USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 886 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot -87:sc= 1.37 USER MOD Set 2.2: A 76 THR OG1 : rot -41:sc= 0.919 USER MOD Single : A 9 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.2!) USER MOD Single : A 11 SER OG : rot 73:sc= 0.596 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.00717 (180deg=-0.0494) USER MOD Single : A 43 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.8!) USER MOD Single : A 45 TYR OH : rot -80:sc= 0.34 USER MOD Single : A 62 THR OG1 : rot 125:sc= 0.304 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -1.54 (180deg=-1.92!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -0.0481 (180deg=-0.364) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.53) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.494 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2.36! X(o=-2.4!,f=-2.1) USER MOD Single : A 91 MET CE :methyl -173:sc= -6.83! (180deg=-7.04!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 99 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.8!) USER MOD Single : A 119 THR OG1 : rot 180:sc=-0.00178 USER MOD Single : A 127 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.012) USER MOD Single : A 129 TYR OH : rot 70:sc= -0.416 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.272 -12.488 -1.262 1.00 0.00 N ATOM 67 CA GLY A 8 0.156 -13.027 -0.503 1.00 0.00 C ATOM 68 C GLY A 8 -1.060 -12.102 -0.583 1.00 0.00 C ATOM 69 O GLY A 8 -1.593 -11.864 -1.666 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.107 -14.013 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.450 -13.158 0.538 1.00 0.00 H new ATOM 73 N GLN A 9 -1.464 -11.607 0.577 1.00 0.00 N ATOM 74 CA GLN A 9 -2.607 -10.713 0.652 1.00 0.00 C ATOM 75 C GLN A 9 -2.312 -9.552 1.604 1.00 0.00 C ATOM 76 O GLN A 9 -1.583 -9.716 2.581 1.00 0.00 O ATOM 77 CB GLN A 9 -3.866 -11.469 1.083 1.00 0.00 C ATOM 78 CG GLN A 9 -4.311 -12.454 0.001 1.00 0.00 C ATOM 79 CD GLN A 9 -5.530 -13.258 0.460 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.470 -14.051 1.386 1.00 0.00 O ATOM 81 NE2 GLN A 9 -6.635 -13.011 -0.238 1.00 0.00 N ATOM 0 H GLN A 9 -1.020 -11.808 1.473 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.790 -10.304 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.672 -12.006 2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.668 -10.760 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.552 -11.911 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.492 -13.133 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.616 -12.335 -1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.502 -13.498 -0.010 1.00 0.00 H new ATOM 90 N LEU A 10 -2.893 -8.405 1.285 1.00 0.00 N ATOM 91 CA LEU A 10 -2.701 -7.217 2.099 1.00 0.00 C ATOM 92 C LEU A 10 -4.065 -6.619 2.450 1.00 0.00 C ATOM 93 O LEU A 10 -4.980 -6.626 1.628 1.00 0.00 O ATOM 94 CB LEU A 10 -1.761 -6.234 1.399 1.00 0.00 C ATOM 95 CG LEU A 10 -1.372 -4.990 2.202 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.850 -5.373 3.588 1.00 0.00 C ATOM 97 CD2 LEU A 10 -0.370 -4.130 1.429 1.00 0.00 C ATOM 0 H LEU A 10 -3.497 -8.273 0.474 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.213 -7.474 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.849 -6.766 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.232 -5.910 0.471 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.267 -4.386 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.581 -4.471 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.625 -5.912 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.029 -6.010 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.110 -3.253 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.530 -4.712 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.815 -3.812 0.486 1.00 0.00 H new ATOM 109 N SER A 11 -4.158 -6.116 3.672 1.00 0.00 N ATOM 110 CA SER A 11 -5.395 -5.515 4.142 1.00 0.00 C ATOM 111 C SER A 11 -5.276 -3.990 4.121 1.00 0.00 C ATOM 112 O SER A 11 -4.464 -3.417 4.846 1.00 0.00 O ATOM 113 CB SER A 11 -5.744 -6.001 5.550 1.00 0.00 C ATOM 114 OG SER A 11 -6.301 -7.313 5.539 1.00 0.00 O ATOM 0 H SER A 11 -3.397 -6.112 4.351 1.00 0.00 H new ATOM 0 HA SER A 11 -6.199 -5.820 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.847 -5.993 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.453 -5.310 6.007 1.00 0.00 H new ATOM 0 HG SER A 11 -5.595 -7.967 5.353 1.00 0.00 H new ATOM 120 N ILE A 12 -6.099 -3.375 3.284 1.00 0.00 N ATOM 121 CA ILE A 12 -6.097 -1.927 3.160 1.00 0.00 C ATOM 122 C ILE A 12 -7.521 -1.401 3.349 1.00 0.00 C ATOM 123 O ILE A 12 -8.435 -1.802 2.631 1.00 0.00 O ATOM 124 CB ILE A 12 -5.456 -1.504 1.837 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.952 -1.786 1.841 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.764 -0.039 1.522 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.526 -2.508 0.562 1.00 0.00 C ATOM 0 H ILE A 12 -6.772 -3.853 2.685 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.485 -1.479 3.942 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.893 -2.104 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.403 -0.849 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.695 -2.394 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.297 0.236 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.843 0.098 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.372 0.594 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.453 -2.696 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.059 -3.456 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.762 -1.887 -0.302 1.00 0.00 H new ATOM 139 N LYS A 13 -7.664 -0.511 4.320 1.00 0.00 N ATOM 140 CA LYS A 13 -8.962 0.074 4.613 1.00 0.00 C ATOM 141 C LYS A 13 -9.048 1.460 3.972 1.00 0.00 C ATOM 142 O LYS A 13 -8.307 2.368 4.346 1.00 0.00 O ATOM 143 CB LYS A 13 -9.220 0.077 6.121 1.00 0.00 C ATOM 144 CG LYS A 13 -10.606 -0.486 6.442 1.00 0.00 C ATOM 145 CD LYS A 13 -10.955 -0.277 7.917 1.00 0.00 C ATOM 146 CE LYS A 13 -9.855 -0.831 8.824 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.174 -0.567 10.245 1.00 0.00 N ATOM 0 H LYS A 13 -6.903 -0.181 4.914 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.759 -0.529 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.457 -0.516 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.139 1.094 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.354 -0.000 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.634 -1.550 6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.093 0.786 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.901 -0.769 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.748 -1.904 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.899 -0.373 8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.417 -0.949 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.254 0.459 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.075 -1.024 10.489 1.00 0.00 H new ATOM 161 N LEU A 14 -9.958 1.580 3.016 1.00 0.00 N ATOM 162 CA LEU A 14 -10.150 2.840 2.319 1.00 0.00 C ATOM 163 C LEU A 14 -11.477 3.463 2.757 1.00 0.00 C ATOM 164 O LEU A 14 -12.425 2.749 3.081 1.00 0.00 O ATOM 165 CB LEU A 14 -10.034 2.639 0.807 1.00 0.00 C ATOM 166 CG LEU A 14 -8.684 2.128 0.300 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.782 1.675 -1.158 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.590 3.178 0.501 1.00 0.00 C ATOM 0 H LEU A 14 -10.570 0.825 2.708 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.363 3.546 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.807 1.937 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.248 3.589 0.317 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.405 1.255 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.809 1.316 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.513 0.871 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.094 2.514 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.641 2.789 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.849 4.083 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.499 3.410 1.562 1.00 0.00 H new ATOM 180 N TRP A 15 -11.502 4.787 2.753 1.00 0.00 N ATOM 181 CA TRP A 15 -12.698 5.514 3.146 1.00 0.00 C ATOM 182 C TRP A 15 -12.623 6.914 2.533 1.00 0.00 C ATOM 183 O TRP A 15 -11.543 7.492 2.427 1.00 0.00 O ATOM 184 CB TRP A 15 -12.851 5.536 4.668 1.00 0.00 C ATOM 185 CG TRP A 15 -13.874 6.554 5.176 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.645 7.779 5.669 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.307 6.383 5.222 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.820 8.408 6.027 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.863 7.532 5.746 1.00 0.00 C ATOM 190 CE3 TRP A 15 -16.106 5.294 4.832 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.240 7.702 5.930 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.481 5.480 5.022 1.00 0.00 C ATOM 193 CH2 TRP A 15 -18.056 6.631 5.548 1.00 0.00 C ATOM 0 H TRP A 15 -10.714 5.376 2.484 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.592 5.017 2.771 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.143 4.542 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.882 5.755 5.117 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.664 8.219 5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.907 9.343 6.425 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.692 4.386 4.