USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 50 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.133 X(o=-0.12,f=0.21) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 8 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5!) USER MOD Single : A 10 HIS : no HE2:sc= 0.406 K(o=0.41,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.522 K(o=0.52,f=-0.43) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00529 USER MOD Single : A 24 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.0104 USER MOD Single : A 29 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.8!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.209) USER MOD Single : A 38 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.9) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 92:sc= -3.39 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.1!) USER MOD Single : A 68 SER OG : rot 97:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 0.102 (180deg=0.00606) USER MOD Single : A 74 SER OG : rot 80:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.48) USER MOD Single : A 83 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.2) USER MOD Single : A 88 TYR OH : rot -32:sc= 0.131 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.503 11.240 9.657 1.00 0.00 N ATOM 69 CA HIS A 8 -6.994 10.748 8.382 1.00 0.00 C ATOM 70 C HIS A 8 -8.003 9.814 7.716 1.00 0.00 C ATOM 71 O HIS A 8 -7.914 8.594 7.847 1.00 0.00 O ATOM 72 CB HIS A 8 -5.666 10.017 8.588 1.00 0.00 C ATOM 73 CG HIS A 8 -4.585 10.886 9.151 1.00 0.00 C ATOM 74 ND1 HIS A 8 -3.810 10.542 10.236 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.154 12.112 8.757 1.00 0.00 C ATOM 76 CE1 HIS A 8 -2.951 11.546 10.463 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.118 12.523 9.592 1.00 0.00 N ATOM 0 HA HIS A 8 -6.833 11.605 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.826 9.171 9.257 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.333 9.610 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.552 12.678 7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.218 11.554 11.256 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.596 13.398 9.541 1.00 0.00 H new ATOM 85 N PRO A 9 -8.983 10.381 6.990 1.00 0.00 N ATOM 86 CA PRO A 9 -10.014 9.595 6.303 1.00 0.00 C ATOM 87 C PRO A 9 -9.422 8.488 5.437 1.00 0.00 C ATOM 88 O PRO A 9 -10.026 7.427 5.272 1.00 0.00 O ATOM 89 CB PRO A 9 -10.727 10.631 5.432 1.00 0.00 C ATOM 90 CG PRO A 9 -10.516 11.926 6.136 1.00 0.00 C ATOM 91 CD PRO A 9 -9.162 11.831 6.784 1.00 0.00 C ATOM 0 HA PRO A 9 -10.671 9.083 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.311 10.655 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.788 10.402 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.556 12.761 5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.294 12.096 6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.381 12.246 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.128 12.378 7.726 1.00 0.00 H new ATOM 99 N HIS A 10 -8.240 8.740 4.886 1.00 0.00 N ATOM 100 CA HIS A 10 -7.570 7.762 4.035 1.00 0.00 C ATOM 101 C HIS A 10 -6.845 6.715 4.873 1.00 0.00 C ATOM 102 O HIS A 10 -6.970 5.515 4.627 1.00 0.00 O ATOM 103 CB HIS A 10 -6.578 8.461 3.103 1.00 0.00 C ATOM 104 CG HIS A 10 -7.235 9.247 2.011 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.177 10.619 1.910 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.977 8.825 0.955 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.870 10.981 0.821 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.375 9.929 0.206 1.00 0.00 N ATOM 0 H HIS A 10 -7.726 9.612 5.013 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.330 7.259 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.948 9.128 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.922 7.713 2.657 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.693 11.248 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.220 7.797 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.998 12.001 0.490 1.00 0.00 H new ATOM 116 N ILE A 11 -6.088 7.174 5.864 1.00 0.00 N ATOM 117 CA ILE A 11 -5.344 6.274 6.736 1.00 0.00 C ATOM 118 C ILE A 11 -6.287 5.415 7.571 1.00 0.00 C ATOM 119 O ILE A 11 -5.988 4.260 7.873 1.00 0.00 O ATOM 120 CB ILE A 11 -4.403 7.051 7.677 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.522 8.011 6.875 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.544 6.089 8.485 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.579 8.827 7.732 1.00 0.00 C ATOM 0 H ILE A 11 -5.974 8.164 6.083 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.746 5.630 6.090 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.010 7.634 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.940 7.439 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.160 8.687 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.886 6.655 9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.186 5.442 9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.944 5.481 7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.986 9.485 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.155 9.426 8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.916 8.159 8.281 1.00 0.00 H new ATOM 135 N GLN A 12 -7.431 5.984 7.941 1.00 0.00 N ATOM 136 CA GLN A 12 -8.418 5.267 8.738 1.00 0.00 C ATOM 137 C GLN A 12 -8.953 4.058 7.977 1.00 0.00 C ATOM 138 O GLN A 12 -9.302 3.040 8.575 1.00 0.00 O ATOM 139 CB GLN A 12 -9.570 6.199 9.123 1.00 0.00 C ATOM 140 CG GLN A 12 -9.676 6.448 10.619 1.00 0.00 C ATOM 141 CD GLN A 12 -10.210 5.245 11.374 1.00 0.00 C ATOM 142 OE1 GLN A 12 -9.576 4.753 12.308 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.379 4.765 10.971 1.00 0.00 N ATOM 0 H GLN A 12 -7.696 6.939 7.701 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.931 4.914 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.441 7.153 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.507 5.771 8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.693 6.711 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.329 7.303 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.870 5.205 10.192 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.787 3.956 11.440 1.00 0.00 H new ATOM 152 N LEU A 13 -9.013 4.178 6.655 1.00 0.00 N ATOM 153 CA LEU A 13 -9.504 3.097 5.810 1.00 0.00 C ATOM 154 C LEU A 13 -8.656 1.840 5.987 1.00 0.00 C ATOM 155 O LEU A 13 -9.151 0.722 5.850 1.00 0.00 O ATOM 156 CB LEU A 13 -9.497 3.527 4.341 1.00 0.00 C ATOM 157 CG LEU A 13 -10.617 4.491 3.944 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.448 4.938 2.501 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.977 3.837 4.145 1.00 0.00 C ATOM 0 H LEU A 13 -8.727 5.014 6.146 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.527 2.870 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.539 3.997 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.567 2.636 3.717 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.559 5.371 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.253 5.623 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.489 5.443 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.480 4.068 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.763 4.536 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.045 2.941 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.099 3.565 5.193 1.00 0.00 H new ATOM 171 N LEU A 14 -7.377 2.034 6.292 1.00 0.00 N ATOM 172 CA LEU A 14 -6.460 0.918 6.489 1.00 0.00 C ATOM 173 C LEU A 14 -6.532 0.401 7.922 1.00 0.00 C ATOM 174 O LEU A 14 -6.536 -0.807 8.158 1.00 0.00 O ATOM 175 CB LEU A 14 -5.028 1.344 6.160 1.00 0.00 C ATOM 176 CG LEU A 14 -4.789 1.740 4.702 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.372 2.261 4.517 1.00 0.00 C ATOM 178 CD2 LEU A 14 -5.050 0.558 3.781 1.00 0.00 C ATOM 0 H LEU A 14 -6.952 2.954 6.408 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.757 0.113 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.760 2.186 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.354 0.525 6.413 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.484 2.538 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.219 2.538 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.220 3.135 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.660 1.484 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.875 0.857 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.379 -0.261 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.083 0.230 3.894 1.00 0.00 H new ATOM 190 N LYS A 15 -6.591 1.325 8.876 1.00 0.00 N ATOM 191 CA LYS A 15 -6.663 0.963 10.287 1.00 0.00 C ATOM 192 C LYS A 15 -7.956 0.213 10.591 1.00 0.00 C ATOM 193 O LYS A 15 -7.937 -0.851 11.210 1.00 0.00 O ATOM 194 CB LYS A 15 -6.568 2.215 11.161 1.00 0.00 C ATOM 195 CG LYS A 15 -5.384 3.105 10.822 1.00 0.00 C ATOM 196 CD LYS A 15 -5.729 4.577 10.985 1.00 0.00 C ATOM 197 CE LYS A 15 -4.570 5.358 11.583 1.00 0.00 C ATOM 198 NZ LYS A 15 -4.852 6.819 11.637 1.00 0.00 N ATOM 0 H LYS A 15 -6.590 2.329 8.698 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.822 0.307 10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.487 2.792 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.498 1.914 12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.542 2.854 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.067 2.916 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.992 5.000 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.606 4.678 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.366 4.991 12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.671 5.184 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.037 7.315 12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.022 7.176 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.694 6.989 12.223 1.00 0.00 H new ATOM 212 N SER A 16 -9.077 0.774 10.150 1.00 0.00 N ATOM 213 CA SER A 16 -10.379 0.158 10.376 1.00 0.00 C ATOM 214 C SER A 16 -10.519 -1.130 9.568 1.00 0.00 C ATOM 215 O SER A 16 -11.137 -2.094 10.020 1.00 0.00 O ATOM 216 CB SER A 16 -11.499 1.134 10.004 1.00 0.00 C ATOM 217 OG SER A 16 -12.118 1.666 11.162 1.00 0.00 O ATOM 0 H SER A 16 -9.110 1.653 9.634 1.00 0.00 H new ATOM 0 HA SER A 16 -10.459 -0.089 11.435 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.093 1.945 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.243 0.623 9.393 1.00 0.00 H new ATOM 0 HG SER A 16 -12.828 2.287 10.897 1.00 0.00 H new ATOM 223 N ASN A 17 -9.941 -1.138 8.371 1.00 0.00 N ATOM 224 CA ASN A 17 -10.001 -2.306 7.501 1.00 0.00 C ATOM 225 C ASN A 17 -8.603 -2.860 7.239 1.00 0.00 C ATOM 226 O ASN A 17 -8.171 -2.971 6.091 1.00 0.00 O ATOM 227 CB ASN A 17 -10.679 -1.946 6.177 1.00 0.00 C ATOM 228 CG ASN A 17 -11.967 -1.173 6.378 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.040 -1.758 6.527 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.867 0.151 6.385 1.00 0.00 N ATOM 0 H ASN A 17 -9.426 -0.348 7.982 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.588 -3.075 8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.994 -1.354 5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.890 -2.859 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.700 0.725 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.957 0.594 6.258 1.00 0.00 H new ATOM 237 N ARG A 18 -7.900 -3.209 8.312 1.00 0.00 N ATOM 238 CA ARG A 18 -6.552 -3.751 8.200 1.00 0.00 C ATOM 239 C ARG A 18 -6.589 -5.263 7.995 1.00 0.00 C ATOM 240 O ARG A 18 -5.853 -5.805 7.171 1.00 0.00 O ATOM 241 CB ARG A 18 -5.739 -3.415 9.452 1.00 0.00 C ATOM 242 CG ARG A 18 -4.236 -3.449 9.229 1.00 0.00 C ATOM 243 CD ARG A 18 -3.486 -3.724 10.521 1.00 0.00 C ATOM 244 NE ARG A 18 -3.097 -2.491 11.203 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.884 -1.825 12.047 