 -3.846 1.00 0.44 H new ATOM 0 HD11 ILE A 105 12.129 -2.178 -1.121 1.00 21.32 H new ATOM 0 HD12 ILE A 105 11.973 -0.687 -0.162 1.00 21.32 H new ATOM 0 HD13 ILE A 105 11.162 -0.819 -1.741 1.00 21.32 H new ATOM 1695 N GLY A 106 15.510 2.309 -0.499 1.00 64.42 N ATOM 1696 CA GLY A 106 16.026 3.313 0.411 1.00 50.22 C ATOM 1697 C GLY A 106 14.925 3.955 1.228 1.00 32.44 C ATOM 1698 O GLY A 106 14.419 3.353 2.180 1.00 72.33 O ATOM 0 H GLY A 106 15.424 1.375 -0.099 1.00 64.42 H new ATOM 0 HA2 GLY A 106 16.755 2.856 1.080 1.00 50.22 H new ATOM 0 HA3 GLY A 106 16.552 4.081 -0.156 1.00 50.22 H new ATOM 1702 N GLU A 107 14.549 5.172 0.857 1.00 53.13 N ATOM 1703 CA GLU A 107 13.445 5.860 1.509 1.00 33.43 C ATOM 1704 C GLU A 107 12.135 5.282 1.003 1.00 52.32 C ATOM 1705 O GLU A 107 11.625 5.685 -0.044 1.00 65.54 O ATOM 1706 CB GLU A 107 13.511 7.366 1.242 1.00 65.54 C ATOM 1707 CG GLU A 107 12.421 8.160 1.940 1.00 55.31 C ATOM 1708 CD GLU A 107 12.547 9.649 1.703 1.00 41.52 C ATOM 1709 OE1 GLU A 107 13.346 10.299 2.410 1.00 71.54 O ATOM 1710 OE2 GLU A 107 11.864 10.176 0.802 1.00 24.12 O ATOM 0 H GLU A 107 14.993 5.702 0.107 1.00 53.13 H new ATOM 0 HA GLU A 107 13.514 5.713 2.587 1.00 33.43 H new ATOM 0 HB2 GLU A 107 14.483 7.740 1.563 1.00 65.54 H new ATOM 0 HB3 GLU A 107 13.442 7.539 0.168 1.00 65.54 H new ATOM 0 HG2 GLU A 107 11.447 7.821 1.588 1.00 55.31 H new ATOM 0 HG3 GLU A 107 12.460 7.961 3.011 1.00 55.31 H new ATOM 1717 N ASP A 108 11.611 4.312 1.730 1.00 12.33 N ATOM 1718 CA ASP A 108 10.465 3.553 1.266 1.00 62.33 C ATOM 1719 C ASP A 108 9.747 2.886 2.431 1.00 71.14 C ATOM 1720 O ASP A 108 10.351 2.671 3.482 1.00 75.02 O ATOM 1721 CB ASP A 108 10.933 2.496 0.265 1.00 42.41 C ATOM 1722 CG ASP A 108 9.808 1.613 -0.217 1.00 75.44 C ATOM 1723 OD1 ASP A 108 9.003 2.069 -1.045 1.00 12.04 O ATOM 1724 OD2 ASP A 108 9.716 0.461 0.244 1.00 32.13 O ATOM 0 H ASP A 108 11.962 4.031 2.646 1.00 12.33 H new ATOM 0 HA ASP A 108 9.764 4.234 0.783 1.00 62.33 H new ATOM 0 HB2 ASP A 108 11.394 2.990 -0.590 1.00 42.41 H new ATOM 0 HB3 ASP A 108 11.702 1.878 0.728 1.00 42.41 H new ATOM 1729 N HIS A 109 8.465 2.572 2.205 1.00 3.41 N ATOM 1730 CA HIS A 109 7.560 1.941 3.182 1.00 61.04 C ATOM 1731 C HIS