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.651 8.611 6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.141 4.673 4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.128 6.699 5.661 1.00 0.00 H new ATOM 204 N PHE A 16 -13.786 7.418 2.144 1.00 0.00 N ATOM 205 CA PHE A 16 -13.866 8.738 1.544 1.00 0.00 C ATOM 206 C PHE A 16 -14.582 9.720 2.473 1.00 0.00 C ATOM 207 O PHE A 16 -15.738 9.507 2.835 1.00 0.00 O ATOM 208 CB PHE A 16 -14.673 8.595 0.253 1.00 0.00 C ATOM 209 CG PHE A 16 -14.797 9.890 -0.551 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.680 10.511 -1.017 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.024 10.421 -0.801 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.795 11.714 -1.763 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.139 11.624 -1.547 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.022 12.245 -2.012 1.00 0.00 C ATOM 0 H PHE A 16 -14.680 6.935 2.233 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.863 9.122 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.206 7.835 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.672 8.236 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.706 10.089 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.911 9.928 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.908 12.207 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.113 12.046 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.109 13.160 -2.579 1.00 0.00 H new ATOM 224 N ASP A 17 -13.865 10.775 2.833 1.00 0.00 N ATOM 225 CA ASP A 17 -14.418 11.791 3.713 1.00 0.00 C ATOM 226 C ASP A 17 -14.975 12.941 2.871 1.00 0.00 C ATOM 227 O ASP A 17 -14.227 13.815 2.437 1.00 0.00 O ATOM 228 CB ASP A 17 -13.343 12.360 4.640 1.00 0.00 C ATOM 229 CG ASP A 17 -13.769 13.589 5.446 1.00 0.00 C ATOM 230 OD1 ASP A 17 -13.571 14.707 4.924 1.00 0.00 O ATOM 231 OD2 ASP A 17 -14.284 13.383 6.567 1.00 0.00 O ATOM 0 H ASP A 17 -12.906 10.948 2.531 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.202 11.328 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.032 11.579 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.470 12.621 4.042 1.00 0.00 H new ATOM 236 N LYS A 18 -16.283 12.903 2.667 1.00 0.00 N ATOM 237 CA LYS A 18 -16.948 13.931 1.885 1.00 0.00 C ATOM 238 C LYS A 18 -16.987 15.232 2.689 1.00 0.00 C ATOM 239 O LYS A 18 -17.134 16.313 2.121 1.00 0.00 O ATOM 240 CB LYS A 18 -18.327 13.449 1.428 1.00 0.00 C ATOM 241 CG LYS A 18 -19.267 13.268 2.622 1.00 0.00 C ATOM 242 CD LYS A 18 -19.607 11.791 2.832 1.00 0.00 C ATOM 243 CE LYS A 18 -20.458 11.598 4.089 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.992 10.219 4.147 1.00 0.00 N ATOM 0 H LYS A 18 -16.900 12.176 3.030 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.389 14.136 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.755 14.168 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.227 12.505 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.800 13.669 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.183 13.836 2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.144 11.411 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.688 11.211 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.858 11.799 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.281 12.313 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.567 10.105 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.582 10.040 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.203 9.542 4.166 1.00 0.00 H new ATOM 258 N VAL A 19 -16.851 15.085 3.999 1.00 0.00 N ATOM 259 CA VAL A 19 -16.869 16.236 4.886 1.00 0.00 C ATOM 260 C VAL A 19 -15.866 17.277 4.385 1.00 0.00 C ATOM 261 O VAL A 19 -16.257 18.322 3.868 1.00 0.00 O ATOM 262 CB VAL A 19 -16.599 15.790 6.325 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.555 16.991 7.272 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.639 14.767 6.786 1.00 0.00 C ATOM 0 H VAL A 19 -16.728 14.187 4.467 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.853 16.705 4.883 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.621 15.308 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.362 16.646 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.761 17.670 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.511 17.513 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.424 14.467 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.633 15.212 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.602 13.892 6.136 1.00 0.00 H new ATOM 274 N GLY A 20 -14.592 16.955 4.556 1.00 0.00 N ATOM 275 CA GLY A 20 -13.530 17.849 4.127 1.00 0.00 C ATOM 276 C GLY A 20 -12.960 17.414 2.776 1.00 0.00 C ATOM 277 O GLY A 20 -12.002 18.008 2.282 1.00 0.00 O ATOM 0 H GLY A 20 -14.271 16.087 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.914 18.866 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.736 17.861 4.874 1.00 0.00 H new ATOM 281 N HIS A 21 -13.572 16.382 2.216 1.00 0.00 N ATOM 282 CA HIS A 21 -13.137 15.861 0.931 1.00 0.00 C ATOM 283 C HIS A 21 -11.720 15.296 1.059 1.00 0.00 C ATOM 284 O HIS A 21 -10.802 15.753 0.380 1.00 0.00 O ATOM 285 CB HIS A 21 -13.252 16.930 -0.157 1.00 0.00 C ATOM 286 CG HIS A 21 -14.667 17.184 -0.621 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.181 18.456 -0.797 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.667 16.315 -0.945 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.436 18.347 -1.207 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.736 17.019 -1.297 1.00 0.00 N ATOM 0 H HIS A 21 -14.366 15.892 2.628 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.791 15.044 