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.105 -2.270 12.321 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.448 -0.712 12.619 1.00 0.00 N ATOM 0 H ARG A 18 -8.243 -3.126 9.269 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.075 -3.296 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.023 -2.423 9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.997 -4.120 10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.994 -4.218 8.496 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.908 -2.497 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.112 -4.322 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.596 -4.315 10.304 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.165 -2.117 11.022 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.446 -3.127 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.702 -1.755 12.968 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.511 -0.366 12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.050 -0.201 13.265 1.00 0.00 H new ATOM 261 N GLU A 19 -7.450 -5.936 8.751 1.00 0.00 N ATOM 262 CA GLU A 19 -7.582 -7.386 8.652 1.00 0.00 C ATOM 263 C GLU A 19 -8.325 -7.780 7.379 1.00 0.00 C ATOM 264 O GLU A 19 -8.075 -8.841 6.807 1.00 0.00 O ATOM 265 CB GLU A 19 -8.316 -7.934 9.877 1.00 0.00 C ATOM 266 CG GLU A 19 -7.385 -8.434 10.969 1.00 0.00 C ATOM 267 CD GLU A 19 -6.791 -9.793 10.652 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.478 -10.810 10.882 1.00 0.00 O ATOM 269 OE2 GLU A 19 -5.639 -9.839 10.173 1.00 0.00 O ATOM 0 H GLU A 19 -8.066 -5.502 9.438 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.581 -7.817 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.956 -7.153 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.968 -8.750 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.579 -7.714 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.932 -8.491 11.910 1.00 0.00 H new ATOM 276 N LEU A 20 -9.239 -6.920 6.941 1.00 0.00 N ATOM 277 CA LEU A 20 -10.018 -7.180 5.737 1.00 0.00 C ATOM 278 C LEU A 20 -9.143 -7.086 4.492 1.00 0.00 C ATOM 279 O LEU A 20 -9.279 -7.882 3.563 1.00 0.00 O ATOM 280 CB LEU A 20 -11.182 -6.192 5.634 1.00 0.00 C ATOM 281 CG LEU A 20 -12.224 -6.527 4.565 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.019 -7.761 4.964 1.00 0.00 C ATOM 283 CD2 LEU A 20 -13.152 -5.343 4.338 1.00 0.00 C ATOM 0 H LEU A 20 -9.458 -6.037 7.402 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.416 -8.193 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.681 -6.140 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.779 -5.200 5.429 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.704 -6.741 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.755 -7.985 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.343 -8.609 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.529 -7.575 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.887 -5.598 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.665 -5.099 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.570 -4.483 4.008 1.00 0.00 H new ATOM 295 N LEU A 21 -8.246 -6.106 4.478 1.00 0.00 N ATOM 296 CA LEU A 21 -7.348 -5.907 3.346 1.00 0.00 C ATOM 297 C LEU A 21 -6.411 -7.099 3.179 1.00 0.00 C ATOM 298 O LEU A 21 -6.027 -7.448 2.062 1.00 0.00 O ATOM 299 CB LEU A 21 -6.535 -4.624 3.532 1.00 0.00 C ATOM 300 CG LEU A 21 -7.188 -3.358 2.976 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.376 -2.129 3.353 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.338 -3.457 1.465 1.00 0.00 C ATOM 0 H LEU A 21 -8.121 -5.437 5.238 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.954 -5.816 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.349 -4.481 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.564 -4.754 3.053 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.181 -3.261 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.856 -1.238 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.319 -2.050 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.370 -2.217 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.804 -2.548 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.355 -3.578 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.962 -4.316 1.217 1.00 0.00 H new ATOM 314 N VAL A 22 -6.044 -7.718 4.296 1.00 0.00 N ATOM 315 CA VAL A 22 -5.151 -8.871 4.272 1.00 0.00 C ATOM 316 C VAL A 22 -5.797 -10.051 3.552 1.00 0.00 C ATOM 317 O VAL A 22 -5.110 -10.864 2.933 1.00 0.00 O ATOM 318 CB VAL A 22 -4.757 -9.307 5.697 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.702 -10.402 5.650 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.262 -8.115 6.504 1.00 0.00 C ATOM 0 H VAL A 22 -6.351 -7.441 5.229 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.254 -8.566 3.733 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.642 -9.709 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.437 -10.696 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.097 -11.265 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.815 -10.031 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.989 -8.443 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.391 -7.681 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.052 -7.367 6.570 1.00 0.00 H new ATOM 330 N THR A 23 -7.120 -10.138 3.637 1.00 0.00 N ATOM 331 CA THR A 23 -7.859 -11.218 2.995 1.00 0.00 C ATOM 332 C THR A 23 -8.140 -10.890 1.532 1.00 0.00 C ATOM 333 O THR A 23 -8.208 -11.783 0.686 1.00 0.00 O ATOM 334 CB THR A 23 -9.173 -11.475 3.732 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.062 -11.109 5.097 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.617 -12.921 3.680 1.00 0.00 C ATOM 0 H THR A 23 -7.703 -9.473 4.145 1.00 0.00 H new ATOM 0 HA THR A 23 -7.246 -12.118 3.037 1.00 0.00 H new ATOM 0 HB THR A 23 -9.916 -10.865 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.913 -11.279 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.556 -13.033 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.760 -13.221 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.856 -13.552 4.138 1.00 0.00 H new ATOM 344 N HIS A 24 -8.303 -9.604 1.239 1.00 0.00 N ATOM 345 CA HIS A 24 -8.577 -9.158 -0.122 1.00 0.00 C ATOM 346 C HIS A 24 -7.311 -9.192 -0.972 1.00 0.00 C ATOM 347 O HIS A 24 -7.327 -9.666 -2.108 1.00 0.00 O ATOM 348 CB HIS A 24 -9.159 -7.743 -0.110 1.00 0.00 C ATOM 349 CG HIS A 24 -10.532 -7.666 0.483 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.368 -8.751 0.627 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.213 -6.600 0.976 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.506 -8.321 1.190 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.463 -7.022 1.421 1.00 0.00 N ATOM 0 H HIS A 24 -8.250 -8.852 1.926 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.306 -9.840 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.492 -7.089 0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.191 -7.363 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.158 -9.711 0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.844 -5.586 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.348 -8.955 1.424 1.00 0.00 H new ATOM 361 N ILE A 25 -6.217 -8.684 -0.415 1.00 0.00 N ATOM 362 CA ILE A 25 -4.942 -8.656 -1.122 1.00 0.00 C ATOM 363 C ILE A 25 -4.302 -10.040 -1.158 1.00 0.00 C ATOM 364 O ILE A 25 -4.282 -10.751 -0.154 1.00 0.00 O ATOM 365 CB ILE A 25 -3.958 -7.665 -0.471 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.633 -6.308 -0.256 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.712 -7.513 -1.329 1.00 0.00 C ATOM 368 CD1 ILE A 25 -3.931 -5.440 0.764 1.00 0.00 C ATOM 0 H ILE A 25 -6.188 -8.286 0.524 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.154 -8.329 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.659 -8.059 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.674 -5.777 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.663 -6.470 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.027 -6.810 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.222 -8.481 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.992 -7.139 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.464 -4.494 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.913 -5.951 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.909 -5.248 0.437 1.00 0.00 H new ATOM 380 N ARG A 26 -3.780 -10.415 -2.321 1.00 0.00 N ATOM 381 CA ARG A 26 -3.138 -11.714 -2.487 1.00 0.00 C ATOM 382 C ARG A 26 -1.646 -11.550 -2.761 1.00 0.00 C ATOM 383 O ARG A 26 -0.825 -12.312 -2.252 1.00 0.00 O ATOM 384 CB ARG A 26 -3.799 -12.489 -3.631 1.00 0.00 C ATOM 385 CG ARG A 26 -4.552 -13.729 -3.169 1.00 0.00 C ATOM 386 CD ARG A 26 -4.091 -14.975 -3.908 1.00 0.00 C ATOM 387 NE ARG A 26 -3.321 -15.869 -3.046 1.00 0.00 N ATOM 388 CZ ARG A 26 -3.867 -16.706 -2.167 1.00 0.00 C ATOM 389 NH1 ARG A 26 -5.187 -16.768 -2.031 1.00 0.00 N ATOM 390 NH2 ARG A 26 -3.094 -17.484 -1.423 1.00 0.00 N ATOM 0 H ARG A 26 -3.789 -9.838 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.259 -12.275 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.490 -11.829 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.034 -12.785 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.405 -13.866 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.621 -13.586 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.959 -15.507 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.483 -14.684 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.304 -15.850 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.787 -16.172 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.600 -17.411 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.080 -17.442 -1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.513 -18.125 -0.750 1.00 0.00 H new ATOM 404 N ASN A 27 -1.303 -10.551 -3.567 1.00 0.00 N ATOM 405 CA ASN A 27 0.090 -10.285 -3.908 1.00 0.00 C ATOM 406 C ASN A 27 0.559 -8.972 -3.290 1.00 0.00 C ATOM 407 O ASN A 27 -0.135 -7.959 -3.358 1.00 0.00 O ATOM 408 CB ASN A 27 0.265 -10.239 -5.426 1.00 0.00 C ATOM 409 CG ASN A 27 0.584 -11.600 -6.014 1.00 0.00 C ATOM 410 OD1 ASN A 27 0.026 -12.615 -5.598 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.488 -11.627 -6.986 1.00 0.00 N ATOM 0 H ASN A 27 -1.971 -9.911 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 27 0.699 -11.094 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.647 -9.854 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.065 -9.542 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.745 -12.514 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.926 -10.761 -7.300 1.00 0.00 H new ATOM 418 N THR A 28 1.744 -8.997 -2.689 1.00 0.00 N ATOM 419 CA THR A 28 2.308 -7.809 -2.059 1.00 0.00 C ATOM 420 C THR A 28 3.456 -7.245 -2.890 1.00 0.00 C ATOM 421 O THR A 28 3.722 -6.042 -2.862 1.00 0.00 O ATOM 422 CB THR A 28 2.798 -8.136 -0.648 1.00 0.00 C ATOM 423 OG1 THR A 28 3.401 -9.417 -0.611 1.00 0.00 O ATOM 424 CG2 THR A 28 1.693 -8.119 0.387 1.00 0.00 C ATOM 0 H THR A 28 2.333 -9.828 -2.625 1.00 0.00 H new ATOM 0 HA THR A 28 1.523 -7.055 -1.997 1.00 0.00 H new ATOM 0 HB THR A 28 3.517 -7.354 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.565 -9.675 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.108 -8.359 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.239 -7.129 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.936 -8.857 0.123 1.00 0.00 H new ATOM 432 N GLN A 29 4.134 -8.119 -3.628 1.00 0.00 N ATOM 433 CA GLN A 29 5.254 -7.706 -4.467 1.00 0.00 C ATOM 434 C GLN A 29 4.823 -6.636 -5.466 1.00 0.00 C ATOM 435 O GLN A 29 5.616 -5.777 -5.852 1.00 0.00 O ATOM 436 CB GLN A 29 5.834 -8.914 -5.208 1.00 0.00 C ATOM 437 CG GLN A 29 7.250 -9.266 -4.782 1.00 0.00 C ATOM 438 CD GLN A 29 8.291 -8.376 -5.430 