USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 995 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 90 CYS SG : rot -55:sc= -0.343 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 ASN : amide:sc= -7.24! C(o=-12!,f=-10!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ 162:sc= -2.58 (180deg=-2.57!) USER MOD Set 2.3: A 81 ASN : amide:sc= -1.88 K(o=-12,f=-15!) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 27 ASN : amide:sc= 0 X(o=0,f=0.0048) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00466 USER MOD Single : A 16 GLN : amide:sc= -0.61 X(o=-0.61,f=-0.12) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 138:sc= -4.4! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 31 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 42 GLN : amide:sc= -0.0525 X(o=-0.053,f=-0.33) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 96:sc= -0.473 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 55 ASN : amide:sc= -2.42 K(o=-2.4,f=-16!) USER MOD Single : A 56 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.31) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= 0.0406 USER MOD Single : A 63 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00383 K(o=-0.0038,f=-0.6) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 89 CYS SG : rot 116:sc= 0.0675 USER MOD Single : A 92 THR OG1 : rot -172:sc= 0.358 USER MOD Single : A 95 MET CE :methyl 137:sc= -0.887 (180deg=-1.63!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0936 USER MOD Single : A 114 LYS NZ :NH3+ -152:sc= -0.145 (180deg=-1.14) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.282 USER MOD Single : A 120 SER OG : rot -74:sc= 1.14 USER MOD Single : A 123 SER OG : rot -80:sc= 0.714 USER MOD Single : A 125 THR OG1 : rot -63:sc= 1.3 USER MOD Single : A 131 THR OG1 : rot -67:sc= 0.32 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 11.904 1.037 7.068 1.00 0.00 N ATOM 99 CA PRO A 10 11.238 0.067 6.194 1.00 0.00 C ATOM 100 C PRO A 10 10.406 0.740 5.109 1.00 0.00 C ATOM 101 O PRO A 10 9.978 0.094 4.152 1.00 0.00 O ATOM 102 CB PRO A 10 10.336 -0.714 7.153 1.00 0.00 C ATOM 103 CG PRO A 10 10.081 0.224 8.282 1.00 0.00 C ATOM 104 CD PRO A 10 11.330 1.049 8.425 1.00 0.00 C ATOM 0 HA PRO A 10 11.953 -0.556 5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.406 -1.012 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.822 -1.627 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.217 0.856 8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.866 -0.321 9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.106 2.063 8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.015 0.618 9.155 1.00 0.00 H new ATOM 112 N TRP A 11 10.180 2.039 5.263 1.00 0.00 N ATOM 113 CA TRP A 11 9.398 2.800 4.295 1.00 0.00 C ATOM 114 C TRP A 11 10.304 3.462 3.263 1.00 0.00 C ATOM 115 O TRP A 11 9.904 3.680 2.119 1.00 0.00 O ATOM 116 CB TRP A 11 8.556 3.860 5.008 1.00 0.00 C ATOM 117 CG TRP A 11 9.283 5.153 5.217 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.946 5.548 6.343 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.418 6.222 4.274 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.486 6.798 6.157 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.177 7.233 4.896 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.974 6.423 2.964 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.498 8.425 4.252 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.294 7.607 2.326 1.00 0.00 C ATOM 125 CH2 TRP A 11 10.050 8.595 2.970 1.00 0.00 C ATOM 0 H TRP A 11 10.527 2.588 6.049 1.00 0.00 H new ATOM 0 HA TRP A 11 8.734 2.108 3.777 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.654 4.049 4.426 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.237 3.470 5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.033 4.964 7.247 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.029 7.318 6.847 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.391 5.667 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.080 9.189 4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.955 7.773 1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.284 9.509 2.444 1.00 0.00 H new ATOM 136 N LYS A 12 11.527 3.779 3.674 1.00 0.00 N ATOM 137 CA LYS A 12 12.492 4.415 2.784 1.00 0.00 C ATOM 138 C LYS A 12 12.727 3.566 1.539 1.00 0.00 C ATOM 139 O LYS A 12 12.797 4.086 0.427 1.00 0.00 O ATOM 140 CB LYS A 12 13.817 4.644 3.516 1.00 0.00 C ATOM 141 CG LYS A 12 13.865 5.949 4.292 1.00 0.00 C ATOM 142 CD LYS A 12 13.656 7.148 3.383 1.00 0.00 C ATOM 143 CE LYS A 12 14.417 8.366 3.882 1.00 0.00 C ATOM 144 NZ LYS A 12 14.690 9.337 2.787 1.00 0.00 N ATOM 0 H LYS A 12 11.874 3.606 4.618 1.00 0.00 H new ATOM 0 HA LYS A 12 12.084 5.377 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.991 3.816 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.630 4.632 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.098 5.941 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.827 6.038 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.984 6.902 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.593 7.381 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.842 8.857 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.359 8.048 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.210 10.153 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.260 8.877 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.790 9.661 2.378 1.00 0.00 H new ATOM 158 N GLN A 13 12.847 2.257 1.736 1.00 0.00 N ATOM 159 CA GLN A 13 13.073 1.336 0.628 1.00 0.00 C ATOM 160 C GLN A 13 11.768 1.025 -0.097 1.00 0.00 C ATOM 161 O GLN A 13 11.744 0.885 -1.320 1.00 0.00 O ATOM 162 CB GLN A 13 13.710 0.041 1.135 1.00 0.00 C ATOM 163 CG GLN A 13 12.843 -0.714 2.130 1.00 0.00 C ATOM 164 CD GLN A 13 13.611 -1.786 2.877 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.544 -2.967 2.535 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.347 -1.379 3.905 1.00 0.00 N ATOM 0 H GLN A 13 12.792 1.811 2.651 1.00 0.00 H new ATOM 0 HA GLN A 13 13.753 1.815 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.922 -0.607 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.666 0.275 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.421 -0.009 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.006 -1.172 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.373 -0.390 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.886 -2.055 4.446 1.00 0.00 H new ATOM 175 N CYS A 14 10.685 0.918 0.665 1.00 0.00 N ATOM 176 CA CYS A 14 9.375 0.622 0.095 1.00 0.00 C ATOM 177 C CYS A 14 9.048 1.584 -1.042 1.00 0.00 C ATOM 178 O CYS A 14 8.631 1.165 -2.122 1.00 0.00 O ATOM 179 CB CYS A 14 8.296 0.705 1.176 1.00 0.00 C ATOM 180 SG CYS A 14 6.729 -0.071 0.714 1.00 0.00 S ATOM 0 H CYS A 14 10.688 1.032 1.679 1.00 0.00 H new ATOM 0 HA CYS A 14 9.400 -0.391 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.670 0.232 2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.114 1.753 1.414 1.00 0.00 H new ATOM 0 HG CYS A 14 5.881 0.048 1.692 1.00 0.00 H new ATOM 186 N ALA A 15 9.238 2.875 -0.792 1.00 0.00 N ATOM 187 CA ALA A 15 8.963 3.896 -1.795 1.00 0.00 C ATOM 188 C ALA A 15 9.405 3.438 -3.181 1.00 0.00 C ATOM 189 O ALA A 15 8.676 3.600 -4.159 1.00 0.00 O ATOM 190 CB ALA A 15 9.653 5.201 -1.423 1.00 0.00 C ATOM 0 H ALA A 15 9.581 3.239 0.097 1.00 0.00 H new ATOM 0 HA ALA A 15 7.886 4.062 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.439 5.955 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.285 5.544 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.729 5.040 -1.365 1.00 0.00 H new ATOM 196 N GLN A 16 10.602 2.866 -3.256 1.00 0.00 N ATOM 197 CA GLN A 16 11.141 2.386 -4.523 1.00 0.00 C ATOM 198 C GLN A 16 10.168 1.424 -5.198 1.00 0.00 C ATOM 199 O GLN A 16 9.660 1.701 -6.284 1.00 0.00 O ATOM 200 CB GLN A 16 12.487 1.695 -4.300 1.00 0.00 C ATOM 201 CG GLN A 16 13.550 2.610 -3.713 1.00 0.00 C ATOM 202 CD GLN A 16 13.772 3.857 -4.546 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.664 3.900 -5.394 1.00 0.00 O ATOM 204 NE2 GLN A 16 12.959 4.880 -4.309 1.00 0.00 N ATOM 0 H GLN A 16 11.217 2.724 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 16 11.286 3.246 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.343 0.844 -3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.845 1.299 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.258 2.899 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.489 2.062 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.233 4.800 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.060 5.745 -4.839 1.00 0.00 H new ATOM 213 N TRP A 17 9.915 0.294 -4.548 1.00 0.00 N ATOM 214 CA TRP A 17 9.003 -0.709 -5.086 1.00 0.00 C ATOM 215 C TRP A 17 7.758 -0.054 -5.674 1.00 0.00 C ATOM 216 O TRP A 17 7.301 -0.425 -6.756 1.00 0.00 O ATOM 217 CB TRP A 17 8.604 -1.704 -3.994 1.00 0.00 C ATOM 218 CG TRP A 17 7.859 -2.894 -4.519 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.316 -3.817 -5.416 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.526 -3.288 -4.179 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.346 -4.761 -5.654 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.239 -4.459 -4.907 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.546 -2.767 -3.329 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.014 -5.114 -4.810 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.331 -3.418 -3.234 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.073 -4.582 -3.971 1.00 0.00 C ATOM 0 H TRP A 17 10.328 0.049 -3.648 1.00 0.00 H new ATOM 0 HA TRP A 17 9.520 -1.243 -5.883 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.501 -2.045 -3.477 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.986 -1.194 -3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.295 -3.807 -5.871 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.436 -5.557 -6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.735 -1.871 -2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.814 -6.011 -5.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.567 -3.023 -2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.113 -5.068 -3.875 1.00 0.00 H new ATOM 237 N LEU A 18 7.213 0.921 -4.955 1.00 0.00 N ATOM 238 CA LEU A 18 6.020 1.628 -5.406 1.00 0.00 C ATOM 239 C LEU A 18 6.267 2.314 -6.746 1.00 0.00 C ATOM 240 O LEU A 18 5.508 2.130 -7.698 1.00 0.00 O ATOM 241 CB LEU A 18 5.590 2.661 -4.363 1.00 0.00 C ATOM 242 CG LEU A 18 5.150 2.105 -3.009 1.00 0.00 C ATOM 243 CD1 LEU A 18 4.926 3.234 -2.014 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.888 1.268 -3.161 1.00 0.00 C ATOM 0 H LEU A 18 7.578 1.240 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 18 5.222 0.897 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.420 3.349 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.769 3.246 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 18 5.944 1.464 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.613 2.818 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.853 3.792 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.151 3.902 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.589 0.880 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.088 1.887 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.082 0.437 -3.839 1.00 0.00 H new ATOM 256 N ILE A 19 7.334 3.103 -6.813 1.00 0.00 N ATOM 257 CA ILE A 19 7.683 3.814 -8.037 1.00 0.00 C ATOM 258 C ILE A 19 7.861 2.846 -9.202 1.00 0.00 C ATOM 259 O ILE A 19 7.480 3.144 -10.334 1.00 0.00 O ATOM 260 CB ILE A 19 8.974 4.634 -7.863 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.840 5.592 -6.678 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.290 5.401 -9.138 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.146 6.241 -6.274 1.00 0.00 C ATOM 0 H ILE A 19 7.972 3.266 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 19 6.858 4.493 -8.254 1.00 0.00 H new ATOM 0 HB ILE A 19 9.797 3.949 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.120 6.370 -6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.435 5.047 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.206 5.976 -8.999 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.423 4.699 -9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.468 6.078 -9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.975 6.907 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.863 5.470 -5.990 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.542 6.814 -7.112 1.00 0.00 H new ATOM 275 N HIS A 20 8.441 1.685 -8.916 1.00 0.00 N ATOM 276 CA HIS A 20 8.668 0.671 -9.940 1.00 0.00 C ATOM 277 C HIS A 20 7.394 -0.122 -10.211 1.00 0.00 C ATOM 278 O HIS A 20 7.220 -0.686 -11.292 1.00 0.00 O ATOM 279 CB HIS A 20 9.790 -0.275 -9.511 1.00 0.00 C ATOM 280 CG HIS A 20 11.159 0.222 -9.857 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.828 -0.152 -11.004 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.985 1.071 -9.202 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.007 0.444 -11.038 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.127 1.192 -9.956 1.00 0.00 N ATOM 0 H HIS A 20 8.762 1.423 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 20 8.962 1.178 -10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.731 -0.430 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.635 -1.246 -9.982 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.784 1.562 -8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.747 0.338 -11.818 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.936 1.766 -9.719 1.00 0.00 H new ATOM 293 N CYS A 21 6.506 -0.161 -9.224 1.00 0.00 N ATOM 294 CA CYS A 21 5.247 -0.887 -9.356 1.00 0.00 C ATOM 295 C CYS A 21 4.230 -0.071 -10.148 1.00 0.00 C ATOM 296 O CYS A 21 3.047 -0.409 -10.194 1.00 0.00 O ATOM 297 CB CYS A 21 4.683 -1.226 -7.975 1.00 0.00 C ATOM 298 SG CYS A 21 5.547 -2.573 -7.135 1.00 0.00 S ATOM 0 H CYS A 21 6.634 0.301 -8.324 1.00 0.00 H new ATOM 0 HA CYS A 21 5.444 -1.812 -9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.725 -0.335 -7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.631 -1.493 -8.079 1.00 0.00 H new ATOM 0 HG CYS A 21 5.701 -2.273 -5.879 1.00 0.00 H new ATOM 304 N LYS A 22 4.698 1.005 -10.770 1.00 0.00 N ATOM 305 CA LYS A 22 3.831 1.870 -11.561 1.00 0.00 C ATOM 306 C LYS A 22 2.674 2.397 -10.719 1.00 0.00 C ATOM 307 O LYS A 22 1.519 2.368 -11.145 1.00 0.00 O ATOM 308 CB LYS A 22 3.289 1.112 -12.774 1.00 0.00 C ATOM 309 CG LYS A 22 4.337 0.276 -13.488 1.00 0.00 C ATOM 310 CD LYS A 22 5.283 1.143 -14.302 1.00 0.00 C ATOM 311 CE LYS A 22 6.500 1.557 -13.489 1.00 0.00 C ATOM 312 NZ LYS A 22 7.574 2.125 -14.349 1.00 0.00 N ATOM 0 H LYS A 22 5.674 1.299 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 22 4.423 2.718 -11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.476 0.462 -12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.865 1.827 -13.479 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.906 -0.298 -12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.845 -0.443 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.605 0.598 -15.