0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.831 17.863 0.218 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.648 16.629 -1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.600 15.237 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.104 19.165 -1.431 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.634 16.631 -1.587 1.00 0.00 H new ATOM 298 N GLN A 22 -11.588 14.311 1.935 1.00 0.00 N ATOM 299 CA GLN A 22 -10.299 13.679 2.161 1.00 0.00 C ATOM 300 C GLN A 22 -10.417 12.161 2.008 1.00 0.00 C ATOM 301 O GLN A 22 -11.476 11.589 2.262 1.00 0.00 O ATOM 302 CB GLN A 22 -9.740 14.050 3.536 1.00 0.00 C ATOM 303 CG GLN A 22 -10.416 15.309 4.081 1.00 0.00 C ATOM 304 CD GLN A 22 -9.990 15.578 5.526 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.440 16.616 5.855 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.275 14.588 6.367 1.00 0.00 N ATOM 0 H GLN A 22 -12.352 13.935 2.497 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.600 14.046 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.891 13.223 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.665 14.213 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.157 16.164 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.499 15.195 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.737 13.745 6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.032 14.671 7.354 1.00 0.00 H new ATOM 315 N LEU A 23 -9.316 11.552 1.593 1.00 0.00 N ATOM 316 CA LEU A 23 -9.284 10.112 1.404 1.00 0.00 C ATOM 317 C LEU A 23 -8.608 9.458 2.611 1.00 0.00 C ATOM 318 O LEU A 23 -7.445 9.735 2.902 1.00 0.00 O ATOM 319 CB LEU A 23 -8.626 9.762 0.067 1.00 0.00 C ATOM 320 CG LEU A 23 -9.001 8.404 -0.529 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.503 8.322 -0.807 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.170 8.106 -1.779 1.00 0.00 C ATOM 0 H LEU A 23 -8.440 12.030 1.382 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.297 9.712 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.882 10.537 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.544 9.793 0.198 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.767 7.633 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.742 7.346 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.053 8.458 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.785 9.103 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.456 7.135 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.349 8.878 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.112 8.093 -1.518 1.00 0.00 H new ATOM 334 N ILE A 24 -9.366 8.603 3.281 1.00 0.00 N ATOM 335 CA ILE A 24 -8.855 7.907 4.450 1.00 0.00 C ATOM 336 C ILE A 24 -8.278 6.556 4.023 1.00 0.00 C ATOM 337 O ILE A 24 -9.021 5.650 3.650 1.00 0.00 O ATOM 338 CB ILE A 24 -9.937 7.801 5.526 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.131 9.138 6.243 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.629 6.665 6.504 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.394 10.265 5.242 1.00 0.00 C ATOM 0 H ILE A 24 -10.330 8.376 3.037 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.041 8.472 4.904 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.881 7.558 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.966 9.063 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.244 9.370 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.414 6.612 7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.582 5.721 5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.671 6.852 6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.528 11.204 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.546 10.353 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.295 10.041 4.671 1.00 0.00 H new ATOM 353 N VAL A 25 -6.958 6.464 4.092 1.00 0.00 N ATOM 354 CA VAL A 25 -6.272 5.239 3.716 1.00 0.00 C ATOM 355 C VAL A 25 -5.574 4.654 4.945 1.00 0.00 C ATOM 356 O VAL A 25 -4.631 5.245 5.469 1.00 0.00 O ATOM 357 CB VAL A 25 -5.312 5.511 2.556 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.574 4.236 2.146 1.00 0.00 C ATOM 359 CG2 VAL A 25 -6.051 6.125 1.365 1.00 0.00 C ATOM 0 H VAL A 25 -6.345 7.218 4.403 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.985 4.495 3.362 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.570 6.233 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.898 4.457 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.001 3.859 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.296 3.482 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.346 6.308 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.825 5.438 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.509 7.067 1.667 1.00 0.00 H new ATOM 369 N THR A 26 -6.065 3.499 5.371 1.00 0.00 N ATOM 370 CA THR A 26 -5.500 2.827 6.529 1.00 0.00 C ATOM 371 C THR A 26 -4.858 1.501 6.115 1.00 0.00 C ATOM 372 O THR A 26 -5.523 0.634 5.551 1.00 0.00 O ATOM 373 CB THR A 26 -6.609 2.666 7.570 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.404 3.753 8.467 