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.972 -7.547 -6.283 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.546 -8.541 -5.028 1.00 0.00 N ATOM 0 H GLN A 29 3.927 -9.117 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 29 6.023 -7.281 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.188 -9.776 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.825 -8.711 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.331 -9.184 -3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.455 -10.305 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.767 -9.240 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.289 -7.969 -5.429 1.00 0.00 H new ATOM 449 N CYS A 30 3.562 -6.695 -5.882 1.00 0.00 N ATOM 450 CA CYS A 30 3.026 -5.731 -6.837 1.00 0.00 C ATOM 451 C CYS A 30 3.003 -4.329 -6.239 1.00 0.00 C ATOM 452 O CYS A 30 3.484 -3.374 -6.850 1.00 0.00 O ATOM 453 CB CYS A 30 1.616 -6.138 -7.267 1.00 0.00 C ATOM 454 SG CYS A 30 1.043 -5.329 -8.778 1.00 0.00 S ATOM 0 H CYS A 30 2.892 -7.400 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 30 3.677 -5.723 -7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.590 -7.218 -7.413 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.921 -5.909 -6.459 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.158 -5.739 -9.061 1.00 0.00 H new ATOM 460 N LEU A 31 2.440 -4.210 -5.040 1.00 0.00 N ATOM 461 CA LEU A 31 2.354 -2.924 -4.359 1.00 0.00 C ATOM 462 C LEU A 31 3.744 -2.360 -4.082 1.00 0.00 C ATOM 463 O LEU A 31 4.002 -1.178 -4.310 1.00 0.00 O ATOM 464 CB LEU A 31 1.579 -3.068 -3.048 1.00 0.00 C ATOM 465 CG LEU A 31 0.072 -3.270 -3.206 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.471 -4.143 -2.085 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.644 -1.927 -3.230 1.00 0.00 C ATOM 0 H LEU A 31 2.037 -4.990 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 31 1.824 -2.231 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.987 -3.913 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.749 -2.177 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.110 -3.776 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.545 -4.275 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.020 -5.116 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.278 -3.664 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.716 -2.088 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.453 -1.396 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.276 -1.333 -4.067 1.00 0.00 H new ATOM 479 N VAL A 32 4.636 -3.212 -3.589 1.00 0.00 N ATOM 480 CA VAL A 32 5.999 -2.799 -3.280 1.00 0.00 C ATOM 481 C VAL A 32 6.729 -2.331 -4.534 1.00 0.00 C ATOM 482 O VAL A 32 7.463 -1.344 -4.506 1.00 0.00 O ATOM 483 CB VAL A 32 6.802 -3.942 -2.629 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.165 -3.448 -2.170 1.00 0.00 C ATOM 485 CG2 VAL A 32 6.027 -4.547 -1.467 1.00 0.00 C ATOM 0 H VAL A 32 4.439 -4.194 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 32 5.925 -1.971 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 32 6.958 -4.720 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.715 -4.271 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.722 -3.070 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.036 -2.649 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.610 -5.352 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.836 -3.779 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.079 -4.944 -1.829 1.00 0.00 H new ATOM 495 N ASP A 33 6.522 -3.047 -5.636 1.00 0.00 N ATOM 496 CA ASP A 33 7.160 -2.704 -6.901 1.00 0.00 C ATOM 497 C ASP A 33 6.759 -1.303 -7.352 1.00 0.00 C ATOM 498 O ASP A 33 7.610 -0.486 -7.702 1.00 0.00 O ATOM 499 CB ASP A 33 6.787 -3.729 -7.976 1.00 0.00 C ATOM 500 CG ASP A 33 7.952 -4.623 -8.351 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.076 -4.100 -8.508 1.00 0.00 O ATOM 502 OD2 ASP A 33 7.742 -5.846 -8.489 1.00 0.00 O ATOM 0 H ASP A 33 5.918 -3.868 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 33 8.240 -2.720 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.962 -4.344 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.433 -3.207 -8.865 1.00 0.00 H new ATOM 507 N ASN A 34 5.458 -1.033 -7.341 1.00 0.00 N ATOM 508 CA ASN A 34 4.944 0.270 -7.749 1.00 0.00 C ATOM 509 C ASN A 34 5.352 1.352 -6.754 1.00 0.00 C ATOM 510 O ASN A 34 5.701 2.467 -7.143 1.00 0.00 O ATOM 511 CB ASN A 34 3.421 0.224 -7.875 1.00 0.00 C ATOM 512 CG ASN A 34 2.966 -0.458 -9.150 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.135 0.075 -10.247 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.384 -1.643 -9.013 1.00 0.00 N ATOM 0 H ASN A 34 4.740 -1.699 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 34 5.374 0.515 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.004 -0.302 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.026 1.240 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.057 -2.149 -9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.264 -2.048 -8.085 1.00 0.00 H new ATOM 521 N LEU A 35 5.305 1.016 -5.469 1.00 0.00 N ATOM 522 CA LEU A 35 5.669 1.960 -4.418 1.00 0.00 C ATOM 523 C LEU A 35 7.152 2.310 -4.491 1.00 0.00 C ATOM 524 O LEU A 35 7.555 3.421 -4.144 1.00 0.00 O ATOM 525 CB LEU A 35 5.338 1.377 -3.043 1.00 0.00 C ATOM 526 CG LEU A 35 3.895 1.585 -2.582 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.591 0.716 -1.371 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.645 3.051 -2.264 1.00 0.00 C ATOM 0 H LEU A 35 5.019 0.098 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 35 5.091 2.872 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.548 0.307 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.006 1.822 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 35 3.228 1.290 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.560 0.877 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.731 -0.333 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.264 0.980 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.613 3.182 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.320 3.371 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.822 3.652 -3.156 1.00 0.00 H new ATOM 540 N LEU A 36 7.959 1.357 -4.945 1.00 0.00 N ATOM 541 CA LEU A 36 9.399 1.566 -5.062 1.00 0.00 C ATOM 542 C LEU A 36 9.726 2.417 -6.285 1.00 0.00 C ATOM 543 O LEU A 36 10.621 3.261 -6.244 1.00 0.00 O ATOM 544 CB LEU A 36 10.125 0.222 -5.152 1.00 0.00 C ATOM 545 CG LEU A 36 10.236 -0.543 -3.832 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.730 -1.960 -4.077 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.160 0.187 -2.869 1.00 0.00 C ATOM 0 H LEU A 36 7.642 0.433 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 36 9.739 2.095 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.606 -0.406 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.129 0.394 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 36 9.245 -0.598 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.803 -2.489 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.030 -2.481 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.712 -1.926 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.227 -0.371 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.152 0.274 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.764 1.182 -2.669 1.00 0.00 H new ATOM 559 N LYS A 37 8.995 2.189 -7.371 1.00 0.00 N ATOM 560 CA LYS A 37 9.209 2.934 -8.606 1.00 0.00 C ATOM 561 C LYS A 37 8.866 4.409 -8.417 1.00 0.00 C ATOM 562 O LYS A 37 9.516 5.285 -8.988 1.00 0.00 O ATOM 563 CB LYS A 37 8.365 2.344 -9.737 1.00 0.00 C ATOM 564 CG LYS A 37 8.707 2.902 -11.108 1.00 0.00 C ATOM 565 CD LYS A 37 8.441 1.885 -12.206 1.00 0.00 C ATOM 566 CE LYS A 37 7.011 1.973 -12.711 1.00 0.00 C ATOM 567 NZ LYS A 37 6.063 1.239 -11.826 1.00 0.00 N ATOM 0 H LYS A 37 8.250 1.495 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 37 10.263 2.854 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.498 1.262 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.312 2.533 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.119 3.801 -11.293 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.756 3.197 -11.130 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.131 2.052 -13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.633 0.881 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.712 3.019 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.956 1.564 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.171 1.074 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.480 0.326 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.876 1.804 -10.973 1.00 0.00 H new ATOM 581 N ASN A 38 7.842 4.675 -7.613 1.00 0.00 N ATOM 582 CA ASN A 38 7.413 6.044 -7.349 1.00 0.00 C ATOM 583 C ASN A 38 8.263 6.695 -6.259 1.00 0.00 C ATOM 584 O ASN A 38 8.044 7.852 -5.901 1.00 0.00 O ATOM 585 CB ASN A 38 5.938 6.067 -6.944 1.00 0.00 C ATOM 586 CG ASN A 38 5.008 5.982 -8.138 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.316 6.945 -8.470 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.989 4.828 -8.792 1.00 0.00 N ATOM 0 H ASN A 38 7.294 3.961 -7.133 1.00 0.00 H new ATOM 0 HA ASN A 38 7.544 6.617 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.736 5.234 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.731 6.983 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.384 4.713 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.579 4.056 -8.482 1.00 0.00 H new ATOM 595 N ASP A 39 9.233 5.950 -5.731 1.00 0.00 N ATOM 596 CA ASP A 39 10.107 6.464 -4.682 1.00 0.00 C ATOM 597 C ASP A 39 9.313 6.778 -3.418 1.00 0.00 C ATOM 598 O ASP A 39 9.392 7.884 -2.879 1.00 0.00 O ATOM 599 CB ASP A 39 10.839 7.718 -5.168 1.00 0.00 C ATOM 600 CG ASP A 39 12.274 7.775 -4.681 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.594 7.079 -3.693 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.078 8.514 -5.285 1.00 0.00 O ATOM 0 H ASP A 39 9.432 4.990 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 39 10.841 5.694 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.827 7.743 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.306 8.604 -4.823 1.00 0.00 H new ATOM 607 N TYR A 40 8.548 5.798 -2.946 1.00 0.00 N ATOM 608 CA TYR A 40 7.741 5.969 -1.744 1.00 0.00 C ATOM 609 C TYR A 40 8.190 5.009 -0.648 1.00 0.00 C ATOM 610 O TYR A 40 8.267 5.381 0.523 1.00 0.00 O ATOM 611 CB TYR A 40 6.262 5.741 -2.062 1.00 0.00 C ATOM 612 CG TYR A 40 5.526 7.002 -2.460 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.220 7.976 -1.518 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.139 7.217 -3.776 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.548 9.128 -1.877 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.467 8.367 -4.144 1.00 0.00 C ATOM 617 CZ TYR A 40 4.173 9.320 -3.191 1.00 0.00 C ATOM 618 OH TYR A 40 3.505 10.466 -3.552 1.00 0.00 O ATOM 0 H TYR A 40 8.471 4.877 -3.378 1.00 0.00 H new ATOM 0 HA TYR A 40 7.876 6.990 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.181 5.013 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.774 5.306 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.512 7.830 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.367 6.473 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.317 9.875 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.174 8.519 -5.172 1.00 0.00 H new ATOM 0 HH TYR A 40 3.315 10.445 -4.513 1.00 0.00 H new ATOM 628 N PHE A 41 8.485 3.773 -1.035 1.00 0.00 N ATOM 629 CA PHE A 41 8.926 2.758 -0.085 1.00 0.00 C ATOM 630 C PHE A 41 10.447 2.640 -0.083 1.00 0.00 C ATOM 631 O PHE A 41 11.071 2.516 -1.137 1.00 0.00 O ATOM 632 CB PHE A 41 8.294 1.406 -0.421 1.00 0.00 C ATOM 633 CG PHE A 41 7.253 0.966 0.569 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.137 1.749 