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.756 2.032 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.204 2.294 -12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.887 0.693 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.386 2.395 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.874 1.413 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.213 2.964 -14.846 1.00 0.00 H new ATOM 326 N VAL A 23 2.991 2.879 -9.521 1.00 0.00 N ATOM 327 CA VAL A 23 1.977 3.415 -8.620 1.00 0.00 C ATOM 328 C VAL A 23 2.323 4.835 -8.187 1.00 0.00 C ATOM 329 O VAL A 23 1.440 5.630 -7.862 1.00 0.00 O ATOM 330 CB VAL A 23 1.817 2.533 -7.368 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.361 1.134 -7.756 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.119 2.480 -6.583 1.00 0.00 C ATOM 0 H VAL A 23 3.941 2.909 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 23 1.037 3.425 -9.171 1.00 0.00 H new ATOM 0 HB VAL A 23 1.053 2.975 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.253 0.525 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.402 1.194 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.100 0.680 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.987 1.852 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.906 2.063 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.398 3.487 -6.273 1.00 0.00 H new ATOM 342 N LEU A 24 3.614 5.149 -8.184 1.00 0.00 N ATOM 343 CA LEU A 24 4.078 6.475 -7.790 1.00 0.00 C ATOM 344 C LEU A 24 5.158 6.979 -8.742 1.00 0.00 C ATOM 345 O LEU A 24 5.933 6.205 -9.305 1.00 0.00 O ATOM 346 CB LEU A 24 4.617 6.445 -6.359 1.00 0.00 C ATOM 347 CG LEU A 24 3.586 6.196 -5.258 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.276 5.923 -3.931 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.641 7.383 -5.136 1.00 0.00 C ATOM 0 H LEU A 24 4.358 4.504 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 24 3.230 7.158 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.381 5.670 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.111 7.396 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 24 3.001 5.316 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.526 5.748 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.911 5.042 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.887 6.783 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.913 7.189 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.212 8.279 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.120 7.532 -6.082 1.00 0.00 H new ATOM 361 N PRO A 25 5.214 8.306 -8.926 1.00 0.00 N ATOM 362 CA PRO A 25 6.197 8.943 -9.807 1.00 0.00 C ATOM 363 C PRO A 25 7.613 8.863 -9.249 1.00 0.00 C ATOM 364 O PRO A 25 7.810 8.642 -8.054 1.00 0.00 O ATOM 365 CB PRO A 25 5.728 10.399 -9.868 1.00 0.00 C ATOM 366 CG PRO A 25 4.971 10.607 -8.602 1.00 0.00 C ATOM 367 CD PRO A 25 4.321 9.288 -8.287 1.00 0.00 C ATOM 0 HA PRO A 25 6.247 8.456 -10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.573 11.084 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.098 10.576 -10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.636 10.917 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.224 11.392 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.246 9.123 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.309 9.232 -8.689 1.00 0.00 H new ATOM 375 N THR A 26 8.600 9.044 -10.122 1.00 0.00 N ATOM 376 CA THR A 26 9.998 8.991 -9.717 1.00 0.00 C ATOM 377 C THR A 26 10.370 10.200 -8.865 1.00 0.00 C ATOM 378 O THR A 26 11.283 10.135 -8.043 1.00 0.00 O ATOM 379 CB THR A 26 10.936 8.930 -10.938 1.00 0.00 C ATOM 380 OG1 THR A 26 10.873 10.162 -11.665 1.00 0.00 O ATOM 381 CG2 THR A 26 10.557 7.775 -11.853 1.00 0.00 C ATOM 0 H THR A 26 8.456 9.229 -11.115 1.00 0.00 H new ATOM 0 HA THR A 26 10.121 8.082 -9.128 1.00 0.00 H new ATOM 0 HB THR A 26 11.953 8.771 -10.581 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.473 10.116 -12.439 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.233 7.751 -12.708 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.633 6.836 -11.304 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.533 7.909 -12.203 1.00 0.00 H new ATOM 389 N ASN A 27 9.656 11.303 -9.068 1.00 0.00 N ATOM 390 CA ASN A 27 9.912 12.527 -8.318 1.00 0.00 C ATOM 391 C ASN A 27 8.801 12.785 -7.304 1.00 0.00 C ATOM 392 O ASN A 27 8.620 13.911 -6.839 1.00 0.00 O ATOM 393 CB ASN A 27 10.034 13.718 -9.271 1.00 0.00 C ATOM 394 CG ASN A 27 11.410 13.816 -9.900 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.705 13.138 -10.885 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.261 14.663 -9.333 1.00 0.00 N ATOM 0 H ASN A 27 8.896 11.374 -9.745 1.00 0.00 H new ATOM 0 HA ASN A 27 10.851 12.404 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.284 13.630 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.819 14.638 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.201 14.772 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.974 15.205 -8.518 1.00 0.00 H new ATOM 403 N HIS A 28 8.061 11.735 -6.965 1.00 0.00 N ATOM 404 CA HIS A 28 6.969 11.847 -6.005 1.00 0.00 C ATOM 405 C HIS A 28 7.407 12.633 -4.773 1.00 0.00 C ATOM 406 O HIS A 28 8.589 12.936 -4.606 1.00 0.00 O ATOM 407 CB HIS A 28 6.480 10.459 -5.591 1.00 0.00 C ATOM 408 CG HIS A 28 5.050 10.435 -5.146 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.612 9.705 -4.062 1.00 0.00 N ATOM 410 CD2 HIS A 28 3.957 11.058 -5.645 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.310 9.879 -3.914 1.00 0.00 C ATOM 412 NE2 HIS A 28 2.889 10.696 -4.862 1.00 0.00 N ATOM 0 H HIS A 28 8.197 10.797 -7.341 1.00 0.00 H new ATOM 0 HA HIS A 28 6.151 12.384 -6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.602 9.775 -6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.110 10.087 -4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.930 11.717 -6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.695 9.429 -3.148 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.926 11.008 -4.992 1.00 0.00 H new ATOM 421 N ARG A 29 6.448 12.961 -3.913 1.00 0.00 N ATOM 422 CA ARG A 29 6.735 13.713 -2.698 1.00 0.00 C ATOM 423 C ARG A 29 7.339 12.808 -1.628 1.00 0.00 C ATOM 424 O ARG A 29 8.032 13.274 -0.724 1.00 0.00 O ATOM 425 CB ARG A 29 5.460 14.370 -2.166 1.00 0.00 C ATOM 426 CG ARG A 29 4.362 13.377 -1.821 1.00 0.00 C ATOM 427 CD ARG A 29 3.040 14.080 -1.554 1.00 0.00 C ATOM 428 NE ARG A 29 2.548 14.786 -2.734 1.00 0.00 N ATOM 429 CZ ARG A 29 1.301 15.225 -2.861 1.00 0.00 C ATOM 430 NH1 ARG A 29 0.424 15.031 -1.885 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.928 15.859 -3.965 1.00 0.00 N ATOM 0 H ARG A 29 5.465 12.717 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 29 7.460 14.489 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.705 14.952 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.084 15.070 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.240 12.669 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.653 12.801 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.298 13.348 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.165 14.787 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 29 3.198 14.951 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.707 14.544 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.533 15.369 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.599 16.010 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.030 16.195 -4.061 1.00 0.00 H new ATOM 445 N VAL A 30 7.069 11.510 -1.737 1.00 0.00 N ATOM 446 CA VAL A 30 7.585 10.539 -0.779 1.00 0.00 C ATOM 447 C VAL A 30 9.057 10.241 -1.039 1.00 0.00 C ATOM 448 O VAL A 30 9.736 9.637 -0.207 1.00 0.00 O ATOM 449 CB VAL A 30 6.789 9.222 -0.832 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.307 9.483 -0.607 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.018 8.514 -2.159 1.00 0.00 C ATOM 0 H VAL A 30 6.496 11.107 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 30 7.476 10.981 0.211 1.00 0.00 H new ATOM 0 HB VAL A 30 7.144 8.572 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.761 8.540 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.163 9.943 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.934 10.152 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.448 7.585 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.692 9.158 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.079 8.291 -2.274 1.00 0.00 H new ATOM 461 N THR A 31 9.547 10.670 -2.198 1.00 0.00 N ATOM 462 CA THR A 31 10.939 10.449 -2.568 1.00 0.00 C ATOM 463 C THR A 31 11.853 11.476 -1.909 1.00 0.00 C ATOM 464 O THR A 31 13.046 11.234 -1.729 1.00 0.00 O ATOM 465 CB THR A 31 11.132 10.512 -4.095 1.00 0.00 C ATOM 466 OG1 THR A 31 10.763 11.807 -4.582 1.00 0.00 O ATOM 467 CG2 THR A 31 10.297 9.447 -4.790 1.00 0.00 C ATOM 0 H THR A 31 9.000 11.173 -2.897 1.00 0.00 H new ATOM 0 HA THR A 31 11.204 9.452 -2.217 1.00 0.00 H new ATOM 0 HB THR A 31 12.184 10.328 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.798 11.830 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.449 9.511 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.600 8.461 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.243 9.605 -4.563 1.00 0.00 H new ATOM 475 N TRP A 32 11.285 12.622 -1.551 1.00 0.00 N ATOM 476 CA TRP A 32 12.050 13.686 -0.911 1.00 0.00 C ATOM 477 C TRP A 32 12.452 13.291 0.506 1.00 0.00 C ATOM 478 O TRP A 32 11.665 12.694 1.241 1.00 0.00 O ATOM 479 CB TRP A 32 11.235 14.981 -0.881 1.00 0.00 C ATOM 480 CG TRP A 32 11.056 15.601 -2.233 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.409 15.056 -3.306 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.531 16.883 -2.658 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.454 15.922 -4.371 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.135 17.050 -3.999 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.250 17.907 -2.035 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.437 18.199 -4.726 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.548 19.046 -2.758 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.142 19.185 -4.091 1.00 0.00 C ATOM 0 H TRP A 32 10.298 12.838 -1.693 1.00 0.00 H new ATOM 0 HA TRP A 32 12.957 13.849 -1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.255 14.775 -0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.728 15.697 -0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 32 9.932 14.087 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.046 15.752 -5.290 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.567 17.810 -1.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.126 18.308 -5.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.104 19.843 -2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.390 20.088 -4.628 1.00 0.00 H new ATOM 499 N ASP A 33 13.680 13.628 0.883 1.00 0.00 N ATOM 500 CA ASP A 33 14.186 13.309 2.214 1.00 0.00 C ATOM 501 C ASP A 33 13.267 13.871 3.293 1.00 0.00 C ATOM 502 O ASP A 33 13.133 13.293 4.372 1.00 0.00 O ATOM 503 CB ASP A 33 15.600 13.863 2.391 1.00 0.00 C ATOM 504 CG ASP A 33 16.663 12.914 1.875 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.872 12.868 0.645 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.287 12.216 2.702 1.00 0.00 O ATOM 0 H ASP A 33 14.344 14.122 0.287 1.00 0.00 H new ATOM 0 HA ASP A 33 14.214 12.224 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.682 14.815 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.779 14.064 3.447 1.00 0.00 H new ATOM 511 N SER A 34 12.636 15.003 2.997 1.00 0.00 N ATOM 512 CA SER A 34 11.733 15.647 3.944 1.00 0.00 C ATOM 513 C SER A 34 10.524 14.761 4.229 1.00 0.00 C ATOM 514 O SER A 34 9.977 14.775 5.331 1.00 0.00 O ATOM 515 CB SER A 34 11.272 17.001 3.402 1.00 0.00 C ATOM 516 OG SER A 34 10.457 17.677 4.344 1.00 0.00 O ATOM 0 H SER A 34 12.734 15.493 2.108 1.00 0.00 H new ATOM 0 HA SER A 34 12.275 15.803 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.140 17.614 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.717 16.855 2.475 1.00 0.00 H new ATOM 0 HG SER A 34 10.177 18.540 3.974 1.00 0.00 H new ATOM 522 N ALA A 35 10.113 13.991 3.227 1.00 0.00 N ATOM 523 CA ALA A 35 8.970 13.098 3.369 1.00 0.00 C ATOM 524 C ALA A 35 9.232 12.036 4.432 1.00 0.00 C ATOM 525 O ALA A 35 10.381 11.761 4.776 1.00 0.00 O ATOM 526 CB ALA A 35 8.644 12.442 2.035 1.00 0.00 C ATOM 0 H ALA A 35 10.555 13.968 2.308 1.00 0.00 H new ATOM 0 HA ALA A 35 8.114 13.692 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.788 11.778 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.406 13.211 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.504 11.867 1.692 1.00 0.00 H new ATOM 532 N GLN A 36 8.160 11.445 4.948 1.00 0.00 N ATOM 533 CA GLN A 36 8.276 10.415 5.974 1.00 0.00 C ATOM 534 C GLN A 36 7.141 9.402 5.858 1.00 0.00 C ATOM 535 O GLN A 36 6.214 9.580 5.068 1.00 0.00 O ATOM 536 CB GLN A 36 8.270 11.048 7.366 1.00 0.00 C ATOM 537 CG GLN A 36 9.388 12.055 7.581 1.00 0.00 C ATOM 538 CD GLN A 36 9.127 12.976 8.756 1.00 0.00 C ATOM 539 OE1 GLN A 36 8.112 13.672 8.801 1.00 0.00 O ATOM 540 NE2 GLN A 36 10.043 12.984 9.718 1.00 0.00 N ATOM 0 H GLN A 36 7.202 11.661 4.673 1.00 0.00 H new ATOM 0 HA GLN A 36 9.221 9.894 5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.312 11.542 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.353 10.260 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.325 11.522 7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.513 12.652 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.869 12.391 9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.920 13.583 10.534 1.00 0.00 H new ATOM 549 N VAL A 37 7.221 8.338 6.651 1.00 0.00 N ATOM 550 CA VAL A 37 6.201 7.297 6.639 1.00 0.00 C ATOM 551 C VAL A 37 4.813 7.889 6.419 1.00 0.00 C ATOM 552 O VAL A 37 4.042 7.402 5.593 1.00 0.00 O ATOM 553 CB VAL A 37 6.202 6.493 7.953 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.327 5.469 7.951 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.322 7.427 9.147 1.00 0.00 C ATOM 0 H VAL A 37 7.982 8.175 7.310 1.00 0.00 H new ATOM 0 HA VAL A 37 6.443 6.628 5.813 1.00 0.00 H new ATOM 0 HB VAL A 37 5.256 5.957 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.312 4.910 8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.192 4.782 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.284 5.980 7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.321 6.843 10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.252 7.991 9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.479 8.118 9.155 1.00 0.00 H new ATOM 565 N PHE A 38 4.502 8.944 7.165 1.00 0.00 N ATOM 566 CA PHE A 38 3.207 9.604 7.053 1.00 0.00 C ATOM 567 C PHE A 38 2.881 9.921 5.596 1.00 0.00 C ATOM 568 O PHE A 38 1.906 9.413 5.042 1.00 0.00 O ATOM 569 CB PHE A 38 3.192 10.891 7.882 1.00 0.00 C ATOM 570 CG PHE A 38 1.833 11.248 8.411 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.689 10.893 7.715 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.699 11.938 9.605 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.563 11.221 8.199 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.449 12.269 10.094 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.683 11.909 9.391 1.00 0.00 C ATOM 0 H PHE A 38 5.129 9.360 7.853 1.00 0.00 H new ATOM 0 HA PHE A 38 2.447 8.923 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.882 10.782 8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.562 11.713 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.777 10.354 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.581 12.221 10.160 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.447 10.940 7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.358 12.809 11.025 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.661 