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.418 1.422 8.441 1.00 0.00 C ATOM 0 H THR A 26 -6.848 3.012 4.935 1.00 0.00 H new ATOM 0 HA THR A 26 -4.698 3.415 6.976 1.00 0.00 H new ATOM 0 HB THR A 26 -7.574 2.612 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.768 3.487 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.232 1.355 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.418 0.533 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.468 1.491 8.971 1.00 0.00 H new ATOM 383 N ILE A 27 -3.571 1.386 6.411 1.00 0.00 N ATOM 384 CA ILE A 27 -2.831 0.181 6.077 1.00 0.00 C ATOM 385 C ILE A 27 -2.891 -0.793 7.255 1.00 0.00 C ATOM 386 O ILE A 27 -2.069 -0.721 8.167 1.00 0.00 O ATOM 387 CB ILE A 27 -1.407 0.530 5.640 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.419 1.480 4.440 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.594 -0.735 5.361 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.153 0.855 3.252 1.00 0.00 C ATOM 0 H ILE A 27 -3.022 2.108 6.878 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.287 -0.321 5.224 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.916 1.054 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.902 2.417 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.396 1.722 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.414 -0.459 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.543 -1.342 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.073 -1.307 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.147 1.551 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.653 -0.069 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.183 0.637 3.535 1.00 0.00 H new ATOM 402 N LEU A 28 -3.874 -1.680 7.199 1.00 0.00 N ATOM 403 CA LEU A 28 -4.052 -2.666 8.251 1.00 0.00 C ATOM 404 C LEU A 28 -2.776 -3.500 8.384 1.00 0.00 C ATOM 405 O LEU A 28 -1.814 -3.073 9.020 1.00 0.00 O ATOM 406 CB LEU A 28 -5.309 -3.501 7.995 1.00 0.00 C ATOM 407 CG LEU A 28 -6.635 -2.739 8.013 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.673 -3.425 7.122 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.142 -2.552 9.444 1.00 0.00 C ATOM 0 H LEU A 28 -4.555 -1.736 6.442 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.213 -2.175 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.206 -3.989 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.356 -4.290 8.745 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.463 -1.745 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.607 -2.863 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.305 -3.462 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.848 -4.439 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.086 -2.007 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.294 -3.527 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.408 -1.988 10.019 1.00 0.00 H new ATOM 421 N GLY A 29 -2.810 -4.676 7.773 1.00 0.00 N ATOM 422 CA GLY A 29 -1.668 -5.574 7.815 1.00 0.00 C ATOM 423 C GLY A 29 -1.745 -6.612 6.694 1.00 0.00 C ATOM 424 O GLY A 29 -2.791 -6.777 6.067 1.00 0.00 O ATOM 0 H GLY A 29 -3.610 -5.027 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.746 -5.000 7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.633 -6.078 8.781 1.00 0.00 H new ATOM 428 N ALA A 30 -0.625 -7.285 6.475 1.00 0.00 N ATOM 429 CA ALA A 30 -0.553 -8.302 5.441 1.00 0.00 C ATOM 430 C ALA A 30 -0.776 -9.679 6.069 1.00 0.00 C ATOM 431 O ALA A 30 -0.863 -9.802 7.290 1.00 0.00 O ATOM 432 CB ALA A 30 0.792 -8.202 4.718 1.00 0.00 C ATOM 0 H ALA A 30 0.240 -7.145 6.997 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.335 -8.148 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.846 -8.966 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.889 -7.216 4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.601 -8.353 5.432 1.00 0.00 H new ATOM 438 N LYS A 31 -0.861 -10.681 5.207 1.00 0.00 N ATOM 439 CA LYS A 31 -1.072 -12.045 5.663 1.00 0.00 C ATOM 440 C LYS A 31 -0.553 -13.018 4.602 1.00 0.00 C ATOM 441 O LYS A 31 -0.687 -12.767 3.405 1.00 0.00 O ATOM 442 CB LYS A 31 -2.540 -12.265 6.034 1.00 0.00 C ATOM 443 CG LYS A 31 -3.423 -12.292 4.785 1.00 0.00 C ATOM 444 CD LYS A 31 -3.596 -13.721 4.266 1.00 0.00 C ATOM 445 CE LYS A 31 -4.740 -14.432 4.990 1.00 0.00 C ATOM 446 NZ LYS A 31 -4.257 -15.681 5.621 1.00 0.00 N ATOM 0 H LYS A 31 -0.788 -10.576 4.195 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.505 -12.234 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.645 -13.204 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.873 -11.471 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.399 -11.865 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.979 -11.670 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.796 -13.701 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.670 -14.278 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.163 -13.774 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.539 -14.659 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.024 -16.108 