A 109 7.891 2.282 4.641 1.00 71.14 C ATOM 1732 O HIS A 109 8.566 1.534 5.350 1.00 54.21 O ATOM 1733 CB HIS A 109 7.403 0.416 2.937 1.00 31.02 C ATOM 1734 CG HIS A 109 8.637 -0.450 3.008 1.00 42.11 C ATOM 1735 ND1 HIS A 109 8.663 -1.730 2.489 1.00 21.33 N ATOM 1736 CD2 HIS A 109 9.871 -0.242 3.527 1.00 23.01 C ATOM 1737 CE1 HIS A 109 9.848 -2.264 2.686 1.00 4.34 C ATOM 1738 NE2 HIS A 109 10.601 -1.386 3.316 1.00 24.52 N ATOM 0 H HIS A 109 8.012 2.755 1.310 1.00 3.41 H new ATOM 0 HA HIS A 109 6.581 2.387 3.007 1.00 61.04 H new ATOM 0 HB2 HIS A 109 6.686 0.034 3.664 1.00 31.02 H new ATOM 0 HB3 HIS A 109 6.959 0.282 1.951 1.00 31.02 H new ATOM 0 HD1 HIS A 109 7.881 -2.191 2.023 1.00 21.33 H new ATOM 0 HD2 HIS A 109 10.217 0.657 4.016 1.00 23.01 H new ATOM 0 HE1 HIS A 109 10.152 -3.255 2.383 1.00 4.34 H new ATOM 1747 N ILE A 110 7.397 3.434 5.075 1.00 24.32 N ATOM 1748 CA ILE A 110 7.654 3.932 6.426 1.00 72.23 C ATOM 1749 C ILE A 110 6.339 4.089 7.195 1.00 10.23 C ATOM 1750 O ILE A 110 5.316 3.553 6.781 1.00 73.31 O ATOM 1751 CB ILE A 110 8.417 5.283 6.418 1.00 52.22 C ATOM 1752 CG1 ILE A 110 7.541 6.444 5.917 1.00 73.52 C ATOM 1753 CG2 ILE A 110 9.684 5.178 5.582 1.00 21.52 C ATOM 1754 CD1 ILE A 110 7.147 6.378 4.456 1.00 24.45 C ATOM 0 H ILE A 110 6.811 4.047 4.508 1.00 24.32 H new ATOM 0 HA ILE A 110 8.286 3.195 6.923 1.00 72.23 H new ATOM 0 HB ILE A 110 8.688 5.503 7.451 1.00 52.22 H new ATOM 0 HG12 ILE A 110 6.633 6.478 6.519 1.00 73.52 H new ATOM 0 HG13 ILE A 110 8.073 7.379 6.090 1.00 73.52 H new ATOM 0 HG21 ILE A 110 10.205 6.135 5.589 1.00 21.52 H new ATOM 0 HG22 ILE A 110 10.333 4.409 6.000 1.00 21.52 H new ATOM 0 HG23 ILE A 110 9.423 4.914 4.557 1.00 21.52 H new ATOM 0 HD11 ILE A 110 6.532 7.242 4.206 1.00 24.45 H new ATOM 0 HD12 ILE A 110 8.044 6.380 3.837 1.00 24.45 H new ATOM 0 HD13 ILE A 110 6.581 5.464 4.273 1.00 24.45 H new ATOM 1766 N PHE A 111 6.357 4.821 8.304 1.00 12.22 N ATOM 1767 CA PHE A 111 5.168 4.953 9.144 1.00 43.20 C ATOM 1768 C PHE A 111 4.611 6.370 9.149 1.00 70.31 C ATOM 1769 O PHE A 111 5.351 7.330 9.352 1.00 52.13 O ATOM 1770 CB PHE A 111 5.478 4.535 10.578 1.00 43.31 C ATOM 1771 CG PHE A 111 5.638 3.058 10.742 1.00 4.23 C ATOM 1772 CD1 PHE A 111 