12.165 9.772 1.00 0.00 H new ATOM 585 N ASP A 39 3.705 10.762 4.982 1.00 0.00 N ATOM 586 CA ASP A 39 3.507 11.147 3.589 1.00 0.00 C ATOM 587 C ASP A 39 3.070 9.949 2.752 1.00 0.00 C ATOM 588 O ASP A 39 2.010 9.970 2.125 1.00 0.00 O ATOM 589 CB ASP A 39 4.792 11.745 3.015 1.00 0.00 C ATOM 590 CG ASP A 39 4.520 12.775 1.937 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.720 12.482 1.024 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.106 13.876 2.007 1.00 0.00 O ATOM 0 H ASP A 39 4.517 11.191 5.427 1.00 0.00 H new ATOM 0 HA ASP A 39 2.719 11.899 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.365 12.207 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.409 10.946 2.603 1.00 0.00 H new ATOM 597 N LEU A 40 3.894 8.907 2.745 1.00 0.00 N ATOM 598 CA LEU A 40 3.593 7.700 1.983 1.00 0.00 C ATOM 599 C LEU A 40 2.393 6.967 2.574 1.00 0.00 C ATOM 600 O LEU A 40 1.742 6.173 1.896 1.00 0.00 O ATOM 601 CB LEU A 40 4.809 6.772 1.959 1.00 0.00 C ATOM 602 CG LEU A 40 4.591 5.395 1.331 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.193 5.532 -0.130 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.844 4.542 1.467 1.00 0.00 C ATOM 0 H LEU A 40 4.775 8.873 3.258 1.00 0.00 H new ATOM 0 HA LEU A 40 3.348 7.996 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.612 7.273 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.154 6.631 2.983 1.00 0.00 H new ATOM 0 HG LEU A 40 3.779 4.899 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.042 4.542 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.268 6.104 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.983 6.048 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.670 3.566 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.675 5.033 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.085 4.415 2.522 1.00 0.00 H new ATOM 616 N ALA A 41 2.103 7.243 3.842 1.00 0.00 N ATOM 617 CA ALA A 41 0.979 6.614 4.523 1.00 0.00 C ATOM 618 C ALA A 41 -0.316 7.378 4.266 1.00 0.00 C ATOM 619 O ALA A 41 -1.404 6.895 4.577 1.00 0.00 O ATOM 620 CB ALA A 41 1.252 6.521 6.017 1.00 0.00 C ATOM 0 H ALA A 41 2.632 7.898 4.418 1.00 0.00 H new ATOM 0 HA ALA A 41 0.861 5.607 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.404 6.049 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.149 5.925 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.399 7.522 6.423 1.00 0.00 H new ATOM 626 N GLN A 42 -0.189 8.573 3.698 1.00 0.00 N ATOM 627 CA GLN A 42 -1.350 9.404 3.401 1.00 0.00 C ATOM 628 C GLN A 42 -1.918 9.074 2.025 1.00 0.00 C ATOM 629 O GLN A 42 -3.098 8.749 1.890 1.00 0.00 O ATOM 630 CB GLN A 42 -0.974 10.885 3.469 1.00 0.00 C ATOM 631 CG GLN A 42 -0.505 11.331 4.845 1.00 0.00 C ATOM 632 CD GLN A 42 -0.815 12.789 5.122 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.929 13.256 4.882 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.171 13.518 5.632 1.00 0.00 N ATOM 0 H GLN A 42 0.705 8.987 3.435 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.115 9.196 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.186 11.085 2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.836 11.484 3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.980 10.711 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.570 11.170 4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.079 13.091 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.020 14.505 5.840 1.00 0.00 H new ATOM 643 N THR A 43 -1.071 9.159 1.004 1.00 0.00 N ATOM 644 CA THR A 43 -1.488 8.871 -0.362 1.00 0.00 C ATOM 645 C THR A 43 -2.282 7.572 -0.432 1.00 0.00 C ATOM 646 O THR A 43 -3.064 7.359 -1.360 1.00 0.00 O ATOM 647 CB THR A 43 -0.279 8.773 -1.310 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.714 8.866 -2.671 1.00 0.00 O ATOM 649 CG2 THR A 43 0.468 7.464 -1.101 1.00 0.00 C ATOM 0 H THR A 43 -0.091 9.425 1.098 1.00 0.00 H new ATOM 0 HA THR A 43 -2.122 9.699 -0.680 1.00 0.00 H new ATOM 0 HB THR A 43 0.396 9.599 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.061 8.804 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.318 7.417 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.824 7.408 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.202 6.627 -1.299 1.00 0.00 H new ATOM 657 N LEU A 44 -2.077 6.705 0.553 1.00 0.00 N ATOM 658 CA LEU A 44 -2.774 5.425 0.604 1.00 0.00 C ATOM 659 C LEU A 44 -3.959 5.488 1.562 1.00 0.00 C ATOM 660 O LEU A 44 -4.974 4.823 1.355 1.00 0.00 O ATOM 661 CB LEU A 44 -1.814 4.315 1.035 1.00 0.00 C ATOM 662 CG LEU A 44 -0.403 4.383 0.449 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.440 3.222 0.952 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.457 4.386 -1.072 1.00 0.00 C ATOM 0 H LEU A 44 -1.433 6.865 1.328 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.149 5.204 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.736 4.332 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.253 3.356 0.762 1.00 0.00 H new ATOM 0 HG LEU A 44 0.062 5.312 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.441 3.287 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.506 3.265 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.022 2.281 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.556 4.435 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.941 3.474 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.024 5.252 -1.414 1.00 0.00 H new ATOM 676 N ARG A 45 -3.824 6.293 2.611 1.00 0.00 N ATOM 677 CA ARG A 45 -4.883 6.444 3.601 1.00 0.00 C ATOM 678 C ARG A 45 -6.255 6.444 2.933 1.00 0.00 C ATOM 679 O ARG A 45 -7.195 5.818 3.423 1.00 0.00 O ATOM 680 CB ARG A 45 -4.690 7.739 4.393 1.00 0.00 C ATOM 681 CG ARG A 45 -5.766 7.978 5.440 1.00 0.00 C ATOM 682 CD ARG A 45 -6.011 9.464 5.656 1.00 0.00 C ATOM 683 NE ARG A 45 -7.346 9.726 6.187 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.940 10.913 6.129 1.00 0.00 C ATOM 685 NH1 ARG A 45 -7.320 11.941 5.565 1.00 0.00 N ATOM 686 NH2 ARG A 45 -9.156 11.073 6.635 1.00 0.00 N ATOM 0 H ARG A 45 -2.991 6.851 2.797 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.830 5.597 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.717 7.714 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.676 8.580 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.693 7.497 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.468 7.516 6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.263 9.859 6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.886 9.993 4.711 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.850 8.956 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.385 11.821 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.778 12.851 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.636 10.284 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.611 11.985 6.590 1.00 0.00 H new ATOM 700 N ASP A 46 -6.362 7.150 1.812 1.00 0.00 N ATOM 701 CA ASP A 46 -7.618 7.231 1.076 1.00 0.00 C ATOM 702 C ASP A 46 -8.059 5.850 0.599 1.00 0.00 C ATOM 703 O ASP A 46 -9.218 5.470 0.753 1.00 0.00 O ATOM 704 CB ASP A 46 -7.474 8.175 -0.118 1.00 0.00 C ATOM 705 CG ASP A 46 -6.226 7.894 -0.931 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.129 8.297 -0.492 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.346 7.271 -2.008 1.00 0.00 O ATOM 0 H ASP A 46 -5.594 7.674 1.394 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.380 7.623 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.350 8.081 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.448 9.205 0.238 1.00 0.00 H new ATOM 712 N GLY A 47 -7.124 5.105 0.017 1.00 0.00 N ATOM 713 CA GLY A 47 -7.435 3.775 -0.475 1.00 0.00 C ATOM 714 C GLY A 47 -7.720 3.760 -1.963 1.00 0.00 C ATOM 715 O GLY A 47 -8.419 2.877 -2.460 1.00 0.00 O ATOM 0 H GLY A 47 -6.157 5.398 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.600 3.107 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.300 3.385 0.062 1.00 0.00 H new ATOM 719 N VAL A 48 -7.179 4.742 -2.678 1.00 0.00 N ATOM 720 CA VAL A 48 -7.379 4.839 -4.119 1.00 0.00 C ATOM 721 C VAL A 48 -6.169 4.306 -4.878 1.00 0.00 C ATOM 722 O VAL A 48 -6.297 3.794 -5.991 1.00 0.00 O ATOM 723 CB VAL A 48 -7.645 6.293 -4.552 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.761 6.386 -6.066 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.899 6.828 -3.879 1.00 0.00 C ATOM 0 H VAL A 48 -6.599 5.482 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.251 4.232 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.802 6.908 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.949 7.420 -6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.832 6.045 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.585 5.759 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.072 7.856 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.754 6.213 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.772 6.799 -2.797 1.00 0.00 H new ATOM 735 N LEU A 49 -4.995 4.430 -4.271 1.00 0.00 N ATOM 736 CA LEU A 49 -3.760 3.961 -4.889 1.00 0.00 C ATOM 737 C LEU A 49 -3.541 2.477 -4.611 1.00 0.00 C ATOM 738 O LEU A 49 -3.357 1.682 -5.533 1.00 0.00 O ATOM 739 CB LEU A 49 -2.568 4.769 -4.373 1.00 0.00 C ATOM 740 CG LEU A 49 -1.220 4.472 -5.031 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.301 4.686 -6.534 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.128 5.340 -4.424 1.00 0.00 C ATOM 0 H LEU A 49 -4.872 4.852 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.847 4.101 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.788 5.828 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.473 4.594 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.970 3.427 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.333 4.470 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.054 4.021 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.574 5.721 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.824 5.115 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.372 6.391 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.053 5.136 -3.356 1.00 0.00 H new ATOM 754 N LEU A 50 -3.565 2.111 -3.334 1.00 0.00 N ATOM 755 CA LEU A 50 -3.371 0.721 -2.933 1.00 0.00 C ATOM 756 C LEU A 50 -3.988 -0.231 -3.953 1.00 0.00 C ATOM 757 O LEU A 50 -3.306 -1.102 -4.495 1.00 0.00 O ATOM 758 CB LEU A 50 -3.986 0.477 -1.554 1.00 0.00 C ATOM 759 CG LEU A 50 -3.066 0.718 -0.357 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.877 0.838 0.924 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.042 -0.401 -0.238 1.00 0.00 C ATOM 0 H LEU A 50 -3.717 2.756 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.299 0.528 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.861 1.119 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.340 -0.553 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.534 1.656 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.205 1.009 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.571 1.674 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.436 -0.083 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.396 -0.213 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.557 -1.352 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.439 -0.440 -1.145 1.00 0.00 H new ATOM 773 N CYS A 51 -5.279 -0.057 -4.211 1.00 0.00 N ATOM 774 CA CYS A 51 -5.988 -0.900 -5.168 1.00 0.00 C ATOM 775 C CYS A 51 -5.234 -0.972 -6.492 1.00 0.00 C ATOM 776 O CYS A 51 -5.090 -2.045 -7.077 1.00 0.00 O ATOM 777 CB CYS A 51 -7.402 -0.366 -5.400 1.00 0.00 C ATOM 778 SG CYS A 51 -8.395 -0.228 -3.896 1.00 0.00 S ATOM 0 H CYS A 51 -5.856 0.660 -3.771 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.051 -1.906 -4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.336 0.615 -5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.916 -1.022 -6.103 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.327 0.988 -3.441 1.00 0.00 H new ATOM 784 N GLN A 52 -4.757 0.178 -6.958 1.00 0.00 N ATOM 785 CA GLN A 52 -4.020 0.245 -8.214 1.00 0.00 C ATOM 786 C GLN A 52 -2.853 -0.737 -8.214 1.00 0.00 C ATOM 787 O GLN A 52 -2.668 -1.498 -9.164 1.00 0.00 O ATOM 788 CB GLN A 52 -3.507 1.666 -8.454 1.00 0.00 C ATOM 789 CG GLN A 52 -4.603 2.719 -8.439 1.00 0.00 C ATOM 790 CD GLN A 52 -4.285 3.904 -9.329 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.517 4.790 -8.952 1.00 0.00 O ATOM 792 NE2 GLN A 52 -4.877 3.928 -10.517 1.00 0.00 N ATOM 0 H GLN A 52 -4.868 1.075 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.701 -0.029 -9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.769 1.911 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.994 1.701 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.540 2.267 -8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.754 3.067 -7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.506 3.173 -10.789 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.703 4.702 -11.158 1.00 0.00 H new ATOM 801 N LEU A 53 -2.067 -0.714 -7.143 1.00 0.00 N ATOM 802 CA LEU A 53 -0.916 -1.602 -7.019 1.00 0.00 C ATOM 803 C LEU A 53 -1.249 -2.999 -7.533 1.00 0.00 C ATOM 804 O LEU A 53 -0.657 -3.471 -8.505 1.00 0.00 O ATOM 805 CB LEU A 53 -0.461 -1.678 -5.561 1.00 0.00 C ATOM 806 CG LEU A 53 0.687 -2.643 -5.265 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.996 -2.102 -5.820 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.803 -2.893 -3.769 1.00 0.00 C ATOM 0 H LEU A 53 -2.206 -0.090 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.107 -1.195 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.161 -0.680 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.316 -1.964 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 53 0.473 -3.592 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.802 -2.802 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.909 -1.976 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.216 -1.139 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.626 -3.582 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.993 -1.950 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.126 -3.326 -3.399 1.00 0.00 H new ATOM 820 N LEU A 54 -2.200 -3.654 -6.877 1.00 0.00 N ATOM 821 CA LEU A 54 -2.613 -4.997 -7.269 1.00 0.00 C ATOM 822 C LEU A 54 -3.006 -5.038 -8.742 1.00 0.00 C ATOM 823 O LEU A 54 -2.703 -5.997 -9.450 1.00 0.00 O ATOM 824 CB LEU A 54 -3.785 -5.464 -6.404 1.00 0.00 C ATOM 825 CG LEU A 54 -3.563 -5.416 -4.892 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.725 -6.072 -4.161 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.250 -6.090 -4.523 1.00 0.00 C ATOM 0 H LEU A 54 -2.700 -3.277 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.768 -5.669 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.654 -4.851 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.031 -6.489 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.510 -4.371 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.550 -6.029 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.649 -5.545 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.810 -7.113 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.109 -6.046 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.273 -7.131 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.426 -5.576 -5.017 1.00 0.00 H new ATOM 839 N ASN A 55 -3.683 -3.988 -9.198 1.00 0.00 N ATOM 840 CA ASN A 55 -4.116 -3.902 -10.588 1.00 0.00 C ATOM 841 C ASN A 55 -2.918 -3.794 -11.526 1.00 0.00 C ATOM 842 O ASN A 55 -2.999 -4.157 -12.698 1.00 0.00 O