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.953 -16.348 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.454 -15.466 6.246 1.00 0.00 H new ATOM 460 N ASP A 32 0.028 -14.109 5.080 1.00 0.00 N ATOM 461 CA ASP A 32 0.567 -15.121 4.188 1.00 0.00 C ATOM 462 C ASP A 32 1.639 -14.490 3.297 1.00 0.00 C ATOM 463 O ASP A 32 1.444 -14.348 2.091 1.00 0.00 O ATOM 464 CB ASP A 32 -0.524 -15.695 3.282 1.00 0.00 C ATOM 465 CG ASP A 32 -1.465 -16.694 3.956 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.204 -17.012 5.136 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.425 -17.118 3.276 1.00 0.00 O ATOM 0 H ASP A 32 0.137 -14.314 6.073 1.00 0.00 H new ATOM 0 HA ASP A 32 0.985 -15.921 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.117 -14.871 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.049 -16.184 2.431 1.00 0.00 H new ATOM 472 N LEU A 33 2.749 -14.130 3.925 1.00 0.00 N ATOM 473 CA LEU A 33 3.851 -13.518 3.204 1.00 0.00 C ATOM 474 C LEU A 33 4.935 -14.568 2.951 1.00 0.00 C ATOM 475 O LEU A 33 4.999 -15.579 3.648 1.00 0.00 O ATOM 476 CB LEU A 33 4.356 -12.279 3.947 1.00 0.00 C ATOM 477 CG LEU A 33 3.835 -10.933 3.440 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.347 -11.017 3.094 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.128 -9.818 4.446 1.00 0.00 C ATOM 0 H LEU A 33 2.908 -14.251 4.925 1.00 0.00 H new ATOM 0 HA LEU A 33 3.517 -13.162 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.088 -12.377 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.445 -12.267 3.895 1.00 0.00 H new ATOM 0 HG LEU A 33 4.366 -10.685 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.001 -10.047 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.196 -11.766 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.782 -11.298 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.747 -8.872 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.641 -10.046 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.204 -9.740 4.600 1.00 0.00 H new ATOM 612 N ARG A 42 11.606 -11.462 7.277 1.00 0.00 N ATOM 613 CA ARG A 42 12.061 -10.288 6.551 1.00 0.00 C ATOM 614 C ARG A 42 11.457 -9.021 7.159 1.00 0.00 C ATOM 615 O ARG A 42 10.792 -9.080 8.192 1.00 0.00 O ATOM 616 CB ARG A 42 11.675 -10.371 5.073 1.00 0.00 C ATOM 617 CG ARG A 42 10.170 -10.598 4.911 1.00 0.00 C ATOM 618 CD ARG A 42 9.765 -10.554 3.436 1.00 0.00 C ATOM 619 NE ARG A 42 9.882 -11.903 2.838 1.00 0.00 N ATOM 620 CZ ARG A 42 11.011 -12.395 2.310 1.00 0.00 C ATOM 621 NH1 ARG A 42 12.126 -11.652 2.302 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.025 -13.629 1.789 1.00 0.00 N ATOM 0 HA ARG A 42 13.148 -10.250 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.964 -9.451 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.222 -11.184 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.896 -11.562 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.622 -9.836 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.741 -10.193 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.401 -9.852 2.897 1.00 0.00 H new ATOM 0 HE ARG A 42 9.051 -12.495 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.115 -10.712 2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.985 -12.026 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.176 -14.194 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.885 -14.003 1.387 1.00 0.00 H new ATOM 636 N ASN A 43 11.709 -7.904 6.491 1.00 0.00 N ATOM 637 CA ASN A 43 11.198 -6.625 6.953 1.00 0.00 C ATOM 638 C ASN A 43 10.223 -6.066 5.915 1.00 0.00 C ATOM 639 O ASN A 43 10.613 -5.287 5.047 1.00 0.00 O ATOM 640 CB ASN A 43 12.330 -5.611 7.132 1.00 0.00 C ATOM 641 CG ASN A 43 13.419 -6.163 8.054 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.227 -7.126 8.778 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.570 -5.500 7.989 1.00 0.00 N ATOM 0 H ASN A 43 12.260 -7.859 5.634 1.00 0.00 H new ATOM 0 HA ASN A 43 10.703 -6.786 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.760 -5.366 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.932 -4.685 7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.359 -5.790 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.664 -4.702 7.361 1.00 0.00 H new ATOM 650 N PRO A 44 8.939 -6.496 6.042 1.00 0.00 N ATOM 651 CA PRO A 44 7.905 -6.047 5.126 1.00 0.00 C ATOM 652 C PRO A 44 7.488 -4.607 5.432 1.00 0.00 C ATOM 653 O PRO A 44 7.539 -4.174 6.582 1.00 0.00 O ATOM 654 CB PRO A 44 6.769 -7.043 5.296 1.00 0.00 C ATOM 655 CG PRO A 44 7.017 -7.735 6.627 1.00 0.00 C ATOM 656 CD PRO A 44 8.440 -7.419 7.058 1.00 0.00 C ATOM 0 HA PRO A 44 8.243 -6.022 4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.803 -6.538 5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.755 -7.763 4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.305 -7.388 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.878 -8.812 6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.462 -6.966 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.049 -8.322 7.106 1.00 0.00 