0.813 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.393 -0.229 1.256 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.177 1.348 1.723 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.437 -0.635 2.168 1.00 0.00 C ATOM 638 CZ PHE A 41 5.328 0.154 2.402 1.00 0.00 C ATOM 0 H PHE A 41 8.427 3.449 -2.001 1.00 0.00 H new ATOM 0 HA PHE A 41 8.604 3.062 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.841 1.462 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.078 0.650 -0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.015 2.684 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.258 -0.850 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.310 1.967 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.557 -1.569 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.580 -0.162 3.114 1.00 0.00 H new ATOM 648 N SER A 42 11.037 2.678 1.107 1.00 0.00 N ATOM 649 CA SER A 42 12.485 2.575 1.246 1.00 0.00 C ATOM 650 C SER A 42 12.926 1.115 1.276 1.00 0.00 C ATOM 651 O SER A 42 12.105 0.213 1.441 1.00 0.00 O ATOM 652 CB SER A 42 12.950 3.287 2.517 1.00 0.00 C ATOM 653 OG SER A 42 12.324 4.552 2.651 1.00 0.00 O ATOM 0 H SER A 42 10.535 2.779 1.989 1.00 0.00 H new ATOM 0 HA SER A 42 12.942 3.057 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.722 2.671 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.032 3.414 2.491 1.00 0.00 H new ATOM 0 HG SER A 42 12.637 4.986 3.472 1.00 0.00 H new ATOM 659 N ALA A 43 14.226 0.891 1.117 1.00 0.00 N ATOM 660 CA ALA A 43 14.774 -0.460 1.127 1.00 0.00 C ATOM 661 C ALA A 43 14.488 -1.158 2.452 1.00 0.00 C ATOM 662 O ALA A 43 14.321 -2.378 2.498 1.00 0.00 O ATOM 663 CB ALA A 43 16.271 -0.422 0.861 1.00 0.00 C ATOM 0 H ALA A 43 14.919 1.627 0.980 1.00 0.00 H new ATOM 0 HA ALA A 43 14.289 -1.030 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.668 -1.437 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.456 0.030 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.763 0.168 1.634 1.00 0.00 H new ATOM 669 N GLU A 44 14.432 -0.379 3.527 1.00 0.00 N ATOM 670 CA GLU A 44 14.164 -0.924 4.852 1.00 0.00 C ATOM 671 C GLU A 44 12.726 -1.421 4.956 1.00 0.00 C ATOM 672 O GLU A 44 12.464 -2.482 5.523 1.00 0.00 O ATOM 673 CB GLU A 44 14.434 0.135 5.925 1.00 0.00 C ATOM 674 CG GLU A 44 15.710 -0.108 6.713 1.00 0.00 C ATOM 675 CD GLU A 44 15.530 0.124 8.201 1.00 0.00 C ATOM 676 OE1 GLU A 44 14.410 -0.100 8.705 1.00 0.00 O ATOM 677 OE2 GLU A 44 16.509 0.529 8.861 1.00 0.00 O ATOM 0 H GLU A 44 14.569 0.632 3.506 1.00 0.00 H new ATOM 0 HA GLU A 44 14.831 -1.771 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.491 1.115 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.591 0.164 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.046 -1.132 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.495 0.550 6.339 1.00 0.00 H new ATOM 684 N ASP A 45 11.797 -0.647 4.406 1.00 0.00 N ATOM 685 CA ASP A 45 10.384 -1.007 4.437 1.00 0.00 C ATOM 686 C ASP A 45 10.148 -2.346 3.747 1.00 0.00 C ATOM 687 O ASP A 45 9.516 -3.242 4.308 1.00 0.00 O ATOM 688 CB ASP A 45 9.544 0.081 3.764 1.00 0.00 C ATOM 689 CG ASP A 45 9.428 1.330 4.614 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.461 2.003 4.825 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.307 1.638 5.069 1.00 0.00 O ATOM 0 H ASP A 45 11.997 0.234 3.933 1.00 0.00 H new ATOM 0 HA ASP A 45 10.081 -1.098 5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.990 0.339 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.547 -0.309 3.558 1.00 0.00 H new ATOM 696 N ALA A 46 10.660 -2.478 2.528 1.00 0.00 N ATOM 697 CA ALA A 46 10.504 -3.708 1.762 1.00 0.00 C ATOM 698 C ALA A 46 11.199 -4.878 2.451 1.00 0.00 C ATOM 699 O ALA A 46 10.775 -6.027 2.323 1.00 0.00 O ATOM 700 CB ALA A 46 11.049 -3.525 0.353 1.00 0.00 C ATOM 0 H ALA A 46 11.187 -1.747 2.049 1.00 0.00 H new ATOM 0 HA ALA A 46 9.440 -3.936 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.926 -4.451 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.505 -2.723 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.107 -3.269 0.403 1.00 0.00 H new ATOM 706 N GLU A 47 12.269 -4.578 3.181 1.00 0.00 N ATOM 707 CA GLU A 47 13.023 -5.606 3.890 1.00 0.00 C ATOM 708 C GLU A 47 12.197 -6.204 5.026 1.00 0.00 C ATOM 709 O GLU A 47 12.232 -7.412 5.263 1.00 0.00 O ATOM 710 CB GLU A 47 14.326 -5.023 4.441 1.00 0.00 C ATOM 711 CG GLU A 47 15.517 -5.956 4.300 1.00 0.00 C ATOM 712 CD GLU A 47 16.728 -5.476 5.076 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.813 -5.772 6.286 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.591 -4.804 4.473 1.00 0.00 O ATOM 0 H GLU A 47 12.633 -3.632 3.297 1.00 0.00 H new ATOM 0 HA GLU A 47 13.259 -6.401 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.544 -4.089 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.189 -4.779 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.238 -6.951 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.779 -6.049 3.246 1.00 0.00 H new ATOM 721 N ILE A 48 11.457 -5.351 5.725 1.00 0.00 N ATOM 722 CA ILE A 48 10.624 -5.795 6.837 1.00 0.00 C ATOM 723 C ILE A 48 9.449 -6.632 6.342 1.00 0.00 C ATOM 724 O ILE A 48 9.062 -7.614 6.977 1.00 0.00 O ATOM 725 CB ILE A 48 10.086 -4.601 7.650 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.233 -3.672 8.055 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.335 -5.089 8.879 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.825 -2.220 8.163 1.00 0.00 C ATOM 0 H ILE A 48 11.417 -4.348 5.542 1.00 0.00 H new ATOM 0 HA ILE A 48 11.256 -6.406 7.482 1.00 0.00 H new ATOM 0 HB ILE A 48 9.392 -4.040 7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.635 -4.000 9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.037 -3.762 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.962 -4.233 9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.497 -5.713 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.007 -5.672 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.688 -1.620 8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.451 -1.875 7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.042 -2.117 8.914 1.00 0.00 H new ATOM 740 N VAL A 49 8.883 -6.238 5.206 1.00 0.00 N ATOM 741 CA VAL A 49 7.752 -6.954 4.628 1.00 0.00 C ATOM 742 C VAL A 49 8.114 -8.405 4.329 1.00 0.00 C ATOM 743 O VAL A 49 7.442 -9.329 4.786 1.00 0.00 O ATOM 744 CB VAL A 49 7.263 -6.281 3.331 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.967 -6.918 2.855 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.087 -4.783 3.540 1.00 0.00 C ATOM 0 H VAL A 49 9.189 -5.427 4.668 1.00 0.00 H new ATOM 0 HA VAL A 49 6.951 -6.927 5.367 1.00 0.00 H new ATOM 0 HB VAL A 49 8.018 -6.430 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.637 -6.430 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.132 -7.978 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.202 -6.803 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.741 -4.325 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.353 -4.609 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.041 -4.341 3.829 1.00 0.00 H new ATOM 756 N CYS A 50 9.179 -8.597 3.559 1.00 0.00 N ATOM 757 CA CYS A 50 9.631 -9.936 3.199 1.00 0.00 C ATOM 758 C CYS A 50 9.980 -10.747 4.445 1.00 0.00 C ATOM 759 O CYS A 50 9.871 -11.973 4.448 1.00 0.00 O ATOM 760 CB CYS A 50 10.844 -9.854 2.268 1.00 0.00 C ATOM 761 SG CYS A 50 10.542 -10.494 0.605 1.00 0.00 S ATOM 0 H CYS A 50 9.746 -7.842 3.172 1.00 0.00 H new ATOM 0 HA CYS A 50 8.817 -10.441 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.162 -8.814 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.670 -10.408 2.715 1.00 0.00 H new ATOM 0 HG CYS A 50 11.624 -10.380 -0.107 1.00 0.00 H new ATOM 767 N ALA A 51 10.399 -10.054 5.499 1.00 0.00 N ATOM 768 CA ALA A 51 10.763 -10.709 6.750 1.00 0.00 C ATOM 769 C ALA A 51 9.608 -11.548 7.293 1.00 0.00 C ATOM 770 O ALA A 51 9.821 -12.490 8.056 1.00 0.00 O ATOM 771 CB ALA A 51 11.195 -9.675 7.779 1.00 0.00 C ATOM 0 H ALA A 51 10.495 -9.039 5.511 1.00 0.00 H new ATOM 0 HA ALA A 51 11.598 -11.380 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.464 -10.177 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.056 -9.124 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.374 -8.982 7.965 1.00 0.00 H new ATOM 777 N CYS A 52 8.387 -11.199 6.897 1.00 0.00 N ATOM 778 CA CYS A 52 7.201 -11.922 7.346 1.00 0.00 C ATOM 779 C CYS A 52 7.313 -13.411 7.027 1.00 0.00 C ATOM 780 O CYS A 52 7.956 -13.799 6.051 1.00 0.00 O ATOM 781 CB CYS A 52 5.947 -11.341 6.691 1.00 0.00 C ATOM 782 SG CYS A 52 5.430 -9.748 7.372 1.00 0.00 S ATOM 0 H CYS A 52 8.193 -10.421 6.267 1.00 0.00 H new ATOM 0 HA CYS A 52 7.126 -11.808 8.427 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.128 -11.226 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.129 -12.054 6.800 1.00 0.00 H new ATOM 0 HG CYS A 52 5.973 -8.786 6.686 1.00 0.00 H new ATOM 788 N PRO A 53 6.688 -14.268 7.852 1.00 0.00 N ATOM 789 CA PRO A 53 6.721 -15.719 7.656 1.00 0.00 C ATOM 790 C PRO A 53 5.790 -16.177 6.538 1.00 0.00 C ATOM 791 O PRO A 53 6.103 -17.110 5.800 1.00 0.00 O ATOM 792 CB PRO A 53 6.245 -16.260 9.003 1.00 0.00 C ATOM 793 CG PRO A 53 5.344 -15.200 9.536 1.00 0.00 C ATOM 794 CD PRO A 53 5.900 -13.889 9.042 1.00 0.00 C ATOM 0 HA PRO A 53 7.709 -16.071 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.718 -17.207 8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.083 -16.443 9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.322 -15.346 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.315 -15.225 10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.105 -13.187 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.522 -13.408 9.797 1.00 0.00 H new ATOM 802 N THR A 54 4.643 -15.516 6.423 1.00 0.00 N ATOM 803 CA THR A 54 3.665 -15.858 5.395 1.00 0.00 C ATOM 804 C THR A 54 3.212 -14.615 4.636 1.00 0.00 C ATOM 805 O THR A 54 3.698 -13.512 4.884 1.00 0.00 O ATOM 806 CB THR A 54 2.458 -16.554 6.026 1.00 0.00 C ATOM 807 OG1 THR A 54 1.889 -15.748 7.042 1.00 0.00 O ATOM 808 CG2 THR A 54 2.793 -17.896 6.636 1.00 0.00 C ATOM 0 H THR A 54 4.368 -14.742 7.027 1.00 0.00 H new ATOM 0 HA THR A 54 4.140 -16.537 4.687 1.00 0.00 H new ATOM 0 HB THR A 54 1.755 -16.712 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.118 -16.210 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.893 -18.335 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.187 -18.558 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.541 -17.764 7.418 1.00 0.00 H new ATOM 816 N GLN A 55 2.277 -14.803 3.710 1.00 0.00 N ATOM 817 CA GLN A 55 1.758 -13.698 2.912 1.00 0.00 C ATOM 818 C GLN A 55 0.869 -12.785 3.755 1.00 0.00 C ATOM 819 O GLN A 55 1.079 -11.573 3.802 1.00 0.00 O ATOM 820 CB GLN A 55 0.972 -14.234 1.712 1.00 0.00 C ATOM 821 CG GLN A 55 1.382 -13.609 0.389 1.00 0.00 C ATOM 822 CD GLN A 55 2.499 -14.372 -0.295 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.292 -15.470 -0.811 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.694 -13.793 -0.300 1.00 0.00 N ATOM 0 H GLN A 55 1.863 -15.710 3.494 1.00 0.00 H new ATOM 0 HA GLN A 55 2.605 -13.114 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.108 -15.314 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.091 -14.055 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.517 -13.568 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.701 -12.581 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.821 -12.881 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.485 -14.260 -0.744 1.00 0.00 H new ATOM 833 N PRO A 56 -0.143 -13.357 4.434 1.00 0.00 N ATOM 834 CA PRO A 56 -1.062 -12.586 5.277 1.00 0.00 C ATOM 835 C PRO A 56 -0.330 -11.646 6.227 1.00 0.00 C ATOM 836 O PRO A 56 -0.844 -10.587 6.588 1.00 0.00 O ATOM 837 CB PRO A 56 -1.809 -13.666 6.060 1.00 0.00 C ATOM 838 CG PRO A 56 -1.774 -14.863 5.177 1.00 0.00 C ATOM 839 CD PRO A 56 -0.466 -14.797 4.435 1.00 0.00 C ATOM 0 HA PRO A 56 -1.712 -11.939 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.328 -13.866 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.833 -13.362 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.845 -15.780 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.616 -14.861 4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.308 -15.382 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.559 -15.188 3.422 1.00 0.00 H new ATOM 847 N ASP A 57 0.875 -12.039 6.627 1.00 0.00 N ATOM 848 CA ASP A 57 1.681 -11.230 7.534 1.00 0.00 C ATOM 849 C ASP A 57 2.319 -10.058 6.795 1.00 0.00 C ATOM 850 O ASP A 57 2.525 -8.988 7.366 1.00 0.00 O ATOM 851 CB ASP A 57 2.766 -12.086 8.189 1.00 0.00 C ATOM 852 CG ASP A 57 2.318 -12.673 9.514 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.104 -12.920 9.673 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.180 -12.885 10.391 1.00 0.00 O ATOM 0 H ASP A 57 1.315 -12.913 6.337 1.00 0.00 H new ATOM 0 HA ASP A 57 1.024 -10.835 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.045 -12.894 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.658 -11.479 8.346 1.00 0.00 H new ATOM 859 N LYS A 58 2.627 -10.268 5.519 1.00 0.00 N ATOM 860 CA LYS A 58 3.240 -9.230 4.699 1.00 0.00 C ATOM 861 C LYS A 58 2.259 -8.093 4.439 1.00 0.00 C ATOM 862 O LYS A 58 2.598 -6.919 4.592 1.00 0.00 O ATOM 863 CB LYS A 58 3.722 -9.817 3.371 1.00 0.00 C ATOM 864 CG LYS A 58 4.814 -10.862 3.529 1.00 0.00 C ATOM 865 CD LYS A 58 4.968 -11.702 2.272 1.00 0.00 C ATOM 866 CE LYS A 58 5.946 -11.071 1.292 1.00 0.00 C ATOM 867 NZ LYS A 58 7.071 -11.989 0.963 1.00 0.00 N ATOM 0 H LYS A 58 2.462 -11.148 5.031 1.00 0.00 H new ATOM 0 HA LYS A 58 4.096 -8.831 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.874 -10.265 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.092 -9.009 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.760 -10.370 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.580 -11.509 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.315 -12.700 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.997 -11.821 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.419 -10.800 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.342 -10.149 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.715 -11.522 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.590 -12.228 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.695 -12.859 0.534 1.00 0.00 H new ATOM 881 N VAL A 59 1.040 -8.448 4.047 1.00 0.00 N ATOM 882 CA VAL A 59 0.007 -7.457 3.767 1.00 0.00 C ATOM 883 C VAL A 59 -0.271 -6.593 4.993 1.00 0.00 C ATOM 884 O VAL A 59 -0.649 -5.428 4.870 1.00 0.00 O ATOM 885 CB VAL A 59 -1.305 -8.126 3.314 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.319 -7.078 2.880 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.041 -9.121 2.193 1.00 0.00 C ATOM 0 H VAL A 59 0.743 -9.415 3.916 1.00 0.00 H new ATOM 0 HA VAL A 59 0.382 -6.828 2.960 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.722 -8.672 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.239 -7.570 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.533 -6.411 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.913 -6.500 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.980 -9.582 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.598 -8.602 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.355 -9.892 2.545 1.00 0.00 H new ATOM 897 N ARG A 60 -0.081 -7.172 6.174 1.00 0.00 N ATOM 898 CA ARG A 60 -0.312 -6.455 7.422 1.00 0.00 C ATOM 899 C ARG A 60 0.867 -5.545 7.753 1.00 0.00 C ATOM 900 O ARG A 60 0.698 -4.495 8.375 1.00 0.00 O ATOM 901 CB ARG A 60 -0.546 -7.444 8.567 1.00 0.00 C ATOM 902 CG ARG A 60 -1.678 -7.042 9.498 1.00 0.00 C ATOM 903 CD ARG A 60 -2.490 -8.247 9.947 1.00 0.00 C ATOM 904 NE ARG A 60 -2.563 -8.345 11.403 1.00 0.00 N ATOM 905 CZ ARG A 60 -1.584 -8.829 12.164 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.456 -9.261 11.613 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.734 -8.882 13.481 1.00 0.00 N ATOM 0 H ARG A 60 0.232 -8.135 6.293 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.201 -5.837 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.763 -8.427 8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.372 -7.540 9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.269 -6.533 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.331 -6.331 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.498 -8.178 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.043 -9.156 9.544 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.414 -8.024 11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.336 -9.223 10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.290 -9.631 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.599 -8.552 13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.984 -9.253 14.065 1.00 0.00 H new ATOM 921 N LYS A 61 2.060 -5.953 7.334 1.00 0.00 N ATOM 922 CA LYS A 61 3.268 -5.175 7.587 1.00 0.00 C ATOM 923 C LYS A 61 3.292 -3.911 6.733 1.00 0.00 C ATOM 924 O LYS A 61 3.764 -2.862 7.173 1.00 0.00 O ATOM 925 CB LYS A 61 4.511 -6.020 7.303 1.00 0.00 C ATOM 926 CG LYS A 61 5.819 -5.292 7.572 1.00 0.00 C ATOM 927 CD LYS A 61 5.877 -4.749 8.991 1.00 0.00 C ATOM 928 CE LYS A 61 5.913 -5.870 10.019 1.00 0.00 C ATOM 929 NZ LYS A 61 5.038 -5.580 11.188 1.00 0.00 N ATOM 0 H LYS A 61 2.217 -6.818 6.817 1.00 0.00 H new ATOM 0 HA LYS A 61 3.268 -4.881 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.474 -6.921 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.491 -6.341 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.655 -5.972 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.932 -4.472 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.761 -4.121 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.010 -4.114 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.596 -6.802 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.938 -6.017 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.091 -6.368 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.355 -4.704 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.056 -5.465 10.866 1.00 0.00 H new ATOM 943 N ILE A 62 2.781 -4.017 5.510 1.00 0.00 N ATOM 944 CA ILE A 62 2.746 -2.883 4.596 1.00 0.00 C ATOM 945 C ILE A 62 1.784 -1.808 5.093 1.00 0.00 C ATOM 946 O ILE A 62 2.056 -0.614 4.972 1.00 0.00 O ATOM 947 CB ILE A 62 2.329 -3.317 3.177 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.212 -4.468 2.692 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.408 -2.140 2.215 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.584 -5.287 1.585 1.00 0.00 C ATOM 0 H ILE A 62 2.386 -4.877 5.130 1.00 0.00 H new ATOM 0 HA ILE A 62 3.756 -2.474 4.559 1.00 0.00 H new ATOM 0 HB ILE A 62 1.296 -3.664 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.161 -4.064 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.437 -5.122 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.110 -2.464 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.740 -1.348 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.430 -1.764 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.266 -6.085 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.649 -5.721 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.384 -4.646 0.726 1.00 0.00 H new ATOM 962 N LEU A 63 0.658 -2.240 5.652 1.00 0.00 N ATOM 963 CA LEU A 63 -0.343 -1.312 6.168 1.00 0.00 C ATOM 964 C LEU A 63 0.224 -0.481 7.314 1.00 0.00 C ATOM 965 O LEU A 63 0.024 0.732 7.373 1.00 0.00 O ATOM 966 CB LEU A 63 -1.581 -2.077 6.639 1.00 0.00 C ATOM 967 CG LEU A 63 -2.233 -2.971 5.583 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.906 -4.167 6.237 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.234 -2.176 4.759 1.00 0.00 C ATOM 0 H LEU A 63 0.416 -3.225 5.759 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.627 -0.636 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.304 -2.694 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.321 -1.358 6.991 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.455 -3.341 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.364 -4.791 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.163 -4.749 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.674 -3.819 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.689 -2.827 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.009 -1.777 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.722 -1.353 4.260 1.00 0.00 H new ATOM 981 N ASP A 64 0.932 -1.143 8.223 1.00 0.00 N ATOM 982 CA ASP A 64 1.529 -0.466 9.369 1.00 0.00 C ATOM 983 C ASP A 64 2.590 0.533 8.917 1.00 0.00 C ATOM 984 O ASP A 64 2.760 1.590 9.523 1.00 0.00 O ATOM 985 CB ASP A 64 2.147 -1.486 10.326 1.00 0.00 C ATOM 986 CG ASP A 64 2.209 -0.976 11.752 1.00 0.00 C ATOM 987 OD1 ASP A 64 3.208 -0.316 12.105 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.256 -1.238 12.517 1.00 0.00 O ATOM 0 H ASP A 64 1.107 -2.147 8.189 1.00 0.00 H new ATOM 0 HA ASP A 64 0.741 0.078 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.564 -2.407 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.153 -1.735 9.988 1.00 0.00 H new ATOM 993 N LEU A 65 3.301 0.190 7.848 1.00 0.00 N ATOM 994 CA LEU A 65 4.346 1.056 7.314 1.00 0.00 C ATOM 995 C LEU A 65 3.747 2.319 6.704 1.00 0.00 C ATOM 996 O LEU A 65 4.171 3.432 7.015 1.00 0.00 O ATOM 997 CB LEU A 65 5.169 0.310 6.263 1.00 0.00 C ATOM 998 CG LEU A 65 6.250 -0.615 6.824 1.00 0.00 C ATOM 999 CD1 LEU A 65 7.027 -1.273 5.695 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.188 0.155 7.741 1.00 0.00 C ATOM 0 H LEU A 65 3.173 -0.682 7.334 1.00 0.00 H new ATOM 0 HA LEU A 65 4.998 1.346 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.492 -0.280 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.642 1.041 5.608 1.00 0.00 H new ATOM 0 HG LEU A 65 5.765 -1.397 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.792 -1.928 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.346 -1.859 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.501 -0.505 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.951 -0.519 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.666 0.958 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.620 0.578 8.570 1.00 0.00 H new ATOM 1012 N VAL A 66 2.758 2.139 5.835 1.00 0.00 N ATOM 1013 CA VAL A 66 2.100 3.263 5.181 1.00 0.00 C ATOM 1014 C VAL A 66 1.431 4.177 6.203 1.00 0.00 C ATOM 1015 O VAL A 66 1.501 5.400 6.095 1.00 0.00 O ATOM 1016 CB VAL A 66 1.044 2.784 4.166 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.477 3.962 3.388 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.639 1.749 3.222 1.00 0.00 C ATOM 0 H VAL A 66 2.395 1.224 5.567 1.00 0.00 H new ATOM 0 HA VAL A 66 2.874 3.819 4.652 1.00 0.00 H new ATOM 0 HB VAL A 66 0.228 2.314 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.267 3.604 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.010 4.663 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.281 4.464 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.878 1.423 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.475 2.190 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.990 0.892 3.797 1.00 0.00 H new ATOM 1028 N GLN A 67 0.783 3.574 7.194 1.00 0.00 N ATOM 1029 CA GLN A 67 0.102 4.332 8.235 1.00 0.00 C ATOM 1030 C GLN A 67 1.089 5.197 9.012 1.00 0.00 C ATOM 1031 O GLN A 67 0.740 6.276 9.493 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.629 3.387 9.190 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.801 2.662 8.551 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.225 