ATOM 843 CB ASN A 55 -5.041 -2.699 -10.782 1.00 0.00 C ATOM 844 CG ASN A 55 -6.281 -2.777 -9.913 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.635 -3.844 -9.411 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.949 -1.644 -9.732 1.00 0.00 N ATOM 0 H ASN A 55 -3.943 -3.185 -8.625 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.662 -4.814 -10.829 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.496 -1.784 -10.551 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.338 -2.637 -11.829 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.792 -1.635 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.619 -0.782 -10.167 1.00 0.00 H new ATOM 853 N ASN A 56 -1.806 -3.291 -11.000 1.00 0.00 N ATOM 854 CA ASN A 56 -0.590 -3.134 -11.790 1.00 0.00 C ATOM 855 C ASN A 56 0.149 -4.462 -11.921 1.00 0.00 C ATOM 856 O ASN A 56 0.616 -4.821 -13.003 1.00 0.00 O ATOM 857 CB ASN A 56 0.327 -2.088 -11.151 1.00 0.00 C ATOM 858 CG ASN A 56 0.020 -0.682 -11.629 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.096 -0.389 -12.822 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.328 0.197 -10.696 1.00 0.00 N ATOM 0 H ASN A 56 -1.722 -2.985 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.875 -2.797 -12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.223 -2.131 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.365 -2.329 -11.382 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.545 1.159 -10.957 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.378 -0.090 -9.718 1.00 0.00 H new ATOM 867 N LEU A 57 0.251 -5.188 -10.813 1.00 0.00 N ATOM 868 CA LEU A 57 0.932 -6.478 -10.803 1.00 0.00 C ATOM 869 C LEU A 57 0.132 -7.523 -11.573 1.00 0.00 C ATOM 870 O LEU A 57 0.637 -8.138 -12.512 1.00 0.00 O ATOM 871 CB LEU A 57 1.155 -6.948 -9.364 1.00 0.00 C ATOM 872 CG LEU A 57 1.748 -5.916 -8.405 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.918 -6.513 -7.017 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.080 -5.401 -8.932 1.00 0.00 C ATOM 0 H LEU A 57 -0.129 -4.905 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 57 1.898 -6.354 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.199 -7.283 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.814 -7.816 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 57 1.058 -5.075 -8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.341 -5.764 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.948 -6.832 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.587 -7.372 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.487 -4.667 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.778 -6.232 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.930 -4.934 -9.905 1.00 0.00 H new ATOM 886 N ARG A 58 -1.121 -7.716 -11.172 1.00 0.00 N ATOM 887 CA ARG A 58 -1.992 -8.685 -11.825 1.00 0.00 C ATOM 888 C ARG A 58 -3.152 -7.986 -12.527 1.00 0.00 C ATOM 889 O ARG A 58 -3.578 -6.906 -12.119 1.00 0.00 O ATOM 890 CB ARG A 58 -2.530 -9.689 -10.803 1.00 0.00 C ATOM 891 CG ARG A 58 -2.853 -11.049 -11.399 1.00 0.00 C ATOM 892 CD ARG A 58 -3.948 -11.755 -10.613 1.00 0.00 C ATOM 893 NE ARG A 58 -4.608 -12.791 -11.404 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.089 -13.995 -11.616 1.00 0.00 C ATOM 895 NH1 ARG A 58 -2.910 -14.313 -11.100 1.00 0.00 N ATOM 896 NH2 ARG A 58 -4.750 -14.884 -12.346 1.00 0.00 N ATOM 0 H ARG A 58 -1.555 -7.214 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.405 -9.218 -12.573 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.795 -9.815 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.430 -9.280 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.168 -10.928 -12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.955 -11.666 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.520 -12.202 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.687 -11.024 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.517 -12.578 -11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.399 -13.632 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.514 -15.239 -11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.657 -14.643 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.351 -15.808 -12.508 1.00 0.00 H new ATOM 910 N ALA A 59 -3.658 -8.610 -13.586 1.00 0.00 N ATOM 911 CA ALA A 59 -4.770 -8.049 -14.344 1.00 0.00 C ATOM 912 C ALA A 59 -6.108 -8.456 -13.738 1.00 0.00 C ATOM 913 O ALA A 59 -6.256 -9.564 -13.221 1.00 0.00 O ATOM 914 CB ALA A 59 -4.691 -8.489 -15.799 1.00 0.00 C ATOM 0 H ALA A 59 -3.316 -9.504 -13.938 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.697 -6.962 -14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.527 -8.063 -16.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.753 -8.143 -16.233 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.736 -9.577 -15.853 1.00 0.00 H new ATOM 920 N HIS A 60 -7.082 -7.554 -13.805 1.00 0.00 N ATOM 921 CA HIS A 60 -8.409 -7.819 -13.262 1.00 0.00 C ATOM 922 C HIS A 60 -8.339 -8.086 -11.761 1.00 0.00 C ATOM 923 O HIS A 60 -9.106 -8.887 -11.227 1.00 0.00 O ATOM 924 CB HIS A 60 -9.045 -9.013 -13.975 1.00 0.00 C ATOM 925 CG HIS A 60 -9.833 -8.634 -15.192 1.00 0.00 C ATOM 926 ND1 HIS A 60 -11.202 -8.774 -15.276 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.435 -8.115 -16.377 1.00 0.00 C ATOM 928 CE1 HIS A 60 -11.612 -8.360 -16.461 1.00 0.00 C ATOM 929 NE2 HIS A 60 -10.560 -7.954 -17.148 1.00 0.00 N ATOM 0 H HIS A 60 -6.977 -6.633 -14.230 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.026 -6.935 -13.427 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.261 -9.713 -14.263 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.699 -9.536 -13.277 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.422 -7.873 -16.663 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.634 -8.354 -16.809 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.580 -7.581 -18.097 1.00 0.00 H new ATOM 938 N SER A 61 -7.414 -7.410 -11.087 1.00 0.00 N ATOM 939 CA SER A 61 -7.241 -7.578 -9.649 1.00 0.00 C ATOM 940 C SER A 61 -8.320 -6.822 -8.880 1.00 0.00 C ATOM 941 O SER A 61 -8.920 -7.354 -7.946 1.00 0.00 O ATOM 942 CB SER A 61 -5.856 -7.090 -9.221 1.00 0.00 C ATOM 943 OG SER A 61 -4.856 -7.541 -10.117 1.00 0.00 O ATOM 0 H SER A 61 -6.773 -6.741 -11.514 1.00 0.00 H new ATOM 0 HA SER A 61 -7.332 -8.639 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.848 -6.001 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.636 -7.448 -8.215 1.00 0.00 H new ATOM 0 HG SER A 61 -4.796 -6.926 -10.877 1.00 0.00 H new ATOM 949 N ILE A 62 -8.560 -5.578 -9.280 1.00 0.00 N ATOM 950 CA ILE A 62 -9.567 -4.748 -8.630 1.00 0.00 C ATOM 951 C ILE A 62 -10.237 -3.812 -9.630 1.00 0.00 C ATOM 952 O ILE A 62 -9.565 -3.114 -10.389 1.00 0.00 O ATOM 953 CB ILE A 62 -8.956 -3.911 -7.490 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.250 -4.821 -6.483 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.034 -3.087 -6.803 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.580 -4.068 -5.355 1.00 0.00 C ATOM 0 H ILE A 62 -8.071 -5.123 -10.051 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.313 -5.425 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.219 -3.229 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.976 -5.517 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.502 -5.417 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.587 -2.501 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.497 -2.417 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.792 -3.752 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.100 -4.776 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.830 -3.391 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.327 -3.493 -4.807 1.00 0.00 H new ATOM 968 N ASN A 63 -11.566 -3.801 -9.623 1.00 0.00 N ATOM 969 CA ASN A 63 -12.328 -2.949 -10.529 1.00 0.00 C ATOM 970 C ASN A 63 -12.343 -1.506 -10.035 1.00 0.00 C ATOM 971 O ASN A 63 -12.982 -1.189 -9.030 1.00 0.00 O ATOM 972 CB ASN A 63 -13.761 -3.468 -10.667 1.00 0.00 C ATOM 973 CG ASN A 63 -14.537 -2.743 -11.749 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.983 -1.924 -12.482 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.827 -3.042 -11.853 1.00 0.00 N ATOM 0 H ASN A 63 -12.137 -4.372 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.844 -2.975 -11.505 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.738 -4.534 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.279 -3.355 -9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.401 -2.586 -12.563 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.244 -3.728 -11.223 1.00 0.00 H new ATOM 982 N LEU A 64 -11.637 -0.635 -10.746 1.00 0.00 N ATOM 983 CA LEU A 64 -11.569 0.776 -10.381 1.00 0.00 C ATOM 984 C LEU A 64 -12.964 1.344 -10.144 1.00 0.00 C ATOM 985 O LEU A 64 -13.170 2.159 -9.245 1.00 0.00 O ATOM 986 CB LEU A 64 -10.860 1.573 -11.477 1.00 0.00 C ATOM 987 CG LEU A 64 -9.380 1.253 -11.690 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.845 1.986 -12.910 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.573 1.616 -10.451 1.00 0.00 C ATOM 0 H LEU A 64 -11.103 -0.881 -11.579 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.001 0.860 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.386 1.407 -12.417 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.952 2.634 -11.244 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.281 0.181 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.790 1.746 -13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.404 1.678 -13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.957 3.061 -12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.522 1.382 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.679 2.681 -10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.939 1.045 -9.598 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.921 0.908 -10.956 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.299 1.370 -10.834 1.00 0.00 C ATOM 1003 C LYS A 65 -15.886 0.979 -9.482 1.00 0.00 C ATOM 1004 O LYS A 65 -16.642 1.741 -8.880 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.155 0.788 -11.961 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.819 1.349 -13.332 1.00 0.00 C ATOM 1007 CD LYS A 65 -14.403 0.989 -13.750 1.00 0.00 C ATOM 1008 CE LYS A 65 -14.131 1.382 -15.194 1.00 0.00 C ATOM 1009 NZ LYS A 65 -12.825 0.854 -15.676 1.00 0.00 N ATOM 0 H LYS A 65 -13.768 0.235 -11.707 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.300 2.457 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.029 -0.295 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.206 0.983 -11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.525 0.963 -14.067 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.931 2.433 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.691 1.491 -13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.248 -0.083 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.932 1.005 -15.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.138 2.468 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.677 1.143 -16.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.058 1.233 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.827 -0.184 -15.616 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.530 -0.212 -9.009 1.00 0.00 N ATOM 1024 CA GLU A 66 -16.023 -0.702 -7.727 1.00 0.00 C ATOM 1025 C GLU A 66 -15.505 0.161 -6.580 1.00 0.00 C ATOM 1026 O GLU A 66 -16.147 0.273 -5.535 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.600 -2.157 -7.516 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.533 -3.163 -8.169 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.532 -4.504 -7.462 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -17.064 -4.580 -6.334 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -16.001 -5.477 -8.036 1.00 0.00 O ATOM 0 H GLU A 66 -14.903 -0.854 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.111 -0.645 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.595 -2.295 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.551 -2.361 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.546 -2.761 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.238 -3.304 -9.209 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.340 0.768 -6.783 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.736 1.621 -5.766 1.00 0.00 C ATOM 1040 C ILE A 67 -13.962 3.096 -6.082 1.00 0.00 C ATOM 1041 O ILE A 67 -13.846 3.520 -7.230 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.224 1.360 -5.639 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.557 1.416 -7.015 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.972 0.014 -4.976 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.047 1.353 -6.958 1.00 0.00 C ATOM 0 H ILE A 67 -13.796 0.685 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.219 1.376 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.788 2.138 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.924 0.588 -7.622 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.855 2.336 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.898 -0.156 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.418 0.009 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.419 -0.777 -5.578 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.643 1.398 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.669 2.196 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.739 0.420 -6.485 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.284 3.873 -5.052 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.524 5.301 -5.219 1.00 0.00 C ATOM 1059 C ASN A 68 -13.222 6.042 -5.508 1.00 0.00 C ATOM 1060 O ASN A 68 -12.545 6.510 -4.592 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.185 5.878 -3.965 1.00 0.00 C ATOM 1062 CG ASN A 68 -14.440 5.509 -2.697 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -13.579 6.255 -2.231 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -14.769 4.353 -2.133 1.00 0.00 N ATOM 0 H ASN A 68 -14.384 3.537 -4.094 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.193 5.435 -6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.235 6.963 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.211 5.516 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.302 4.051 -1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.489 3.767 -2.555 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.880 9.647 5.141 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.555 8.564 6.061 1.00 0.00 C ATOM 1175 C GLN A 75 -15.184 7.253 5.602 1.00 0.00 C ATOM 1176 O GLN A 75 -14.552 6.197 5.657 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.033 8.906 7.474 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.766 7.806 8.489 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.414 8.081 9.831 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.535 8.586 9.901 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -14.710 7.751 10.908 1.00 0.00 N ATOM 0 HA GLN A 75 -13.472 8.442 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.540 9.821 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.103 9.112 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.137 6.858 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.690 7.696 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.785 7.335 10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.095 7.914 11.838 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.431 