H new ATOM 664 N TYR A 45 7.086 -3.905 4.383 1.00 0.00 N ATOM 665 CA TYR A 45 6.661 -2.523 4.525 1.00 0.00 C ATOM 666 C TYR A 45 5.830 -2.078 3.320 1.00 0.00 C ATOM 667 O TYR A 45 6.191 -2.353 2.177 1.00 0.00 O ATOM 668 CB TYR A 45 7.944 -1.691 4.581 1.00 0.00 C ATOM 669 CG TYR A 45 8.524 -1.350 3.206 1.00 0.00 C ATOM 670 CD1 TYR A 45 7.966 -0.336 2.455 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.604 -2.056 2.719 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.511 -0.014 1.161 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.150 -1.734 1.425 1.00 0.00 C ATOM 674 CZ TYR A 45 9.577 -0.729 0.711 1.00 0.00 C ATOM 675 OH TYR A 45 10.092 -0.426 -0.511 1.00 0.00 O ATOM 0 H TYR A 45 7.046 -4.268 3.431 1.00 0.00 H new ATOM 0 HA TYR A 45 6.044 -2.401 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.741 -0.765 5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.693 -2.235 5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.120 0.216 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.040 -2.850 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.083 0.777 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.995 -2.279 1.031 1.00 0.00 H new ATOM 0 HH TYR A 45 9.540 -0.836 -1.209 1.00 0.00 H new ATOM 685 N VAL A 46 4.732 -1.398 3.617 1.00 0.00 N ATOM 686 CA VAL A 46 3.847 -0.912 2.572 1.00 0.00 C ATOM 687 C VAL A 46 4.283 0.493 2.154 1.00 0.00 C ATOM 688 O VAL A 46 4.973 1.182 2.903 1.00 0.00 O ATOM 689 CB VAL A 46 2.394 -0.971 3.048 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.426 -0.777 1.879 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.111 -2.283 3.782 1.00 0.00 C ATOM 0 H VAL A 46 4.435 -1.172 4.566 1.00 0.00 H new ATOM 0 HA VAL A 46 3.912 -1.548 1.689 1.00 0.00 H new ATOM 0 HB VAL A 46 2.238 -0.153 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.400 -0.823 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.603 0.194 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.584 -1.564 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.072 -2.300 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.293 -3.122 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.766 -2.363 4.649 1.00 0.00 H new ATOM 701 N LYS A 47 3.861 0.878 0.958 1.00 0.00 N ATOM 702 CA LYS A 47 4.198 2.189 0.431 1.00 0.00 C ATOM 703 C LYS A 47 3.071 2.672 -0.484 1.00 0.00 C ATOM 704 O LYS A 47 2.867 2.123 -1.566 1.00 0.00 O ATOM 705 CB LYS A 47 5.570 2.157 -0.247 1.00 0.00 C ATOM 706 CG LYS A 47 6.204 3.549 -0.266 1.00 0.00 C ATOM 707 CD LYS A 47 6.655 3.927 -1.679 1.00 0.00 C ATOM 708 CE LYS A 47 7.807 3.034 -2.144 1.00 0.00 C ATOM 709 NZ LYS A 47 9.082 3.785 -2.133 1.00 0.00 N ATOM 0 H LYS A 47 3.288 0.304 0.339 1.00 0.00 H new ATOM 0 HA LYS A 47 4.284 2.914 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.224 1.463 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.467 1.786 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.487 4.284 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.058 3.573 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.817 3.834 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.969 4.971 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.885 2.163 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.605 2.664 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.853 3.164 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.009 4.602 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.281 4.117 -1.168 1.00 0.00 H new ATOM 723 N ILE A 48 2.369 3.693 -0.016 1.00 0.00 N ATOM 724 CA ILE A 48 1.267 4.256 -0.778 1.00 0.00 C ATOM 725 C ILE A 48 1.788 5.402 -1.648 1.00 0.00 C ATOM 726 O ILE A 48 2.800 6.022 -1.323 1.00 0.00 O ATOM 727 CB ILE A 48 0.123 4.661 0.153 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.296 3.492 1.047 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.056 5.226 -0.642 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.370 3.923 2.513 1.00 0.00 C ATOM 0 H ILE A 48 2.542 4.145 0.882 1.00 0.00 H new ATOM 0 HA ILE A 48 0.848 3.508 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 48 0.480 5.455 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.266 3.113 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.416 2.674 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.856 5.506 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.731 6.105 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.422 4.470 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.670 3.074 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.608 4.278 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.101 4.724 2.620 1.00 0.00 H new ATOM 742 N TYR A 49 1.073 5.650 -2.735 1.00 0.00 N ATOM 743 CA TYR A 49 1.450 6.711 -3.653 1.00 0.00 C ATOM 744 C TYR A 49 0.235 7.222 -4.430 1.00 0.00 C ATOM 745 O TYR A 49 -0.176 6.614 -5.417 1.00 0.00 O ATOM 746 CB TYR A 49 2.442 6.085 -4.636 1.00 0.00 C ATOM 747 CG TYR A 49 3.909 6.339 -4.285 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.333 7.614 -3.971 