4.523 2.241 10.802 1.00 55.34 C ATOM 1773 CD2 PHE A 111 6.893 2.486 10.838 1.00 75.25 C ATOM 1774 CE1 PHE A 111 4.656 0.878 10.954 1.00 34.53 C ATOM 1775 CE2 PHE A 111 7.034 1.124 10.990 1.00 5.12 C ATOM 1776 CZ PHE A 111 5.913 0.319 11.051 1.00 33.24 C ATOM 0 H PHE A 111 7.174 5.329 8.642 1.00 12.22 H new ATOM 0 HA PHE A 111 4.412 4.295 8.716 1.00 43.20 H new ATOM 0 HB2 PHE A 111 6.392 5.031 10.904 1.00 43.31 H new ATOM 0 HB3 PHE A 111 4.677 4.881 11.231 1.00 43.31 H new ATOM 0 HD1 PHE A 111 3.537 2.676 10.729 1.00 55.34 H new ATOM 0 HD2 PHE A 111 7.771 3.113 10.793 1.00 75.25 H new ATOM 0 HE1 PHE A 111 3.779 0.250 10.997 1.00 34.53 H new ATOM 0 HE2 PHE A 111 8.019 0.687 11.061 1.00 5.12 H new ATOM 0 HZ PHE A 111 6.021 -0.748 11.175 1.00 33.24 H new ATOM 1786 N MET A 112 3.296 6.457 8.910 1.00 34.33 N ATOM 1787 CA MET A 112 2.499 7.685 9.081 1.00 55.14 C ATOM 1788 C MET A 112 3.225 8.959 8.640 1.00 11.01 C ATOM 1789 O MET A 112 3.913 9.596 9.439 1.00 41.13 O ATOM 1790 CB MET A 112 2.073 7.813 10.549 1.00 42.15 C ATOM 1791 CG MET A 112 1.157 8.998 10.854 1.00 62.13 C ATOM 1792 SD MET A 112 -0.531 8.785 10.240 1.00 75.14 S ATOM 1793 CE MET A 112 -0.356 9.258 8.522 1.00 24.25 C ATOM 0 H MET A 112 2.744 5.663 8.586 1.00 34.33 H new ATOM 0 HA MET A 112 1.631 7.588 8.429 1.00 55.14 H new ATOM 0 HB2 MET A 112 1.566 6.895 10.846 1.00 42.15 H new ATOM 0 HB3 MET A 112 2.968 7.897 11.166 1.00 42.15 H new ATOM 0 HG2 MET A 112 1.126 9.154 11.932 1.00 62.13 H new ATOM 0 HG3 MET A 112 1.584 9.899 10.414 1.00 62.13 H new ATOM 0 HE1 MET A 112 -1.115 9.998 8.269 1.00 24.25 H new ATOM 0 HE2 MET A 112 0.634 9.684 8.361 1.00 24.25 H new ATOM 0 HE3 MET A 112 -0.480 8.380 7.888 1.00 24.25 H new ATOM 1803 N THR A 113 3.059 9.347 7.380 1.00 23.41 N ATOM 1804 CA THR A 113 3.683 10.574 6.897 1.00 14.33 C ATOM 1805 C THR A 113 3.220 10.951 5.489 1.00 33.13 C ATOM 1806 O THR A 113 3.104 12.131 5.182 1.00 31.21 O ATOM 1807 CB THR A 113 5.228 10.471 6.922 1.00 42.34 C ATOM 1808 OG1 THR A 113 5.816 11.719 6.543 1.00 25.43 O ATOM 1809 CG2 THR A 113 5.725 9.378 5.987 1.00 24.32 C ATOM 0 H THR A 113 2.509 8.841 6.686 1.00 23.41 H new ATOM 0 HA THR A 113 3.365 11.362 7.580 1.00 14.33 H new ATOM 0 HB THR A 113 