7.326 5.151 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.146 6.144 4.683 1.00 0.00 C ATOM 1192 C PHE A 76 -16.466 5.548 3.454 1.00 0.00 C ATOM 1193 O PHE A 76 -15.978 4.418 3.488 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.599 6.497 4.356 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.362 7.045 5.528 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.597 6.260 6.646 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -19.844 8.344 5.512 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.299 6.761 7.726 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.545 8.850 6.590 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.774 8.057 7.698 1.00 0.00 C ATOM 0 H PHE A 76 -16.968 8.192 5.099 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.131 5.401 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.614 7.229 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.107 5.606 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.227 5.246 6.673 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.670 8.968 4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.476 6.139 8.591 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -20.914 9.865 6.566 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.323 8.450 8.541 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.439 6.315 2.370 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.820 5.864 1.129 1.00 0.00 C ATOM 1212 C LEU A 77 -14.377 5.432 1.366 1.00 0.00 C ATOM 1213 O LEU A 77 -13.991 4.310 1.033 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.866 6.976 0.079 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.256 7.499 -0.284 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -17.148 8.697 -1.215 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.090 6.398 -0.923 1.00 0.00 C ATOM 0 H LEU A 77 -16.839 7.252 2.325 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.382 5.004 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.267 7.813 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.389 6.610 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.754 7.819 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.147 9.056 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.589 9.492 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.631 8.403 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.076 6.788 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.596 6.047 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.196 5.569 -0.223 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.584 6.327 1.946 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.183 6.037 2.229 1.00 0.00 C ATOM 1231 C CYS A 78 -12.036 4.686 2.921 1.00 0.00 C ATOM 1232 O CYS A 78 -11.304 3.813 2.453 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.580 7.139 3.102 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.283 8.694 2.228 1.00 0.00 S ATOM 0 H CYS A 78 -13.887 7.259 2.229 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.646 5.999 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.248 7.329 3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.638 6.783 3.518 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.775 9.564 3.050 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.735 4.520 4.039 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.681 3.275 4.797 1.00 0.00 C ATOM 1242 C LEU A 79 -13.019 2.082 3.909 1.00 0.00 C ATOM 1243 O LEU A 79 -12.334 1.059 3.939 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.648 3.334 5.981 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.147 4.076 7.221 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.259 4.206 8.251 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.944 3.361 7.819 1.00 0.00 C ATOM 0 H LEU A 79 -13.345 5.232 4.440 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.665 3.150 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.571 3.808 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.900 2.314 6.270 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.838 5.078 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.884 4.736 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.092 4.761 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.599 3.213 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.600 3.902 8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.227 2.348 8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.142 3.320 7.082 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.077 2.220 3.118 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.504 1.156 2.218 1.00 0.00 C ATOM 1261 C LYS A 80 -13.380 0.766 1.264 1.00 0.00 C ATOM 1262 O LYS A 80 -12.942 -0.384 1.244 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.734 1.597 1.420 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.614 0.443 0.972 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.034 -0.262 -0.242 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.340 0.495 -1.526 1.00 0.00 C ATOM 1267 NZ LYS A 80 -15.322 1.544 -1.807 1.00 0.00 N ATOM 0 H LYS A 80 -14.655 3.059 3.082 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.763 0.286 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.326 2.279 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.407 2.155 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.725 -0.270 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.611 0.815 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.955 -0.361 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.442 -1.271 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.379 -0.206 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.325 0.956 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.379 1.824 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.502 2.372 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.373 1.169 -1.606 1.00 0.00 H new ATOM 1281 N ASN A 81 -12.916 1.731 0.477 1.00 0.00 N ATOM 1282 CA ASN A 81 -11.841 1.487 -0.479 1.00 0.00 C ATOM 1283 C ASN A 81 -10.811 0.521 0.096 1.00 0.00 C ATOM 1284 O ASN A 81 -10.560 -0.544 -0.469 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.164 2.804 -0.862 1.00 0.00 C ATOM 1286 CG ASN A 81 -11.819 3.464 -2.060 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -12.682 2.876 -2.712 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.410 4.693 -2.356 1.00 0.00 N ATOM 0 H ASN A 81 -13.267 2.689 0.482 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.276 1.037 -1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.196 3.486 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.113 2.618 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.814 5.187 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.692 5.142 -1.788 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.217 0.899 1.223 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.215 0.065 1.876 1.00 0.00 C ATOM 1297 C ILE A 82 -9.665 -1.391 1.933 1.00 0.00 C ATOM 1298 O ILE A 82 -8.923 -2.295 1.548 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.919 0.556 3.305 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.359 1.980 3.274 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.946 -0.387 3.998 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.435 2.688 4.608 1.00 0.00 C ATOM 0 H ILE A 82 -10.412 1.778 1.703 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.305 0.139 1.280 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.851 0.565 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.319 1.946 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.906 2.561 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.746 -0.027 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.380 -1.385 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.013 -0.425 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.021 3.692 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.475 2.754 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.864 2.129 5.349 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.884 -1.610 2.414 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.433 -2.956 2.521 1.00 0.00 C ATOM 1316 C ARG A 83 -11.390 -3.669 1.173 1.00 0.00 C ATOM 1317 O ARG A 83 -10.956 -4.818 1.078 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.872 -2.904 3.037 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.978 -2.969 4.552 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.283 -2.364 5.045 1.00 0.00 C ATOM 1321 NE ARG A 83 -15.358 -3.351 5.101 1.00 0.00 N ATOM 1322 CZ ARG A 83 -16.462 -3.196 5.823 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.636 -2.098 6.546 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -17.395 -4.139 5.822 1.00 0.00 N ATOM 0 H ARG A 83 -11.510 -0.872 2.736 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.821 -3.516 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.341 -1.984 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.434 -3.733 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.910 -4.007 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.138 -2.439 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.132 -1.936 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.575 -1.547 4.386 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.255 -4.207 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.921 -1.370 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.485 -1.981 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.265 -4.984 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.242 -4.019 6.377 1.00 0.00 H new ATOM 1338 N THR A 84 -11.844 -2.980 0.130 1.00 0.00 N ATOM 1339 CA THR A 84 -11.860 -3.547 -1.212 1.00 0.00 C ATOM 1340 C THR A 84 -10.500 -4.128 -1.580 1.00 0.00 C ATOM 1341 O THR A 84 -10.414 -5.162 -2.243 1.00 0.00 O ATOM 1342 CB THR A 84 -12.256 -2.493 -2.263 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.502 -1.886 -1.903 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.372 -3.121 -3.643 1.00 0.00 C ATOM 0 H THR A 84 -12.205 -2.028 0.190 1.00 0.00 H new ATOM 0 HA THR A 84 -12.604 -4.344 -1.209 1.00 0.00 H new ATOM 0 HB THR A 84 -11.477 -1.732 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.746 -1.216 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.653 -2.357 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.414 -3.556 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.133 -3.901 -3.625 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.438 -3.458 -1.144 1.00 0.00 N ATOM 1353 CA PHE A 85 -8.080 -3.909 -1.428 1.00 0.00 C ATOM 1354 C PHE A 85 -7.716 -5.113 -0.566 1.00 0.00 C ATOM 1355 O PHE A 85 -7.409 -6.190 -1.081 1.00 0.00 O ATOM 1356 CB PHE A 85 -7.083 -2.774 -1.187 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.707 -3.253 -0.819 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.767 -3.520 -1.801 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.354 -3.435 0.508 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.501 -3.962 -1.466 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -4.090 -3.876 0.850 1.00 0.00 C ATOM 1362 CZ PHE A 85 -3.162 -4.139 -0.139 1.00 0.00 C ATOM 0 H PHE A 85 -9.491 -2.601 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.034 -4.207 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.017 -2.162 -2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.461 -2.132 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.026 -3.381 -2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.076 -3.230 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.778 -4.169 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.828 -4.015 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.173 -4.483 0.125 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.751 -4.925 0.749 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.423 -5.995 1.684 1.00 0.00 C ATOM 1374 C LEU A 86 -8.045 -7.315 1.240 1.00 0.00 C ATOM 1375 O LEU A 86 -7.444 -8.380 1.389 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.909 -5.637 3.090 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.362 -4.335 3.677 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.247 -3.850 4.815 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.931 -4.526 4.156 1.00 0.00 C ATOM 0 H LEU A 86 -8.003 -4.041 1.191 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.339 -6.112 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.997 -5.575 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.647 -6.454 3.762 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.363 -3.577 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.843 -2.923 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.256 -3.673 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.278 -4.606 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.558 -3.589 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.905 -5.299 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.304 -4.827 3.317 1.00 0.00 H new ATOM 1391 N THR A 87 -9.254 -7.240 0.692 1.00 0.00 N ATOM 1392 CA THR A 87 -9.958 -8.428 0.225 1.00 0.00 C ATOM 1393 C THR A 87 -9.270 -9.029 -0.995 1.00 0.00 C ATOM 1394 O THR A 87 -8.985 -10.226 -1.032 1.00 0.00 O ATOM 1395 CB THR A 87 -11.423 -8.110 -0.130 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.049 -7.413 0.953 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.195 -9.385 -0.433 1.00 0.00 C ATOM 0 H THR A 87 -9.766 -6.368 0.561 1.00 0.00 H new ATOM 0 HA THR A 87 -9.939 -9.149 1.042 1.00 0.00 H new ATOM 0 HB THR A 87 -11.430 -7.480 -1.019 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.693 -6.502 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.227 -9.135 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.733 -9.898 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.179 -10.036 0.441 1.00 0.00 H new ATOM 1405 N ALA A 88 -9.005 -8.192 -1.993 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.348 -8.642 -3.214 1.00 0.00 C ATOM 1407 C ALA A 88 -7.051 -9.379 -2.900 1.00 0.00 C ATOM 1408 O ALA A 88 -6.687 -10.334 -3.586 1.00 0.00 O ATOM 1409 CB ALA A 88 -8.077 -7.460 -4.133 1.00 0.00 C ATOM 0 H ALA A 88 -9.235 -7.198 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.016 -9.338 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.586 -7.810 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.019 -6.978 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.431 -6.744 -3.624 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.358 -8.930 -1.859 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.100 -9.547 -1.455 1.00 0.00 C ATOM 1417 C CYS A 89 -5.281 -11.041 -1.209 1.00 0.00 C ATOM 1418 O CYS A 89 -4.306 -11.787 -1.111 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.558 -8.871 -0.194 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.488 -7.450 -0.519 1.00 0.00 S ATOM 0 H CYS A 89 -6.646 -8.141 -1.280 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.383 -9.416 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.398 -8.547 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.002 -9.605 0.388 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.044 -6.372 -0.051 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.534 -11.470 -1.108 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.843 -12.876 -0.870 1.00 0.00 C ATOM 1428 C CYS A 90 -7.665 -13.454 -2.018 1.00 0.00 C ATOM 1429 O CYS A 90 -7.441 -14.586 -2.445 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.602 -13.036 0.448 1.00 0.00 C ATOM 1431 SG CYS A 90 -9.400 -12.939 0.281 1.00 0.00 S ATOM 0 H CYS A 90 -7.352 -10.866 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.903 -13.424 -0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.340 -13.997 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -7.270 -12.264 1.142 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.721 -11.827 -0.311 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.617 -12.668 -2.511 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.473 -13.103 -3.608 1.00 0.00 C ATOM 1439 C GLU A 91 -8.698 -13.140 -4.922 1.00 0.00 C ATOM 1440 O GLU A 91 -8.836 -14.074 -5.713 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.681 -12.174 -3.742 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.415 -11.937 -2.432 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.896 -11.684 -2.631 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -13.251 -10.927 -3.559 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.702 -12.244 -1.858 1.00 0.00 O ATOM 0 H GLU A 91 -8.815 -11.728 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.822 -14.111 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.349 -11.216 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.376 -12.598 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.282 -12.803 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.970 -11.084 -1.920 1.00 0.00 H new ATOM 1452 N THR A 92 -7.882 -12.115 -5.150 1.00 0.00 N ATOM 1453 CA THR A 92 -7.086 -12.028 -6.368 1.00 0.00 C ATOM 1454 C THR A 92 -5.782 -12.805 -6.229 1.00 0.00 C ATOM 1455 O THR A 92 -5.425 -13.598 -7.100 1.00 0.00 O ATOM 1456 CB THR A 92 -6.763 -10.565 -6.724 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.974 -9.842 -6.972 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.863 -10.492 -7.948 1.00 0.00 C ATOM 0 H THR A 92 -7.755 -11.334 -4.507 1.00 0.00 H new ATOM 0 HA THR A 92 -7.683 -12.466 -7.168 1.00 0.00 H new ATOM 0 HB THR A 92 -6.239 -10.116 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.758 -8.952 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.649 -9.449 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.930 -11.018 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.365 -10.957 -8.797 1.00 0.00 H new ATOM 1466 N PHE A 93 -5.075 -12.573 -5.129 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.809 -13.252 -4.876 1.00 0.00 C ATOM 1468 C PHE A 93 -4.022 -14.503 -4.028 1.00 0.00 C ATOM 1469 O PHE A 93 -3.817 -15.623 -4.492 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.830 -12.308 -4.176 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.274 -11.243 -5.078 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.098 -10.258 -5.597 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.929 -11.229 -5.407 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.590 -9.276 -6.428 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.415 -10.250 -6.237 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.247 -9.273 -6.749 1.00 0.00 C ATOM 0 H PHE A 93 -5.357 -11.920 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.389 -13.553 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.335 -11.833 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.006 -12.891 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.149 -10.257 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.274 -11.991 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.243 -8.513 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.636 -10.249 -6.485 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.848 -8.508 -7.399 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.436 -14.301 -2.780 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.669 -15.420 -1.886 1.00 0.00 C ATOM 1488 C GLY A 94 -3.610 -15.531 -0.807 1.00 0.00 C ATOM 1489 O GLY A 94 -2.925 -16.548 -0.703 1.00 0.00 O ATOM 0 H GLY A 94 -4.614 -13.383 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.648 -15.311 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.693 -16.344 -2.464 1.00 0.00 H new ATOM 1493 N MET A 95 -3.474 -14.481 -0.004 1.00 0.00 N ATOM 1494 CA MET A 95 -2.490 -14.466 1.072 1.00 0.00 C ATOM 1495 C MET A 95 -3.171 -14.561 2.434 1.00 0.00 C ATOM 1496 O MET A 95 -4.377 -14.342 2.552 1.00 0.00 O ATOM 1497 CB MET A 95 -1.645 -13.193 1.001 1.00 0.00 C ATOM 1498 CG MET A 95 -0.517 -13.268 -0.016 1.00 0.00 C ATOM 1499 SD MET A 95 -0.062 -11.651 -0.671 1.00 0.00 S ATOM 1500 CE MET A 95 0.176 -10.727 0.845 1.00 0.00 C ATOM 0 H MET A 95 -4.032 -13.630 -0.078 1.00 0.00 H new ATOM 0 HA MET A 95 -1.841 -15.333 0.948 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.291 -12.351 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.223 -12.992 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.356 -13.726 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 95 -0.817 -13.917 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.074 -10.114 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.687 -10.084 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.286 -11.419 1.680 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.392 -14.891 3.459 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.921 -15.017 4.811 1.00 0.00 C ATOM 1512 C ARG A 96 -3.564 -13.710 5.268 1.00 0.00 C ATOM 1513 O ARG A 96 -2.873 -12.765 5.649 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.808 -15.416 5.782 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.394 -16.874 5.667 1.00 0.00 C ATOM 1516 CD ARG A 96 -2.330 -17.783 6.448 1.00 0.00 C ATOM 1517 NE ARG A 96 -3.451 -18.245 5.634 1.00 0.00 N ATOM 1518 CZ ARG A 96 -3.340 -19.172 4.689 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -2.164 -19.733 4.442 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -4.406 -19.540 3.990 1.00 0.00 N ATOM 0 H ARG A 96 -1.392 -15.076 3.378 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.685 -15.795 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.938 -14.785 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.140 -15.220 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.389 -17.170 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.376 -16.994 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.773 -18.643 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.710 -17.249 7.319 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.369 -17.833 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.343 -19.453 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.081 -20.445 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.312 -19.111 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.319 -20.252 3.265 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.891 -13.664 5.226 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.629 -12.475 5.635 1.00 0.00 C ATOM 1536 C LYS A 97 -5.065 -11.904 6.932 1.00 0.00 C ATOM 1537 O LYS A 97 -5.207 -10.713 7.211 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.112 -12.806 5.814 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.913 -12.730 4.525 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.369 -12.389 4.793 1.00 0.00 C ATOM 1541 CE LYS A 97 -10.173 -13.627 5.160 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.726 -14.306 3.956 1.00 0.00 N ATOM 0 H LYS A 97 -5.478 -14.437 4.913 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.523 -11.725 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.204 -13.809 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.544 -12.118 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.477 -11.977 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.852 -13.684 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.430 -11.661 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.803 -11.921 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.539 -14.322 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.989 -13.346 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.267 -15.145 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.352 -13.651 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.946 -14.597 3.333 1.00 0.00 H new ATOM 1556 N SER A 98 -4.423 -12.760 7.720 1.00 0.00 N ATOM 1557 CA SER A 98 -3.839 -12.341 8.989 1.00 0.00 C ATOM 1558 C SER A 98 -2.692 -11.361 8.761 1.00 0.00 C ATOM 1559 O SER A 98 -2.574 -10.355 9.460 1.00 0.00 O ATOM 1560 CB SER A 98 -3.338 -13.557 9.771 1.00 0.00 C ATOM 1561 OG SER A 98 -2.296 -14.217 9.074 1.00 0.00 O ATOM 0 H SER A 98 -4.294 -13.748 7.502 1.00 0.00 H new ATOM 0 HA SER A 98 -4.613 -11.839 9.569 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.981 -13.241 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.162 -14.250 9.940 1.00 0.00 H new ATOM 0 HG SER A 98 -1.992 -14.989 9.595 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.849 -11.664 7.779 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.710 -10.810 7.460 1.00 0.00 C ATOM 1569 C GLU A 99 -1.172 -9.406 7.082 1.00 0.00 C ATOM 1570 O GLU A 99 -0.464 -8.424 7.311 1.00 0.00 O ATOM 1571 CB GLU A 99 0.104 -11.416 6.315 1.00 0.00 C ATOM 1572 CG GLU A 99 0.719 -12.764 6.651 1.00 0.00 C ATOM 1573 CD GLU A 99 1.359 -13.430 5.449 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.501 -12.761 4.405 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.719 -14.622 5.553 1.00 0.00 O ATOM 0 H GLU A 99 -1.933 -12.493 7.191 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.081 -10.740 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.540 -11.527 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.898 -10.723 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.469 -12.632 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.051 -13.419 7.057 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.364 -9.317 6.503 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.922 -8.033 6.092 1.00 0.00 C ATOM 1584 C LEU A 100 -2.983 -7.065 7.270 1.00 0.00 C ATOM 1585 O LEU A 100 -2.838 -7.466 8.425 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.320 -8.227 5.503 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.457 -9.324 4.446 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.908 -9.473 4.017 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.573 -9.021 3.246 1.00 0.00 C ATOM 0 H LEU A 100 -2.963 -10.119 6.307 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.270 -7.608 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.009 -8.448 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.641 -7.283 5.062 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.130 -10.267 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.986 -10.258 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.518 -9.737 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.262 -8.531 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.683 -9.812 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.869 -8.068 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.532 -8.966 3.565 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.202 -5.789 6.969 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.284 -4.764 8.002 1.00 0.00 C ATOM 1603 C PHE A 101 -4.734 -4.354 8.248 1.00 0.00 C ATOM 1604 O PHE A 101 -5.615 -4.640 7.438 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.458 -3.540 7.603 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.782 -3.018 6.232 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -2.193 -3.573 5.108 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -3.678 -1.973 6.069 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -2.490 -3.094 3.846 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -3.978 -1.491 4.809 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.384 -2.053 3.696 1.00 0.00 C ATOM 0 H PHE A 101 -3.326 -5.441 6.018 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.881 -5.181 8.925 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.622 -2.747 8.333 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.400 -3.797 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.494 -4.389 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.147 -1.531 6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.023 -3.534 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.677 -0.675 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.618 -1.679 2.710 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.971 -3.684 9.372 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.313 -3.237 9.725 1.00 0.00 C ATOM 1623 C GLU A 102 -6.768 -2.106 8.808 1.00 0.00 C ATOM 1624 O GLU A 102 -5.950 -1.361 8.270 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.353 -2.774 11.183 1.00 0.00 C ATOM 1626 CG GLU A 102 -7.707 -2.968 11.845 1.00 0.00 C ATOM 1627 CD GLU A 102 -7.733 -2.465 13.276 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -7.498 -1.257 13.485 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -7.989 -3.282 14.186 1.00 0.00 O ATOM 0 H GLU A 102 -4.252 -3.439 10.053 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.994 -4.079 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.599 -3.320 11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.083 -1.719 11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.469 -2.446 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.966 -4.027 11.831 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.080 -1.985 8.634 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.645 -0.944 7.784 1.00 0.00 C ATOM 1638 C ALA A 103 -8.553 0.423 8.454 1.00 0.00 C ATOM 1639 O ALA A 103 -8.603 1.457 7.787 1.00 0.00 O ATOM 1640 CB ALA A 103 -10.092 -1.270 7.441 1.00 0.00 C ATOM 0 H ALA A 103 -8.771 -2.595 9.070 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.064 -0.907 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.501 -0.484 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.135 -2.223 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.677 -1.337 8.358 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.419 0.420 9.776 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.322 1.661 10.536 1.00 0.00 C ATOM 1648 C PHE A 104 -6.867 2.097 10.682 1.00 0.00 C ATOM 1649 O PHE A 104 -6.518 3.240 10.389 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.955 1.487 11.918 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.293 2.788 12.590 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.309 3.592 12.101 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.593 3.205 13.711 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.622 4.789 12.718 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.902 4.401 14.332 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.917 5.194 13.834 1.00 0.00 C ATOM 0 H PHE A 104 -8.375 -0.427 10.343 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.862 2.435 9.991 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.862 0.891 11.821 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.271 0.925 12.554 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.863 3.280 11.228 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.798 2.589 14.104 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.417 5.407 12.327 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.350 4.715 15.206 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.159 6.129 14.317 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.023 1.177 11.138 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.606 1.465 11.323 1.00 0.00 C ATOM 1668 C ASP A 105 -4.082 2.358 10.203 