1.436 9.335 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.432 0.851 10.073 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.483 1.039 9.179 1.00 0.00 N ATOM 0 H GLN A 67 0.716 2.562 7.297 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.627 4.985 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.079 2.651 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.989 3.957 10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.646 3.346 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.531 2.365 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.107 1.553 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.825 0.220 9.681 1.00 0.00 H new ATOM 1045 N SER A 68 2.322 4.717 9.132 1.00 0.00 N ATOM 1046 CA SER A 68 3.360 5.447 9.851 1.00 0.00 C ATOM 1047 C SER A 68 3.899 6.598 9.009 1.00 0.00 C ATOM 1048 O SER A 68 4.305 7.632 9.540 1.00 0.00 O ATOM 1049 CB SER A 68 4.502 4.504 10.237 1.00 0.00 C ATOM 1050 OG SER A 68 4.018 3.387 10.963 1.00 0.00 O ATOM 0 H SER A 68 2.627 3.826 8.741 1.00 0.00 H new ATOM 0 HA SER A 68 2.917 5.860 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.015 4.163 9.338 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.235 5.042 10.838 1.00 0.00 H new ATOM 0 HG SER A 68 3.902 2.627 10.355 1.00 0.00 H new ATOM 1056 N LYS A 69 3.900 6.412 7.693 1.00 0.00 N ATOM 1057 CA LYS A 69 4.389 7.436 6.776 1.00 0.00 C ATOM 1058 C LYS A 69 3.497 8.672 6.816 1.00 0.00 C ATOM 1059 O LYS A 69 3.865 9.697 7.391 1.00 0.00 O ATOM 1060 CB LYS A 69 4.455 6.884 5.351 1.00 0.00 C ATOM 1061 CG LYS A 69 5.511 5.807 5.164 1.00 0.00 C ATOM 1062 CD LYS A 69 5.587 5.346 3.718 1.00 0.00 C ATOM 1063 CE LYS A 69 6.547 4.179 3.555 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.969 4.615 3.630 1.00 0.00 N ATOM 0 H LYS A 69 3.568 5.562 7.237 1.00 0.00 H new ATOM 0 HA LYS A 69 5.391 7.724 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.480 6.476 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.658 7.704 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.482 6.190 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.283 4.957 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.595 5.053 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.909 6.175 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.353 3.438 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.367 3.692 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.551 3.837 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.303 4.875 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.047 5.438 4.261 1.00 0.00 H new ATOM 1078 N GLY A 70 2.323 8.571 6.199 1.00 0.00 N ATOM 1079 CA GLY A 70 1.398 9.688 6.177 1.00 0.00 C ATOM 1080 C GLY A 70 0.337 9.543 5.105 1.00 0.00 C ATOM 1081 O GLY A 70 0.179 8.471 4.519 1.00 0.00 O ATOM 0 H GLY A 70 1.997 7.735 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.916 9.776 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.953 10.612 6.012 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.393 10.623 4.848 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.446 10.613 3.839 1.00 0.00 C ATOM 1087 C GLU A 71 -0.855 10.599 2.433 1.00 0.00 C ATOM 1088 O GLU A 71 -1.462 10.071 1.500 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.357 11.831 4.010 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.301 11.723 5.195 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.722 11.392 4.781 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -5.181 11.932 3.752 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.375 10.594 5.485 1.00 0.00 O ATOM 0 H GLU A 71 -0.275 11.517 5.325 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.034 9.705 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.740 12.722 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.943 11.967 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.937 10.954 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.297 12.664 5.745 1.00 0.00 H new ATOM 1100 N GLU A 72 0.330 11.181 2.287 1.00 0.00 N ATOM 1101 CA GLU A 72 1.003 11.235 0.994 1.00 0.00 C ATOM 1102 C GLU A 72 1.216 9.833 0.431 1.00 0.00 C ATOM 1103 O GLU A 72 1.226 9.638 -0.785 1.00 0.00 O ATOM 1104 CB GLU A 72 2.347 11.954 1.126 1.00 0.00 C ATOM 1105 CG GLU A 72 2.795 12.643 -0.153 1.00 0.00 C ATOM 1106 CD GLU A 72 4.222 13.151 -0.073 1.00 0.00 C ATOM 1107 OE1 GLU A 72 5.149 12.314 -0.056 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.411 14.385 -0.026 1.00 0.00 O ATOM 0 H GLU A 72 0.845 11.623 3.049 1.00 0.00 H new ATOM 0 HA GLU A 72 0.367 11.790 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.277 12.695 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.108 11.233 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.708 11.946 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.127 13.478 -0.364 1.00 0.00 H new ATOM 1115 N VAL A 73 1.386 8.863 1.321 1.00 0.00 N ATOM 1116 CA VAL A 73 1.597 7.479 0.911 1.00 0.00 C ATOM 1117 C VAL A 73 0.321 6.659 1.064 1.00 0.00 C ATOM 1118 O VAL A 73 0.088 5.711 0.313 1.00 0.00 O ATOM 1119 CB VAL A 73 2.721 6.815 1.732 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.066 5.450 1.156 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.950 7.712 1.777 1.00 0.00 C ATOM 0 H VAL A 73 1.382 9.008 2.331 1.00 0.00 H new ATOM 0 HA VAL A 73 1.888 7.502 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 73 2.367 6.673 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.861 4.996 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.184 4.811 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.401 5.564 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.733 7.227 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.309 7.888 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.689 8.664 2.240 1.00 0.00 H new ATOM 1131 N SER A 74 -0.503 7.030 2.039 1.00 0.00 N ATOM 1132 CA SER A 74 -1.756 6.328 2.289 1.00 0.00 C ATOM 1133 C SER A 74 -2.675 6.406 1.073 1.00 0.00 C ATOM 1134 O SER A 74 -3.260 5.404 0.661 1.00 0.00 O ATOM 1135 CB SER A 74 -2.458 6.918 3.513 1.00 0.00 C ATOM 1136 OG SER A 74 -3.640 6.197 3.820 1.00 0.00 O ATOM 0 H SER A 74 -0.325 7.813 2.668 1.00 0.00 H new ATOM 0 HA SER A 74 -1.526 5.280 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.783 6.897 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.704 7.963 3.326 1.00 0.00 H new ATOM 0 HG SER A 74 -3.407 5.379 4.306 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.797 7.600 0.505 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.645 7.808 -0.663 1.00 0.00 C ATOM 1144 C GLU A 75 -3.114 7.037 -1.867 1.00 0.00 C ATOM 1145 O GLU A 75 -3.879 6.428 -2.613 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.735 9.298 -0.996 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.940 9.661 -1.850 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.301 11.130 -1.755 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.068 11.731 -0.686 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.815 11.680 -2.752 1.00 0.00 O ATOM 0 H GLU A 75 -2.319 8.439 0.834 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.642 7.435 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.774 9.867 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.827 9.600 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.733 9.408 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.795 9.060 -1.540 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.797 7.067 -2.048 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.162 6.370 -3.160 1.00 0.00 C ATOM 1159 C PHE A 76 -1.327 4.860 -3.023 1.00 0.00 C ATOM 1160 O PHE A 76 -1.627 4.167 -3.995 1.00 0.00 O ATOM 1161 CB PHE A 76 0.323 6.728 -3.234 1.00 0.00 C ATOM 1162 CG PHE A 76 0.988 6.275 -4.502 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.871 7.019 -5.665 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.729 5.104 -4.531 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.481 6.605 -6.833 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.341 4.685 -5.697 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.218 5.436 -6.850 1.00 0.00 C ATOM 0 H PHE A 76 -1.149 7.567 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.651 6.688 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.433 7.809 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.839 6.282 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.296 7.933 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.829 4.513 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.382 7.194 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.915 3.770 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.696 5.111 -7.762 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.129 4.357 -1.809 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.255 2.928 -1.544 1.00 0.00 C ATOM 1179 C PHE A 77 -2.691 2.460 -1.756 1.00 0.00 C ATOM 1180 O PHE A 77 -2.930 1.316 -2.143 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.808 2.612 -0.115 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.762 1.142 0.188 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.162 0.320 -0.437 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.642 0.582 1.099 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.208 -1.033 -0.160 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.602 -0.771 1.381 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.676 -1.579 0.751 1.00 0.00 C ATOM 0 H PHE A 77 -0.881 4.917 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.612 2.395 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.181 3.040 0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.487 3.098 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.855 0.742 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.368 1.209 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.933 -1.662 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.294 -1.195 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.643 -2.636 0.970 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.643 3.351 -1.499 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.056 3.028 -1.662 1.00 0.00 C ATOM 1199 C LEU A 78 -5.492 3.203 -3.113 1.00 0.00 C ATOM 1200 O LEU A 78 -6.385 2.503 -3.592 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.910 3.913 -0.751 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.852 3.558 0.736 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.507 4.647 1.570 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.522 2.215 0.988 1.00 0.00 C ATOM 0 H LEU A 78 -3.462 4.302 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.199 1.984 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.593 4.948 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.947 3.856 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.806 3.482 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.456 4.377 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.985 5.591 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.550 4.755 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.472 1.977 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.565 2.265 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.009 1.440 0.418 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.857 4.141 -3.808 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.180 4.408 -5.205 1.00 0.00 C ATOM 1218 C TYR A 79 -4.807 3.221 -6.088 1.00 0.00 C ATOM 1219 O TYR A 79 -5.557 2.844 -6.987 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.454 5.665 -5.687 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.232 6.462 -6.710 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.175 6.138 -8.059 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.022 7.537 -6.325 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.885 6.864 -8.998 