5.524 10.220 7.941 1.00 42.34 H new ATOM 0 HG1 THR A 113 6.793 11.640 6.564 1.00 25.43 H new ATOM 0 HG21 THR A 113 6.813 9.331 6.028 1.00 24.32 H new ATOM 0 HG22 THR A 113 5.309 8.419 6.295 1.00 24.32 H new ATOM 0 HG23 THR A 113 5.409 9.600 4.968 1.00 24.32 H new ATOM 1817 N LEU A 114 2.912 9.954 4.656 1.00 33.21 N ATOM 1818 CA LEU A 114 2.653 10.178 3.225 1.00 30.42 C ATOM 1819 C LEU A 114 1.636 11.298 2.939 1.00 71.11 C ATOM 1820 O LEU A 114 1.909 12.154 2.098 1.00 73.43 O ATOM 1821 CB LEU A 114 2.218 8.876 2.551 1.00 71.41 C ATOM 1822 CG LEU A 114 3.093 8.423 1.380 1.00 14.25 C ATOM 1823 CD1 LEU A 114 2.982 9.394 0.209 1.00 51.53 C ATOM 1824 CD2 LEU A 114 4.542 8.286 1.828 1.00 23.24 C ATOM 0 H LEU A 114 2.835 8.979 4.946 1.00 33.21 H new ATOM 0 HA LEU A 114 3.598 10.517 2.800 1.00 30.42 H new ATOM 0 HB2 LEU A 114 2.204 8.085 3.301 1.00 71.41 H new ATOM 0 HB3 LEU A 114 1.195 8.995 2.194 1.00 71.41 H new ATOM 0 HG LEU A 114 2.738 7.449 1.043 1.00 14.25 H new ATOM 0 HD11 LEU A 114 3.613 9.050 -0.610 1.00 51.53 H new ATOM 0 HD12 LEU A 114 1.946 9.442 -0.127 1.00 51.53 H new ATOM 0 HD13 LEU A 114 3.307 10.385 0.526 1.00 51.53 H new ATOM 0 HD21 LEU A 114 5.154 7.963 0.986 1.00 23.24 H new ATOM 0 HD22 LEU A 114 4.903 9.248 2.191 1.00 23.24 H new ATOM 0 HD23 LEU A 114 4.607 7.548 2.628 1.00 23.24 H new ATOM 1836 N PRO A 115 0.457 11.325 3.607 1.00 2.51 N ATOM 1837 CA PRO A 115 -0.532 12.404 3.406 1.00 54.15 C ATOM 1838 C PRO A 115 0.066 13.801 3.600 1.00 64.45 C ATOM 1839 O PRO A 115 -0.343 14.765 2.947 1.00 70.15 O ATOM 1840 CB PRO A 115 -1.599 12.130 4.470 1.00 34.04 C ATOM 1841 CG PRO A 115 -1.501 10.671 4.741 1.00 50.23 C ATOM 1842 CD PRO A 115 -0.027 10.316 4.570 1.00 50.03 C ATOM 0 HA PRO A 115 -0.919 12.401 2.387 1.00 54.15 H new ATOM 0 HB2 PRO A 115 -1.416 12.713 5.373 1.00 34.04 H new ATOM 0 HB3 PRO A 115 -2.593 12.400 4.112 1.00 34.04 H new ATOM 0 HG2 PRO A 115 -1.846 10.436 5.748 1.00 50.23 H new ATOM 0 HG3 PRO A 115 -2.123 10.102 4.050 1.00 50.23 H new ATOM 0 HD2 PRO A 115 0.512 10.372 5.516 1.00 50.03 H new ATOM 0 HD3 PRO A 115 0.101 9.303 4.189 1.00 50.03 H new ATOM 1850 N THR A 116 1.036 13.903 4.498 1.00 11.10 N ATOM 1851 CA THR A 116 1.721 15.159 4.753 1.00 