1.00 0.00 C ATOM 1669 O ASP A 105 -3.277 3.260 10.439 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.802 0.165 11.374 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.443 -0.348 9.993 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -2.665 0.331 9.292 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -3.942 -1.429 9.614 1.00 0.00 O ATOM 0 H ASP A 105 -6.296 0.226 11.386 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.489 1.993 12.269 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.889 0.328 11.947 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.378 -0.595 11.902 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.542 2.101 8.984 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.119 2.881 7.826 1.00 0.00 C ATOM 1680 C LEU A 106 -4.839 4.224 7.782 1.00 0.00 C ATOM 1681 O LEU A 106 -4.211 5.272 7.626 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.389 2.103 6.536 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.046 2.825 5.233 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.545 2.805 4.990 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.786 2.193 4.063 1.00 0.00 C ATOM 0 H LEU A 106 -5.208 1.358 8.771 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.048 3.066 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.824 1.172 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.445 1.834 6.512 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.365 3.864 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.320 3.324 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.036 3.304 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.201 1.773 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.530 2.719 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.498 1.146 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.861 2.261 4.233 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.160 4.187 7.924 1.00 0.00 N ATOM 1698 CA PHE A 107 -6.966 5.402 7.902 1.00 0.00 C ATOM 1699 C PHE A 107 -6.450 6.415 8.920 1.00 0.00 C ATOM 1700 O PHE A 107 -6.093 7.539 8.567 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.432 5.073 8.190 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.375 6.192 7.853 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.377 6.756 6.587 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.261 6.678 8.800 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.244 7.786 6.274 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.131 7.708 8.493 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.122 8.262 7.228 1.00 0.00 C ATOM 0 H PHE A 107 -6.695 3.329 8.056 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.889 5.841 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.715 4.187 7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.539 4.824 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.694 6.387 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.273 6.247 9.790 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.235 8.218 5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.816 8.079 9.241 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.801 9.066 6.985 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.416 6.009 10.184 1.00 0.00 N ATOM 1718 CA ASP A 108 -5.944 6.880 11.255 1.00 0.00 C ATOM 1719 C ASP A 108 -4.419 6.922 11.289 1.00 0.00 C ATOM 1720 O ASP A 108 -3.825 7.560 12.157 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.484 6.403 12.604 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.637 7.536 13.599 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.627 8.288 13.494 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -5.765 7.671 14.484 1.00 0.00 O ATOM 0 H ASP A 108 -6.710 5.082 10.493 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.313 7.887 11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.450 5.921 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.812 5.650 13.016 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.792 6.236 10.338 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.337 6.195 10.259 1.00 0.00 C ATOM 1731 C VAL A 109 -1.723 5.829 11.606 1.00 0.00 C ATOM 1732 O VAL A 109 -0.660 6.330 11.972 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.762 7.547 9.796 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.382 7.358 9.184 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.705 8.216 8.808 1.00 0.00 C ATOM 0 H VAL A 109 -4.269 5.701 9.612 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.081 5.429 9.527 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.662 8.197 10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.009 8.323 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.289 6.924 9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.453 6.691 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.283 9.170 8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.838 7.572 7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.670 8.387 9.285 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.401 4.953 12.340 1.00 0.00 N ATOM 1746 CA ARG A 110 -1.923 4.520 13.648 1.00 0.00 C ATOM 1747 C ARG A 110 -0.518 3.934 13.546 1.00 0.00 C ATOM 1748 O ARG A 110 0.444 4.510 14.054 1.00 0.00 O ATOM 1749 CB ARG A 110 -2.877 3.485 14.246 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.312 3.974 14.362 1.00 0.00 C ATOM 1751 CD ARG A 110 -5.067 3.229 15.452 1.00 0.00 C ATOM 1752 NE ARG A 110 -5.262 1.821 15.119 1.00 0.00 N ATOM 1753 CZ ARG A 110 -5.712 0.917 15.981 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -6.014 1.273 17.222 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -5.863 -0.346 15.603 1.00 0.00 N ATOM 0 H ARG A 110 -3.283 4.529 12.052 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.888 5.392 14.302 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.857 2.586 13.630 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.518 3.201 15.235 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.317 5.042 14.579 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.822 3.840 13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.518 3.307 16.391 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.036 3.702 15.609 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.040 1.515 14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.901 2.243 17.516 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.360 0.577 17.883 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.633 -0.624 14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.209 -1.039 16.267 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.408 2.786 12.888 1.00 0.00 N ATOM 1770 CA ASP A 111 0.879 2.121 12.719 1.00 0.00 C ATOM 1771 C ASP A 111 1.105 1.737 11.260 1.00 0.00 C ATOM 1772 O ASP A 111 0.698 0.661 10.821 1.00 0.00 O ATOM 1773 CB ASP A 111 0.955 0.877 13.605 1.00 0.00 C ATOM 1774 CG ASP A 111 1.222 1.217 15.058 1.00 0.00 C ATOM 1775 OD1 ASP A 111 1.873 2.251 15.316 1.00 0.00 O ATOM 1776 OD2 ASP A 111 0.779 0.449 15.937 1.00 0.00 O ATOM 0 H ASP A 111 -1.195 2.296 12.462 1.00 0.00 H new ATOM 0 HA ASP A 111 1.662 2.818 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.019 0.324 13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.744 0.220 13.238 1.00 0.00 H new ATOM 1781 N PHE A 112 1.756 2.623 10.513 1.00 0.00 N ATOM 1782 CA PHE A 112 2.034 2.377 9.103 1.00 0.00 C ATOM 1783 C PHE A 112 2.927 1.152 8.930 1.00 0.00 C ATOM 1784 O PHE A 112 2.810 0.418 7.951 1.00 0.00 O ATOM 1785 CB PHE A 112 2.700 3.601 8.472 1.00 0.00 C ATOM 1786 CG PHE A 112 2.764 3.543 6.973 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.634 3.243 6.229 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.954 3.788 6.307 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.691 3.188 4.849 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.017 3.734 4.927 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.883 3.435 4.197 1.00 0.00 C ATOM 0 H PHE A 112 2.101 3.518 10.861 1.00 0.00 H new ATOM 0 HA PHE A 112 1.086 2.187 8.599 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.154 4.496 8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.711 3.699 8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.698 3.050 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.843 4.024 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.803 2.952 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.951 3.925 4.420 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.929 3.394 3.119 1.00 0.00 H new ATOM 1801 N GLY A 113 3.822 0.940 9.891 1.00 0.00 N ATOM 1802 CA GLY A 113 4.723 -0.196 9.827 1.00 0.00 C ATOM 1803 C GLY A 113 4.004 -1.489 9.496 1.00 0.00 C ATOM 1804 O GLY A 113 4.539 -2.342 8.787 1.00 0.00 O ATOM 0 H GLY A 113 3.939 1.534 10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.488 -0.007 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.236 -0.303 10.783 1.00 0.00 H new ATOM 1808 N LYS A 114 2.788 -1.636 10.011 1.00 0.00 N ATOM 1809 CA LYS A 114 1.994 -2.834 9.767 1.00 0.00 C ATOM 1810 C LYS A 114 1.567 -2.916 8.305 1.00 0.00 C ATOM 1811 O LYS A 114 1.492 -4.002 7.730 1.00 0.00 O ATOM 1812 CB LYS A 114 0.759 -2.844 10.671 1.00 0.00 C ATOM 1813 CG LYS A 114 1.089 -2.932 12.151 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.125 -3.336 12.970 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.247 -4.849 13.077 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.029 -5.423 11.947 1.00 0.00 N ATOM 0 H LYS A 114 2.331 -0.940 10.600 1.00 0.00 H new ATOM 0 HA LYS A 114 2.612 -3.702 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.179 -1.939 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.126 -3.688 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.889 -3.656 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.460 -1.968 12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.052 -2.904 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.026 -2.929 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.748 -5.293 13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.727 -5.109 14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.491 -6.302 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.752 -4.740 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.391 -5.629 11.152 1.00 0.00 H new ATOM 1830 N VAL A 115 1.290 -1.761 7.708 1.00 0.00 N ATOM 1831 CA VAL A 115 0.873 -1.702 6.312 1.00 0.00 C ATOM 1832 C VAL A 115 2.041 -1.997 5.378 1.00 0.00 C ATOM 1833 O VAL A 115 1.871 -2.634 4.338 1.00 0.00 O ATOM 1834 CB VAL A 115 0.283 -0.324 5.960 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.413 -0.370 4.609 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.675 0.139 7.047 1.00 0.00 C ATOM 0 H VAL A 115 1.347 -0.853 8.170 1.00 0.00 H new ATOM 0 HA VAL A 115 0.103 -2.462 6.179 1.00 0.00 H new ATOM 0 HB VAL A 115 1.099 0.395 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.824 0.613 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.305 -0.654 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.220 -1.102 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.082 1.115 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.489 -0.580 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.141 0.214 7.994 1.00 0.00 H new ATOM 1846 N ILE A 116 3.226 -1.530 5.755 1.00 0.00 N ATOM 1847 CA ILE A 116 4.423 -1.745 4.951 1.00 0.00 C ATOM 1848 C ILE A 116 4.787 -3.224 4.893 1.00 0.00 C ATOM 1849 O ILE A 116 4.949 -3.791 3.813 1.00 0.00 O ATOM 1850 CB ILE A 116 5.622 -0.953 5.504 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.263 0.527 5.645 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.833 -1.126 4.600 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.358 1.357 6.279 1.00 0.00 C ATOM 0 H ILE A 116 3.383 -1.000 6.612 1.00 0.00 H new ATOM 0 HA ILE A 116 4.197 -1.390 3.946 1.00 0.00 H new ATOM 0 HB ILE A 116 5.871 -1.342 6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.035 0.933 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.357 0.617 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.672 -0.560 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.099 -2.182 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.596 -0.760 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.034 2.396 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.570 0.977 7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.259 1.297 5.669 1.00 0.00 H new ATOM 1865 N GLU A 117 4.914 -3.843 6.063 1.00 0.00 N ATOM 1866 CA GLU A 117 5.258 -5.258 6.144 1.00 0.00 C ATOM 1867 C GLU A 117 4.428 -6.078 5.160 1.00 0.00 C ATOM 1868 O GLU A 117 4.966 -6.868 4.384 1.00 0.00 O ATOM 1869 CB GLU A 117 5.042 -5.777 7.567 1.00 0.00 C ATOM 1870 CG GLU A 117 5.568 -7.186 7.787 1.00 0.00 C ATOM 1871 CD GLU A 117 7.069 -7.223 7.995 1.00 0.00 C ATOM 1872 OE1 GLU A 117 7.764 -6.338 7.452 1.00 0.00 O ATOM 1873 OE2 GLU A 117 7.549 -8.135 8.699 1.00 0.00 O ATOM 0 H GLU A 117 4.784 -3.388 6.966 1.00 0.00 H new ATOM 0 HA GLU A 117 6.310 -5.365 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.531 -5.102 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.976 -5.756 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.074 -7.623 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.309 -7.805 6.928 1.00 0.00 H new ATOM 1880 N THR A 118 3.114 -5.883 5.198 1.00 0.00 N ATOM 1881 CA THR A 118 2.209 -6.605 4.312 1.00 0.00 C ATOM 1882 C THR A 118 2.740 -6.627 2.884 1.00 0.00 C ATOM 1883 O THR A 118 2.744 -7.670 2.229 1.00 0.00 O ATOM 1884 CB THR A 118 0.802 -5.977 4.315 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.235 -6.052 5.628 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.108 -6.686 3.323 1.00 0.00 C ATOM 0 H THR A 118 2.653 -5.231 5.833 1.00 0.00 H new ATOM 0 HA THR A 118 2.145 -7.626 4.688 1.00 0.00 H new ATOM 0 HB THR A 118 0.893 -4.932 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.177 -6.990 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.096 -6.226 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.312 -6.603 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.193 -7.738 3.595 1.00 0.00 H new ATOM 1894 N LEU A 119 3.187 -5.472 2.405 1.00 0.00 N ATOM 1895 CA LEU A 119 3.722 -5.359 1.053 1.00 0.00 C ATOM 1896 C LEU A 119 5.029 -6.133 0.918 1.00 0.00 C ATOM 1897 O LEU A 119 5.301 -6.735 -0.121 1.00 0.00 O ATOM 1898 CB LEU A 119 3.947 -3.889 0.693 1.00 0.00 C ATOM 1899 CG LEU A 119 2.831 -2.923 1.091 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.272 -1.482 0.881 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.565 -3.215 0.298 1.00 0.00 C ATOM 0 H LEU A 119 3.190 -4.599 2.933 1.00 0.00 H new ATOM 0 HA LEU A 119 2.994 -5.788 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.872 -3.558 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.095 -3.818 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 119 2.614 -3.065 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.465 -0.809 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.151 -1.278 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.517 -1.326 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.781 -2.518 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.768 -3.101 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.238 -4.235 0.498 1.00 0.00 H new ATOM 1913 N SER A 120 5.834 -6.114 1.975 1.00 0.00 N ATOM 1914 CA SER A 120 7.114 -6.813 1.975 1.00 0.00 C ATOM 1915 C SER A 120 6.931 -8.281 1.604 1.00 0.00 C ATOM 1916 O SER A 120 7.734 -8.852 0.866 1.00 