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.735 8.268 -7.257 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.663 7.927 -8.591 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.371 8.653 -9.522 1.00 0.00 O ATOM 0 H TYR A 79 -4.116 4.729 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.256 4.567 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.241 6.302 -4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.494 5.377 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.566 5.306 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.080 7.806 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.830 6.600 -10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.345 9.102 -6.942 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.869 9.367 -9.071 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.643 2.636 -5.824 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.170 1.492 -6.594 1.00 0.00 C ATOM 1239 C LEU A 80 -4.128 0.312 -6.463 1.00 0.00 C ATOM 1240 O LEU A 80 -4.258 -0.499 -7.379 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.771 1.082 -6.131 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.672 2.112 -6.397 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.411 2.024 -5.332 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.078 1.913 -7.783 1.00 0.00 C ATOM 0 H LEU A 80 -3.010 2.936 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.127 1.786 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.805 0.878 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.500 0.149 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.115 3.107 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.184 2.764 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.026 2.218 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.851 1.027 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.702 2.655 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.350 0.913 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.860 2.028 -8.534 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.795 0.222 -5.317 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.741 -0.861 -5.067 1.00 0.00 C ATOM 1258 C LEU A 81 -6.866 -0.851 -6.096 1.00 0.00 C ATOM 1259 O LEU A 81 -7.422 -1.898 -6.431 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.324 -0.740 -3.657 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.350 -1.066 -2.524 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.913 -0.606 -1.188 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.051 -2.558 -2.493 1.00 0.00 C ATOM 0 H LEU A 81 -4.699 0.885 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.204 -1.806 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.692 0.277 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.185 -1.404 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.418 -0.531 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.207 -0.846 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.077 0.471 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.859 -1.113 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.356 -2.773 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.977 -3.111 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.606 -2.860 -3.441 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.199 0.336 -6.594 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.260 0.478 -7.585 1.00 0.00 C ATOM 1277 C GLN A 82 -7.751 0.142 -8.982 1.00 0.00 C ATOM 1278 O GLN A 82 -8.387 -0.610 -9.721 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.819 1.902 -7.561 1.00 0.00 C ATOM 1280 CG GLN A 82 -9.970 2.088 -6.587 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.810 3.310 -6.903 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.286 4.358 -7.278 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.123 3.179 -6.752 1.00 0.00 N ATOM 0 H GLN A 82 -6.750 1.212 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.056 -0.223 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.018 2.593 -7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.156 2.168 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.604 1.201 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.574 2.176 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.514 2.291 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.740 3.967 -6.949 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.602 0.705 -9.340 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.008 0.466 -10.651 1.00 0.00 C ATOM 1294 C GLN A 83 -5.514 -0.973 -10.771 1.00 0.00 C ATOM 1295 O GLN A 83 -5.668 -1.608 -11.814 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.851 1.436 -10.895 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.300 2.817 -11.345 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.141 3.695 -11.774 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.059 3.204 -12.092 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -4.363 5.005 -11.783 1.00 0.00 N ATOM 0 H GLN A 83 -6.063 1.330 -8.741 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.777 0.631 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.269 1.533 -9.978 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.188 1.015 -11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.000 2.715 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.838 3.303 -10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.276 5.369 -11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.620 5.646 -12.061 1.00 0.00 H new ATOM 1309 N LEU A 84 -4.919 -1.480 -9.697 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.401 -2.843 -9.681 1.00 0.00 C ATOM 1311 C LEU A 84 -5.535 -3.862 -9.595 1.00 0.00 C ATOM 1312 O LEU A 84 -5.377 -5.015 -9.997 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.441 -3.034 -8.505 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.116 -2.278 -8.623 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.214 -2.595 -7.440 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.422 -2.621 -9.933 1.00 0.00 C ATOM 0 H LEU A 84 -4.783 -0.967 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.862 -3.006 -10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.943 -2.717 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.227 -4.098 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.327 -1.209 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.276 -2.049 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.709 -2.299 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.009 -3.665 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.481 -2.075 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.223 -3.692 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.064 -2.342 -10.769 1.00 0.00 H new ATOM 1328 N ALA A 85 -6.680 -3.430 -9.070 1.00 0.00 N ATOM 1329 CA ALA A 85 -7.838 -4.306 -8.932 1.00 0.00 C ATOM 1330 C ALA A 85 -8.175 -4.995 -10.252 1.00 0.00 C ATOM 1331 O ALA A 85 -8.725 -6.096 -10.266 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.038 -3.518 -8.428 1.00 0.00 C ATOM 0 H ALA A 85 -6.829 -2.479 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.588 -5.079 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.895 -4.184 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.805 -3.081 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.275 -2.724 -9.136 1.00 0.00 H new ATOM 1338 N ASP A 86 -7.838 -4.340 -11.359 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.104 -4.892 -12.683 1.00 0.00 C ATOM 1340 C ASP A 86 -7.405 -6.236 -12.864 1.00 0.00 C ATOM 1341 O ASP A 86 -7.890 -7.107 -13.587 1.00 0.00 O ATOM 1342 CB ASP A 86 -7.644 -3.915 -13.767 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.764 -3.014 -14.248 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.484 -2.455 -13.394 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.923 -2.870 -15.478 1.00 0.00 O ATOM 0 H ASP A 86 -7.381 -3.428 -11.366 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.179 -5.047 -12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.831 -3.302 -13.378 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.245 -4.476 -14.612 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.265 -6.398 -12.202 1.00 0.00 N ATOM 1351 CA ALA A 87 -5.499 -7.636 -12.289 1.00 0.00 C ATOM 1352 C ALA A 87 -5.610 -8.443 -11.000 1.00 0.00 C ATOM 1353 O ALA A 87 -4.680 -9.151 -10.617 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.041 -7.334 -12.601 1.00 0.00 C ATOM 0 H ALA A 87 -5.851 -5.687 -11.599 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.916 -8.235 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.481 -8.267 -12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.974 -6.807 -13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.621 -6.711 -11.811 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.754 -8.329 -10.332 1.00 0.00 N ATOM 1361 CA TYR A 88 -6.986 -9.048 -9.085 1.00 0.00 C ATOM 1362 C TYR A 88 -8.287 -9.841 -9.147 1.00 0.00 C ATOM 1363 O TYR A 88 -9.037 -9.747 -10.119 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.024 -8.072 -7.907 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.692 -7.910 -7.212 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.172 -8.928 -6.422 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -4.955 -6.741 -7.344 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.955 -8.784 -5.784 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -3.736 -6.589 -6.710 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.241 -7.613 -5.932 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.028 -7.466 -5.298 1.00 0.00 O ATOM 0 H TYR A 88 -7.534 -7.746 -10.634 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.163 -9.748 -8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.359 -7.098 -8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.762 -8.418 -7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.728 -9.846 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.341 -5.936 -7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.565 -9.584 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.175 -5.673 -6.824 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.039 -7.960 -4.452 1.00 0.00 H new ATOM 1381 N VAL A 89 -8.551 -10.620 -8.103 1.00 0.00 N ATOM 1382 CA VAL A 89 -9.763 -11.429 -8.039 1.00 0.00 C ATOM 1383 C VAL A 89 -10.370 -11.400 -6.641 1.00 0.00 C ATOM 1384 O VAL A 89 -10.969 -12.379 -6.193 1.00 0.00 O ATOM 1385 CB VAL A 89 -9.483 -12.890 -8.436 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -9.146 -12.988 -9.916 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -8.362 -13.469 -7.587 1.00 0.00 C ATOM 0 H VAL A 89 -7.942 -10.708 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.470 -10.997 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.385 -13.475 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.951 -14.028 -10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.984 -12.617 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.260 -12.389 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.178 -14.502 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.455 -12.883 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.648 -13.437 -6.536 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.212 -10.273 -5.955 1.00 0.00 N ATOM 1398 CA ASP A 90 -10.745 -10.118 -4.607 1.00 0.00 C ATOM 1399 C ASP A 90 -11.016 -8.649 -4.294 1.00 0.00 C ATOM 1400 O ASP A 90 -12.105 -8.291 -3.846 1.00 0.00 O ATOM 1401 CB ASP A 90 -9.771 -10.698 -3.580 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.101 -12.133 -3.216 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -9.586 -13.050 -3.889 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.875 -12.338 -2.257 1.00 0.00 O ATOM 0 H ASP A 90 -9.719 -9.454 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.687 -10.663 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.757 -10.651 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.789 -10.084 -2.679 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.019 -7.805 -4.534 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.150 -6.375 -4.278 1.00 0.00 C ATOM 1411 C LEU A 91 -11.144 -5.737 -5.243 1.00 0.00 C ATOM 1412 O LEU A 91 -10.861 -5.586 -6.431 1.00 0.00 O ATOM 1413 CB LEU A 91 -8.790 -5.687 -4.400 1.00 0.00 C ATOM 1414 CG LEU A 91 -7.782 -6.045 -3.307 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -6.363 -5.999 -3.852 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -7.929 -5.106 -2.119 1.00 0.00 C ATOM 0 H LEU A 91 -9.111 -8.086 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.525 -6.247 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.358 -5.940 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.944 -4.608 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.986 -7.061 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.660 -6.257 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.264 -6.712 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.146 -4.995 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.204 -5.375 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.752 -4.080 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.937 -5.189 -1.712 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.308 -5.363 -4.723 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.347 -4.739 -5.536 1.00 0.00 C ATOM 1430 C ARG A 92 -14.572 -4.397 -4.690 1.00 0.00 C ATOM 1431 O ARG A 92 -15.038 -3.257 -4.695 1.00 0.00 O ATOM 1432 CB ARG A 92 -13.745 -5.659 -6.694 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.792 -4.955 -8.041 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.129 -5.784 -9.129 1.00 0.00 C ATOM 1435 NE ARG A 92 -12.461 -4.948 -10.124 1.00 0.00 N ATOM 1436 CZ ARG A 92 -12.052 -5.393 -11.311 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -12.239 -6.661 -11.653 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -11.453 -4.565 -12.157 1.00 0.00 N ATOM 0 H ARG A 92 -12.556 -5.481 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.944 -3.812 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.037 -6.486 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.724 -6.091 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.829 -4.758 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.294 -3.989 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.403 -6.460 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.879 -6.403 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.299 -3.967 -9.896 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.698 -7.301 -11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.923 -6.996 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.306 -3.589 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.139 -4.904 -13.066 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.113 -5.380 -3.947 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.288 -5.168 -3.095 1.00 0.00 C ATOM 1454 C PRO A 93 -16.033 -4.128 -2.010 1.00 0.00 C ATOM 1455 O PRO A 93 -16.941 -3.402 -1.606 1.00 0.00 O ATOM 1456 CB PRO A 93 -16.540 -6.544 -2.465 1.00 0.00 C ATOM 1457 CG PRO A 93 -15.815 -7.512 -3.337 1.00 0.00 C ATOM 1458 CD PRO A 93 -14.627 -6.769 -3.875 1.00 0.00 C ATOM 0 HA PRO A 93 -17.136 -4.789 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.169 -6.582 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.606 -6.770 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.503 -8.390 -2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.455 -7.864 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.762 -6.861 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.326 -7.143 -4.854 1.00 0.00 H new ATOM 1466 N TRP A 94 -14.791 -4.064 -1.542 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.413 -3.114 -0.502 1.00 0.00 C ATOM 1468 C TRP A 94 -14.361 -1.693 -1.054 1.00 0.00 C ATOM 1469 O TRP A 94 -14.795 -0.746 -0.398 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.055 -3.494 0.093 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.615 -2.585 1.200 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.267 -2.349 2.376 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.424 -1.790 1.233 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.555 -1.456 3.138 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.419 -1.097 2.459 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.361 -1.595 0.346 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.394 -0.226 2.819 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.344 -0.731 0.704 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.366 -0.056 1.931 1.00 0.00 C ATOM 0 H TRP A 94 -14.029 -4.659 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.169 -3.150 0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.105 -4.516 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.304 -3.482 -0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.205 -2.799 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.827 -1.115 4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.335 -2.111 -0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.409 0.296 3.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.518 -0.573 0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.555 0.612 2.182 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.827 -1.552 -2.263 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.717 -0.245 -2.903 1.00 0.00 C ATOM 1492 C LEU A 95 -15.088 0.409 -3.047 1.00 0.00 C ATOM 1493 O LEU A 95 -15.270 1.575 -2.699 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.058 -0.382 -4.277 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.637 -0.950 -4.260 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.203 -1.344 -5.662 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.668 0.059 -3.664 1.00 0.00 C ATOM 0 H LEU A 95 -13.464 -2.326 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.097 0.390 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.682 -1.023 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.035 0.599 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.630 -1.843 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.190 -1.746 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.882 -2.102 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.225 -0.468 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.662 -0.361 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.678 0.970 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.968 0.292 -2.642 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.049 -0.350 -3.565 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.403 0.156 -3.755 1.00 0.00 C ATOM 1511 C LEU A 96 -18.033 0.543 -2.420 1.00 0.00 C ATOM 1512 O LEU A 96 -18.856 1.455 -2.353 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.267 -0.893 -4.460 1.00 0.00 C ATOM 1514 CG LEU A 96 -18.522 -0.628 -5.945 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.565 -1.936 -6.722 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -19.817 0.147 -6.133 1.00 0.00 C ATOM 0 H LEU A 96 -15.915 -1.317 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.348 1.048 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.787 -1.866 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.227 -0.955 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.701 -0.025 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.747 -1.727 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.612 -2.455 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.366 -2.564 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.983 0.327 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.648 -0.430 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.749 1.101 -5.610 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.641 -0.157 -1.361 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.167 0.112 -0.029 1.00 0.00 C ATOM 1530 C GLU A 97 -17.638 1.439 0.507 1.00 0.00 C ATOM 1531 O GLU A 97 -18.400 2.265 1.010 1.00 0.00 O ATOM 1532 CB GLU A 97 -17.800 -1.025 0.928 1.00 0.00 C ATOM 1533 CG GLU A 97 -18.971 -1.928 1.277 1.00 0.00 C ATOM 1534 CD GLU A 97 -18.528 -3.285 1.790 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -17.616 -3.329 2.641 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -19.096 -4.303 1.341 1.00 0.00 O ATOM 0 H GLU A 97 -16.960 -0.915 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.253 0.178 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.010 -1.626 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.394 -0.600 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.588 -1.442 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.596 -2.064 0.394 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.329 1.637 0.396 1.00 0.00 N ATOM 1544 CA ILE A 98 -15.699 2.864 0.869 1.00 0.00 C ATOM 1545 C ILE A 98 -15.946 4.017 -0.098 1.00 0.00 C ATOM 1546 O ILE A 98 -16.076 5.169 0.315 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.181 2.680 1.056 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.526 2.272 -0.265 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -13.901 1.645 2.135 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.015 2.214 -0.198 1.00 0.00 C ATOM 0 H ILE A 98 -15.684 0.964 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.150 3.100 1.833 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.752 3.631 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.906 1.295 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.820 2.979 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -12.824 1.527 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.337 1.975 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.341 0.690 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.619 1.918 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.625 3.196 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.712 1.486 0.554 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.008 3.699 -1.388 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.237 4.719 -2.393 1.00 0.00 C ATOM 1564 C GLY A 99 -15.034 5.620 -2.590 1.00 0.00 C ATOM 1565 O GLY A 99 -15.039 6.776 -2.166 1.00 0.00 O ATOM 0 H GLY A 99 -15.904 2.753 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.488 4.241 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.096 5.324 -2.103 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.000 5.090 -3.235 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.784 5.853 -3.488 1.00 0.00 C ATOM 1571 C PHE A 100 -12.930 6.713 -4.739 1.00 0.00 C ATOM 1572 O PHE A 100 -13.250 6.209 -5.816 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.588 4.912 -3.640 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.293 5.503 -3.162 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.580 6.383 -3.960 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.789 5.179 -1.911 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.389 6.928 -3.521 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.597 5.722 -1.468 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.897 6.597 -2.274 1.00 0.00 C ATOM 0 H PHE A 100 -13.980 4.135 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.615 6.510 -2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.786 3.995 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.486 4.635 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.960 6.646 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.333 4.495 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.843 7.613 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.214 5.462 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.966 7.022 -1.930 1.00 0.00 H new