43.21 C ATOM 1852 C THR A 116 2.943 15.291 3.844 1.00 33.41 C ATOM 1853 O THR A 116 3.294 16.390 3.403 1.00 21.22 O ATOM 1854 CB THR A 116 2.163 15.243 6.228 1.00 64.15 C ATOM 1855 OG1 THR A 116 1.053 14.949 7.089 1.00 52.21 O ATOM 1856 CG2 THR A 116 2.709 16.621 6.560 1.00 54.32 C ATOM 0 H THR A 116 1.367 13.123 5.066 1.00 11.10 H new ATOM 0 HA THR A 116 1.029 15.974 4.543 1.00 43.21 H new ATOM 0 HB THR A 116 2.955 14.511 6.384 1.00 64.15 H new ATOM 0 HG1 THR A 116 1.341 15.002 8.024 1.00 52.21 H new ATOM 0 HG21 THR A 116 3.012 16.650 7.607 1.00 54.32 H new ATOM 0 HG22 THR A 116 3.570 16.833 5.927 1.00 54.32 H new ATOM 0 HG23 THR A 116 1.937 17.370 6.386 1.00 54.32 H new ATOM 1864 N ALA A 117 3.562 14.155 3.553 1.00 54.10 N ATOM 1865 CA ALA A 117 4.761 14.104 2.729 1.00 20.41 C ATOM 1866 C ALA A 117 4.505 14.658 1.334 1.00 4.12 C ATOM 1867 O ALA A 117 5.179 15.591 0.909 1.00 64.42 O ATOM 1868 CB ALA A 117 5.282 12.679 2.645 1.00 21.52 C ATOM 0 H ALA A 117 3.247 13.243 3.882 1.00 54.10 H new ATOM 0 HA ALA A 117 5.517 14.732 3.201 1.00 20.41 H new ATOM 0 HB1 ALA A 117 6.179 12.655 2.026 1.00 21.52 H new ATOM 0 HB2 ALA A 117 5.522 12.320 3.646 1.00 21.52 H new ATOM 0 HB3 ALA A 117 4.519 12.038 2.203 1.00 21.52 H new ATOM 1874 N VAL A 118 3.522 14.096 0.628 1.00 32.04 N ATOM 1875 CA VAL A 118 3.210 14.554 -0.725 1.00 52.21 C ATOM 1876 C VAL A 118 2.864 16.037 -0.724 1.00 33.21 C ATOM 1877 O VAL A 118 3.265 16.781 -1.622 1.00 12.34 O ATOM 1878 CB VAL A 118 2.052 13.757 -1.373 1.00 14.35 C ATOM 1879 CG1 VAL A 118 2.491 12.334 -1.672 1.00 60.23 C ATOM 1880 CG2 VAL A 118 0.812 13.757 -0.487 1.00 0.41 C ATOM 0 H VAL A 118 2.936 13.333 0.966 1.00 32.04 H new ATOM 0 HA VAL A 118 4.106 14.383 -1.322 1.00 52.21 H new ATOM 0 HB VAL A 118 1.791 14.249 -2.310 1.00 14.35 H new ATOM 0 HG11 VAL A 118 1.666 11.787 -2.127 1.00 60.23 H new ATOM 0 HG12 VAL A 118 3.338 12.351 -2.358 1.00 60.23 H new ATOM 0 HG13 VAL A 118 2.785 11.842 -0.745 1.00 60.23 H new ATOM 0 HG21 VAL A 118 0.018 13.189 -0.972 1.00 0.41 H new ATOM 0 HG22 VAL A 118 1.051 13.300 0.473 1.00 0.41 H new ATOM 0 HG23 VAL A 118 0.479 14.782 -0.328 1.00 0.41 H new ATOM 1890 N GLN A 119 2.155 16.458 0.322 1.00 24.02 N ATOM 1891 CA GLN A 