0.00 O ATOM 1917 CB SER A 120 7.781 -6.701 3.347 1.00 0.00 C ATOM 1918 OG SER A 120 7.390 -7.768 4.193 1.00 0.00 O ATOM 0 H SER A 120 5.623 -5.622 2.843 1.00 0.00 H new ATOM 0 HA SER A 120 7.755 -6.345 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.865 -6.705 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.514 -5.750 3.808 1.00 0.00 H new ATOM 0 HG SER A 120 6.471 -7.623 4.499 1.00 0.00 H new ATOM 1924 N ARG A 121 5.868 -8.888 2.123 1.00 0.00 N ATOM 1925 CA ARG A 121 5.579 -10.290 1.848 1.00 0.00 C ATOM 1926 C ARG A 121 4.892 -10.449 0.495 1.00 0.00 C ATOM 1927 O ARG A 121 5.291 -11.280 -0.322 1.00 0.00 O ATOM 1928 CB ARG A 121 4.696 -10.877 2.952 1.00 0.00 C ATOM 1929 CG ARG A 121 5.297 -10.753 4.342 1.00 0.00 C ATOM 1930 CD ARG A 121 4.265 -11.038 5.422 1.00 0.00 C ATOM 1931 NE ARG A 121 4.888 -11.335 6.709 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.262 -11.213 7.875 1.00 0.00 C ATOM 1933 NH1 ARG A 121 3.001 -10.803 7.914 1.00 0.00 N ATOM 1934 NH2 ARG A 121 4.896 -11.503 9.004 1.00 0.00 N ATOM 0 H ARG A 121 5.193 -8.431 2.736 1.00 0.00 H new ATOM 0 HA ARG A 121 6.525 -10.831 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.729 -10.375 2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.512 -11.930 2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 121 6.131 -11.447 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.699 -9.749 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.605 -10.177 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.644 -11.880 5.117 1.00 0.00 H new ATOM 0 HE ARG A 121 5.857 -11.654 6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.510 -10.581 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.522 -10.710 8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.865 -11.820 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.414 -11.409 9.898 1.00 0.00 H new ATOM 1948 N LEU A 122 3.858 -9.648 0.265 1.00 0.00 N ATOM 1949 CA LEU A 122 3.114 -9.699 -0.990 1.00 0.00 C ATOM 1950 C LEU A 122 4.057 -9.888 -2.174 1.00 0.00 C ATOM 1951 O LEU A 122 3.861 -10.780 -3.000 1.00 0.00 O ATOM 1952 CB LEU A 122 2.296 -8.420 -1.173 1.00 0.00 C ATOM 1953 CG LEU A 122 1.915 -8.068 -2.612 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.889 -9.054 -3.149 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.380 -6.645 -2.688 1.00 0.00 C ATOM 0 H LEU A 122 3.515 -8.955 0.930 1.00 0.00 H new ATOM 0 HA LEU A 122 2.437 -10.552 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.381 -8.511 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.861 -7.588 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 122 2.810 -8.133 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.630 -8.788 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.307 -10.060 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.006 -9.021 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.114 -6.411 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.497 -6.554 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.146 -5.950 -2.344 1.00 0.00 H new ATOM 1967 N SER A 123 5.081 -9.044 -2.249 1.00 0.00 N ATOM 1968 CA SER A 123 6.054 -9.117 -3.333 1.00 0.00 C ATOM 1969 C SER A 123 6.438 -10.565 -3.622 1.00 0.00 C ATOM 1970 O SER A 123 6.564 -10.965 -4.779 1.00 0.00 O ATOM 1971 CB SER A 123 7.303 -8.307 -2.980 1.00 0.00 C ATOM 1972 OG SER A 123 7.978 -8.868 -1.868 1.00 0.00 O ATOM 0 H SER A 123 5.258 -8.302 -1.572 1.00 0.00 H new ATOM 0 HA SER A 123 5.597 -8.695 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.974 -8.275 -3.838 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.022 -7.278 -2.757 1.00 0.00 H new ATOM 0 HG SER A 123 7.533 -8.589 -1.041 1.00 0.00 H new ATOM 1978 N ARG A 124 6.621 -11.345 -2.562 1.00 0.00 N ATOM 1979 CA ARG A 124 6.991 -12.748 -2.701 1.00 0.00 C ATOM 1980 C ARG A 124 6.148 -13.429 -3.774 1.00 0.00 C ATOM 1981 O ARG A 124 6.655 -14.224 -4.566 1.00 0.00 O ATOM 1982 CB ARG A 124 6.823 -13.476 -1.366 1.00 0.00 C ATOM 1983 CG ARG A 124 7.806 -13.025 -0.298 1.00 0.00 C ATOM 1984 CD ARG A 124 9.175 -13.657 -0.497 1.00 0.00 C ATOM 1985 NE ARG A 124 9.123 -15.114 -0.411 1.00 0.00 N ATOM 1986 CZ ARG A 124 10.062 -15.913 -0.904 1.00 0.00 C ATOM 1987 NH1 ARG A 124 11.120 -15.399 -1.516 1.00 0.00 N ATOM 1988 NH2 ARG A 124 9.944 -17.229 -0.786 1.00 0.00 N ATOM 0 H ARG A 124 6.519 -11.029 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 124 8.037 -12.794 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.807 -13.320 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.942 -14.547 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.898 -11.939 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.422 -13.290 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.571 -13.365 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.864 -13.274 0.256 1.00 0.00 H new ATOM 0 HE ARG A 124 8.321 -15.541 0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.214 -14.388 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.840 -16.015 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 124 9.131 -17.628 -0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 124 10.666 -17.842 -1.165 1.00 0.00 H new ATOM 2002 N THR A 125 4.857 -13.113 -3.794 1.00 0.00 N ATOM 2003 CA THR A 125 3.942 -13.696 -4.768 1.00 0.00 C ATOM 2004 C THR A 125 4.595 -13.800 -6.142 1.00 0.00 C ATOM 2005 O THR A 125 5.421 -12.972 -6.527 1.00 0.00 O ATOM 2006 CB THR A 125 2.649 -12.868 -4.889 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.954 -11.545 -5.344 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.925 -12.796 -3.553 1.00 0.00 C ATOM 0 H THR A 125 4.421 -12.456 -3.147 1.00 0.00 H new ATOM 0 HA THR A 125 3.693 -14.695 -4.410 1.00 0.00 H new ATOM 0 HB THR A 125 1.997 -13.358 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.513 -11.091 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.015 -12.206 -3.664 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.667 -13.803 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.573 -12.327 -2.813 1.00 0.00 H new ATOM 2016 N PRO A 126 4.219 -14.841 -6.900 1.00 0.00 N ATOM 2017 CA PRO A 126 4.755 -15.077 -8.243 1.00 0.00 C ATOM 2018 C PRO A 126 4.270 -14.041 -9.251 1.00 0.00 C ATOM 2019 O PRO A 126 4.635 -14.087 -10.427 1.00 0.00 O ATOM 2020 CB PRO A 126 4.217 -16.464 -8.601 1.00 0.00 C ATOM 2021 CG PRO A 126 2.981 -16.614 -7.782 1.00 0.00 C ATOM 2022 CD PRO A 126 3.239 -15.866 -6.503 1.00 0.00 C ATOM 0 HA PRO A 126 5.843 -15.008 -8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.998 -16.541 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.943 -17.243 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 126 2.115 -16.207 -8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.769 -17.665 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.327 -15.419 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.635 -16.521 -5.727 1.00 0.00 H new ATOM 2030 N ILE A 127 3.447 -13.108 -8.785 1.00 0.00 N ATOM 2031 CA ILE A 127 2.914 -12.060 -9.646 1.00 0.00 C ATOM 2032 C ILE A 127 3.761 -10.795 -9.561 1.00 0.00 C ATOM 2033 O ILE A 127 3.944 -10.090 -10.554 1.00 0.00 O ATOM 2034 CB ILE A 127 1.459 -11.715 -9.279 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.545 -12.913 -9.545 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.989 -10.499 -10.063 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.403 -13.840 -8.358 1.00 0.00 C ATOM 0 H ILE A 127 3.135 -13.057 -7.815 1.00 0.00 H new ATOM 0 HA ILE A 127 2.941 -12.445 -10.665 1.00 0.00 H new ATOM 0 HB ILE A 127 1.415 -11.477 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.442 -12.550 -9.832 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.936 -13.477 -10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.041 -10.268 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.626 -9.646 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.045 -10.711 -11.131 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.259 -14.666 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.382 -14.232 -8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.017 -13.291 -7.516 1.00 0.00 H new ATOM 2049 N ALA A 128 4.278 -10.514 -8.370 1.00 0.00 N ATOM 2050 CA ALA A 128 5.110 -9.336 -8.156 1.00 0.00 C ATOM 2051 C ALA A 128 6.497 -9.527 -8.760 1.00 0.00 C ATOM 2052 O ALA A 128 7.026 -8.632 -9.421 1.00 0.00 O ATOM 2053 CB ALA A 128 5.216 -9.028 -6.670 1.00 0.00 C ATOM 0 H ALA A 128 4.135 -11.086 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 128 4.638 -8.491 -8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.840 -8.146 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.221 -8.839 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.663 -9.878 -6.153 1.00 0.00 H new ATOM 2059 N LEU A 129 7.082 -10.697 -8.528 1.00 0.00 N ATOM 2060 CA LEU A 129 8.410 -11.004 -9.049 1.00 0.00 C ATOM 2061 C LEU A 129 8.377 -11.159 -10.566 1.00 0.00 C ATOM 2062 O LEU A 129 9.292 -10.723 -11.264 1.00 0.00 O ATOM 2063 CB LEU A 129 8.947 -12.284 -8.406 1.00 0.00 C ATOM 2064 CG LEU A 129 8.889 -12.344 -6.879 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.349 -13.704 -6.380 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.735 -11.236 -6.269 1.00 0.00 C ATOM 0 H LEU A 129 6.658 -11.448 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 129 9.072 -10.174 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.386 -13.130 -8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.984 -12.415 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 129 7.855 -12.197 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.301 -13.727 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.701 -14.480 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.375 -13.882 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.682 -11.294 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.771 -11.351 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.359 -10.268 -6.599 1.00 0.00 H new ATOM 2078 N ALA A 130 7.316 -11.781 -11.070 1.00 0.00 N ATOM 2079 CA ALA A 130 7.162 -11.989 -12.504 1.00 0.00 C ATOM 2080 C ALA A 130 7.583 -10.750 -13.287 1.00 0.00 C ATOM 2081 O ALA A 130 8.354 -10.839 -14.243 1.00 0.00 O ATOM 2082 CB ALA A 130 5.723 -12.359 -12.832 1.00 0.00 C ATOM 0 H ALA A 130 6.550 -12.150 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 130 7.814 -12.812 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.622 -12.511 -13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.455 -13.277 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.059 -11.554 -12.516 1.00 0.00 H new ATOM 2088 N THR A 131 7.071 -9.594 -12.876 1.00 0.00 N ATOM 2089 CA THR A 131 7.393 -8.337 -13.540 1.00 0.00 C ATOM 2090 C THR A 131 8.897 -8.089 -13.550 1.00 0.00 C ATOM 2091 O THR A 131 9.442 -7.561 -14.518 1.00 0.00 O ATOM 2092 CB THR A 131 6.693 -7.146 -12.858 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.257 -6.924 -11.560 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.198 -7.398 -12.730 1.00 0.00 C ATOM 0 H THR A 131 6.432 -9.502 -12.087 1.00 0.00 H new ATOM 0 HA THR A 131 7.035 -8.421 -14.566 1.00 0.00 H new ATOM 0 HB THR A 131 6.845 -6.261 -13.476 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.033 -7.676 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.725 -6.544 -12.246 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.766 -7.538 -13.721 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.030 -8.293 -12.131 1.00 0.00 H new ATOM 2102 N GLY A 132 9.563 -8.476 -12.466 1.00 0.00 N ATOM 2103 CA GLY A 132 10.999 -8.288 -12.372 1.00 0.00 C ATOM 2104 C GLY A 132 11.370 -7.016 -11.635 1.00 0.00 C ATOM 2105 O GLY A 132 12.470 -6.489 -11.808 1.00 0.00 O ATOM 0 H GLY A 132 9.134 -8.916 -11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.442 -9.143 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.425 -8.261 -13.375 1.00 0.00 H new ATOM 2109 N ILE A 133 10.451 -6.521 -10.813 1.00 0.00 N ATOM 2110 CA ILE A 133 10.688 -5.303 -10.048 1.00 0.00 C ATOM 2111 C ILE A 133 11.491 -5.594 -8.785 1.00 0.00 C ATOM 2112 O ILE A 133 11.315 -6.636 -8.152 1.00 0.00 O ATOM 2113 CB ILE A 133 9.365 -4.618 -9.656 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.553 -4.276 -10.907 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.640 -3.367 -8.836 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.090 -4.014 -10.624 1.00 0.00 C ATOM 0 H ILE A 133 9.536 -6.944 -10.660 1.00 0.00 H new ATOM 0 HA ILE A 133 11.258 -4.633 -10.691 1.00 0.00 H new ATOM 0 HB ILE A 133 8.782 -5.307 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.986 -3.396 -11.382 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.636 -5.096 -11.620 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.696 -2.894 -8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.182 -3.638 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.240 -2.672 -9.423 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.576 -3.778 -11.556 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.641 -4.901 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.997 -3.174 -9.936 1.00 0.00 H new ATOM 2128 N ARG A 134 12.371 -4.667 -8.422 1.00 0.00 N ATOM 2129 CA ARG A 134 13.200 -4.824 -7.234 1.00 0.00 C ATOM 2130 C ARG A 134 12.392 -5.410 -6.080 1.00 0.00 C ATOM 2131 O ARG A 134 11.622 -4.717 -5.414 1.00 0.00 O ATOM 2132 CB ARG A 134 13.797 -3.477 -6.820 1.00 0.00 C ATOM 2133 CG ARG A 134 14.896 -2.987 -7.749 1.00 0.00 C ATOM 2134 CD ARG A 134 16.171 -3.799 -7.580 1.00 0.00 C ATOM 2135 NE ARG A 134 16.856 -3.488 -6.328 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.945 -4.123 -5.910 1.00 0.00 C ATOM 2137 NH1 ARG A 134 18.470 -5.098 -6.639 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.512 -3.782 -4.759 1.00 0.00 N ATOM 0 H ARG A 134 12.528 -3.799 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 134 14.009 -5.513 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.002 -2.732 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.198 -3.562 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.556 -3.052 -8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 134 15.103 -1.936 -7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 134 15.930 -4.862 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 134 16.840 -3.602 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 134 16.478 -2.743 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 134 18.037 -5.363 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 134 19.306 -5.583 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.111 -3.032 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.348 -4.270 -4.438 1.00 0.00 H new ATOM 2152 N PRO A 135 12.569 -6.717 -5.836 1.00 0.00 N ATOM 2153 CA PRO A 135 11.865 -7.425 -4.763 1.00 0.00 C ATOM 2154 C PRO A 135 12.343 -7.002 -3.378 1.00 0.00 C ATOM 2155 O PRO A 135 13.357 -6.317 -3.243 1.00 0.00 O ATOM 2156 CB PRO A 135 12.209 -8.894 -5.022 1.00 0.00 C ATOM 2157 CG PRO A 135 13.504 -8.856 -5.757 1.00 0.00 C ATOM 2158 CD PRO A 135 13.471 -7.604 -6.590 1.00 0.00 C ATOM 0 HA PRO A 135 10.795 -7.216 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.300 -9.450 -4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.434 -9.384 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.346 -8.842 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.623 -9.739 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.464 -7.168 -6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.096 -7.799 -7.594 1.00 0.00 H new