119 1.764 17.849 0.499 1.00 43.33 C ATOM 1892 C GLN A 119 2.980 18.762 0.435 1.00 2.34 C ATOM 1893 O GLN A 119 3.017 19.704 -0.350 1.00 1.31 O ATOM 1894 CB GLN A 119 1.062 18.027 1.850 1.00 23.25 C ATOM 1895 CG GLN A 119 0.680 19.470 2.157 1.00 51.34 C ATOM 1896 CD GLN A 119 0.317 19.706 3.615 1.00 31.35 C ATOM 1897 OE1 GLN A 119 -0.528 20.546 3.923 1.00 62.44 O ATOM 1898 NE2 GLN A 119 0.976 19.001 4.526 1.00 13.00 N ATOM 0 H GLN A 119 1.837 15.841 1.069 1.00 24.02 H new ATOM 0 HA GLN A 119 1.080 18.118 -0.306 1.00 43.33 H new ATOM 0 HB2 GLN A 119 0.163 17.411 1.866 1.00 23.25 H new ATOM 0 HB3 GLN A 119 1.715 17.658 2.640 1.00 23.25 H new ATOM 0 HG2 GLN A 119 1.511 20.122 1.888 1.00 51.34 H new ATOM 0 HG3 GLN A 119 -0.165 19.755 1.530 1.00 51.34 H new ATOM 0 HE21 GLN A 119 1.670 18.313 4.234 1.00 13.00 H new ATOM 0 HE22 GLN A 119 0.788 19.147 5.518 1.00 13.00 H new ATOM 1907 N ALA A 120 3.979 18.459 1.253 1.00 21.21 N ATOM 1908 CA ALA A 120 5.156 19.303 1.373 1.00 72.40 C ATOM 1909 C ALA A 120 6.134 19.081 0.225 1.00 3.02 C ATOM 1910 O ALA A 120 6.615 20.038 -0.385 1.00 53.41 O ATOM 1911 CB ALA A 120 5.845 19.049 2.707 1.00 41.05 C ATOM 0 H ALA A 120 3.995 17.629 1.846 1.00 21.21 H new ATOM 0 HA ALA A 120 4.826 20.341 1.326 1.00 72.40 H new ATOM 0 HB1 ALA A 120 6.726 19.686 2.789 1.00 41.05 H new ATOM 0 HB2 ALA A 120 5.157 19.276 3.521 1.00 41.05 H new ATOM 0 HB3 ALA A 120 6.146 18.003 2.768 1.00 41.05 H new ATOM 1917 N PHE A 121 6.409 17.820 -0.079 1.00 44.24 N ATOM 1918 CA PHE A 121 7.459 17.469 -1.029 1.00 3.01 C ATOM 1919 C PHE A 121 7.171 17.972 -2.439 1.00 2.43 C ATOM 1920 O PHE A 121 7.971 18.722 -2.992 1.00 21.41 O ATOM 1921 CB PHE A 121 7.709 15.960 -1.042 1.00 13.45 C ATOM 1922 CG PHE A 121 8.341 15.451 0.226 1.00 15.33 C ATOM 1923 CD1 PHE A 121 9.244 16.234 0.929 1.00 24.24 C ATOM 1924 CD2 PHE A 121 8.033 14.191 0.713 1.00 2.03 C ATOM 1925 CE1 PHE A 121 9.827 15.771 2.095 1.00 61.44 C ATOM 1926 CE2 PHE A 121 8.612 13.723 1.879 1.00 74.41 C ATOM 1927 CZ PHE A 121 9.509 14.514 2.570 1.00 41.55 C ATOM 0 H PHE A 121 5.918 17.019 0.319 1.00 44.24 H new ATOM 0 HA PHE A 121 8.363 17.973 -0.687 1.00 3.01 H new ATOM 0 HB2 PHE A 121 6.763 15.443 -1.201 1.00 13.45 H new ATOM 0 HB3 PHE A 121 8.353 15.713 -1.886 1.00 13.45 H new ATOM 0 HD1 PHE A 121 9.495 17.218 0.562 1.00 24.24 H new ATOM 0 HD2 PHE A 121 7.333 13.567 0.176 1.00 2.03 H new ATOM 0 HE1 PHE A 121 10.529 16.391 2.632 1.00 61.44 H new ATOM 0 HE2 PHE A 121 8.363 12.739 2.249 1.00 74.41 H new ATOM 0 HZ PHE A 121 9.961 14.150 3.481 1.00 41.55 H new ATOM 1937 N ARG A 122 6.037 17.605 -3.026 1.00 14.04 N ATOM 1938 CA ARG A 122 5.791 17.985 -4.417 1.00 72.23 C ATOM 1939 C ARG A 122 5.053 19.320 -4.516 1.00 34.23 C ATOM 1940 O ARG A 122 4.298 19.568 -5.456 1.00 15.35 O ATOM 1941 CB ARG A 122 5.088 16.859 -5.197 1.00 1.34 C ATOM 1942 CG ARG A 122 3.826 16.291 -4.565 1.00 24.12 C ATOM 1943 CD ARG A 122 2.590 17.100 -4.924 1.00 13.34 C ATOM 1944 NE ARG A 122 1.429 16.241 -5.122 1.00 5.33 N ATOM 1945 CZ ARG A 122 0.209 16.502 -4.667 1.00 1.04 C ATOM 1946 NH1 ARG A 122 -0.034 17.604 -3.971 1.00 34.44 N ATOM 1947 NH2 ARG A 122 -0.771 15.652 -4.917 1.00 74.32 N ATOM 0 H ARG A 122 5.295 17.064 -2.582 1.00 14.04 H new ATOM 0 HA ARG A 122 6.760 18.133 -4.894 1.00 72.23 H new ATOM 0 HB2 ARG A 122 4.835 17.235 -6.188 1.00 1.34 H new ATOM 0 HB3 ARG A 122 5.798 16.044 -5.337 1.00 1.34 H new ATOM 0 HG2 ARG A 122 3.691 15.260 -4.891 1.00 24.12 H new ATOM 0 HG3 ARG A 122 3.942 16.270 -3.481 1.00 24.12 H new ATOM 0 HD2 ARG A 122 2.381 17.819 -4.132 1.00 13.34 H new ATOM 0 HD3 ARG A 122 2.780 17.673 -5.832 1.00 13.34 H new ATOM 0 HE ARG A 122 1.563 15.377 -5.648 1.00 5.33 H new ATOM 0 HH11 ARG A 122 0.721 18.263 -3.779 1.00 34.44 H new ATOM 0 HH12 ARG A 122 -0.976 17.793 -3.627 1.00 34.44 H new ATOM 0 HH21 ARG A 122 -0.587 14.805 -5.455 1.00 74.32 H new ATOM 0 HH22 ARG A 122 -1.712 15.843 -4.572 1.00 74.32 H new ATOM 1961 N ARG A 123 5.314 20.190 -3.551 1.00 23.42 N ATOM 1962 CA ARG A 123 4.818 21.561 -3.595 1.00 3.11 C ATOM 1963 C ARG A 123 5.934 22.540 -3.224 1.00 22.33 C ATOM 1964 O ARG A 123 6.006 23.638 -3.773 1.00 1.34 O ATOM 1965 CB ARG A 123 3.569 21.717 -2.698 1.00 4.12 C ATOM 1966 CG ARG A 123 3.627 22.819 -1.641 1.00 0.24 C ATOM 1967 CD ARG A 123 4.407 22.381 -0.410 1.00 3.41 C ATOM 1968 NE ARG A 123 4.151 23.234 0.745 1.00 12.32 N ATOM 1969 CZ ARG A 123 4.883 23.215 1.858 1.00 63.44 C ATOM 1970 NH1 ARG A 123 5.978 22.467 1.932 1.00 15.04 N ATOM 1971 NH2 ARG A 123 4.530 23.964 2.893 1.00 32.02 N ATOM 0 H ARG A 123 5.869 19.971 -2.724 1.00 23.42 H new ATOM 0 HA ARG A 123 4.506 21.799 -4.612 1.00 3.11 H new ATOM 0 HB2 ARG A 123 2.708 21.904 -3.340 1.00 4.12 H new ATOM 0 HB3 ARG A 123 3.390 20.768 -2.193 1.00 4.12 H new ATOM 0 HG2 ARG A 123 4.091 23.708 -2.068 1.00 0.24 H new ATOM 0 HG3 ARG A 123 2.614 23.097 -1.350 1.00 0.24 H new ATOM 0 HD2 ARG A 123 4.144 21.352 -0.164 1.00 3.41 H new ATOM 0 HD3 ARG A 123 5.473 22.391 -0.636 1.00 3.41 H new ATOM 0 HE ARG A 123 3.366 23.883 0.698 1.00 12.32 H new ATOM 0 HH11 ARG A 123 6.264 21.901 1.133 1.00 15.04 H new ATOM 0 HH12 ARG A 123 6.533 22.458 2.788 1.00 15.04 H new ATOM 0 HH21 ARG A 123 3.699 24.553 2.836 1.00 32.02 H new ATOM 0 HH22 ARG A 123 5.089 23.951 3.746 1.00 32.02 H new ATOM 1985 N ARG A 124 6.811 22.108 -2.311 1.00 40.55 N ATOM 1986 CA ARG A 124 7.952 22.905 -1.847 1.00 4.53 C ATOM 1987 C ARG A 124 7.500 24.234 -1.247 1.00 61.34 C ATOM 1988 O ARG A 124 7.326 24.290 -0.015 1.00 71.24 O ATOM 1989 CB ARG A 124 8.969 23.142 -2.970 1.00 34.01 C ATOM 1990 CG ARG A 124 9.533 21.866 -3.579 1.00 70.12 C ATOM 1991 CD ARG A 124 10.023 20.888 -2.516 1.00 71.42 C ATOM 1992 NE ARG A 124 11.007 21.478 -1.606 1.00 43.51 N ATOM 1993 CZ ARG A 124 11.503 20.844 -0.542 1.00 31.53 C ATOM 1994 NH1 ARG A 124 11.144 19.591 -0.287 1.00 42.42 N ATOM 1995 NH2 ARG A 124 12.361 21.460 0.262 1.00 53.24 N ATOM 0 H ARG A 124 6.749 21.190 -1.871 1.00 40.55 H new ATOM 0 HA ARG A 124 8.443 22.329 -1.063 1.00 4.53 H new ATOM 0 HB2 ARG A 124 8.495 23.728 -3.757 1.00 34.01 H new ATOM 0 HB3 ARG A 124 9.792 23.740 -2.579 1.00 34.01 H new ATOM 0 HG2 ARG A 124 8.766 21.386 -4.186 1.00 70.12 H new ATOM 0 HG3 ARG A 124 10.357 22.117 -4.247 1.00 70.12 H new ATOM 0 HD2 ARG A 124 9.171 20.531 -1.938 1.00 71.42 H new ATOM 0 HD3 ARG A 124 10.464 20.019 -3.005 1.00 71.42 H new ATOM 0 HE ARG A 124 11.331 22.426 -1.796 1.00 43.51 H new ATOM 0 HH11 ARG A 124 10.489 19.112 -0.905 1.00 42.42 H new ATOM 0 HH12 ARG A 124 11.524 19.107 0.527 1.00 42.42 H new ATOM 0 HH21 ARG A 124 12.643 22.421 0.067 1.00 53.24 H new ATOM 0 HH22 ARG A 124 12.738 20.973 1.075 1.00 53.24 H new