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.809 5.292 -4.283 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.714 7.852 -3.641 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.190 5.531 -3.953 1.00 0.00 C ATOM 752 CZ TYR A 49 6.575 6.799 -3.648 1.00 0.00 C ATOM 753 OH TYR A 49 7.879 7.024 -3.336 1.00 0.00 O ATOM 0 H TYR A 49 0.234 5.134 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 49 1.875 7.555 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.269 5.009 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.245 6.476 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.629 8.433 -3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.477 4.294 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.059 8.845 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.904 4.721 -3.948 1.00 0.00 H new ATOM 0 HH TYR A 49 7.941 7.777 -2.712 1.00 0.00 H new ATOM 763 N PHE A 50 -0.307 8.333 -3.954 1.00 0.00 N ATOM 764 CA PHE A 50 -1.467 8.933 -4.591 1.00 0.00 C ATOM 765 C PHE A 50 -1.107 9.496 -5.968 1.00 0.00 C ATOM 766 O PHE A 50 -0.611 10.616 -6.074 1.00 0.00 O ATOM 767 CB PHE A 50 -1.929 10.080 -3.690 1.00 0.00 C ATOM 768 CG PHE A 50 -3.356 10.555 -3.971 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.414 9.781 -3.608 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.567 11.751 -4.582 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.739 10.222 -3.869 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.891 12.192 -4.842 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.949 11.418 -4.480 1.00 0.00 C ATOM 0 H PHE A 50 0.036 8.834 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.246 8.183 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.861 9.761 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.246 10.921 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.247 8.831 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.727 12.366 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.579 9.607 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.058 13.142 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.956 11.754 -4.678 1.00 0.00 H new ATOM 783 N LEU A 51 -1.371 8.692 -6.988 1.00 0.00 N ATOM 784 CA LEU A 51 -1.081 9.095 -8.353 1.00 0.00 C ATOM 785 C LEU A 51 -2.056 10.197 -8.773 1.00 0.00 C ATOM 786 O LEU A 51 -3.116 10.356 -8.169 1.00 0.00 O ATOM 787 CB LEU A 51 -1.087 7.881 -9.283 1.00 0.00 C ATOM 788 CG LEU A 51 0.259 7.182 -9.484 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.013 7.053 -8.159 1.00 0.00 C ATOM 790 CD2 LEU A 51 0.078 5.829 -10.175 1.00 0.00 C ATOM 0 H LEU A 51 -1.783 7.763 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.077 9.514 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.797 7.152 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.459 8.197 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 51 0.869 7.800 -10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.966 6.553 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.193 8.045 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.418 6.469 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.050 5.354 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.559 5.190 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.387 5.978 -11.150 1.00 0.00 H new ATOM 933 N ARG A 60 2.799 8.345 1.093 1.00 0.00 N ATOM 934 CA ARG A 60 2.483 7.812 2.407 1.00 0.00 C ATOM 935 C ARG A 60 3.027 6.389 2.547 1.00 0.00 C ATOM 936 O ARG A 60 2.670 5.504 1.770 1.00 0.00 O ATOM 937 CB ARG A 60 0.972 7.798 2.647 1.00 0.00 C ATOM 938 CG ARG A 60 0.444 9.213 2.892 1.00 0.00 C ATOM 939 CD ARG A 60 0.921 9.751 4.242 1.00 0.00 C ATOM 940 NE ARG A 60 0.345 11.093 4.485 1.00 0.00 N ATOM 941 CZ ARG A 60 0.196 11.638 5.700 1.00 0.00 C ATOM 942 NH1 ARG A 60 0.579 10.959 6.790 1.00 0.00 N ATOM 943 NH2 ARG A 60 -0.337 12.861 5.825 1.00 0.00 N ATOM 0 HA ARG A 60 2.951 8.459 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.467 7.361 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.742 7.166 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.781 9.874 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.646 9.208 2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.625 9.069 5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.010 9.805 4.257 1.00 0.00 H new ATOM 0 HE ARG A 60 0.043 11.637 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.984 10.028 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.466 11.374 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.629 13.377 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.450 13.276 6.750 1.00 0.00 H new ATOM 957 N ARG A 61 3.883 6.212 3.543 1.00 0.00 N ATOM 958 CA ARG A 61 4.480 4.911 3.794 1.00 0.00 C ATOM 959 C ARG A 61 4.371 4.555 5.278 1.00 0.00 C ATOM 960 O ARG A 61 4.574 5.408 6.142 1.00 0.00 O ATOM 961 CB ARG A 61 5.953 4.892 3.380 1.00 0.00 C ATOM 962 CG ARG A 61 6.572 3.514 3.621 1.00 0.00 C ATOM 963 CD ARG A 61 8.057 3.634 3.972 1.00 0.00 C ATOM 964 NE ARG A 61 8.839 3.960 2.759 1.00 0.00 N ATOM 965 CZ ARG A 61 10.095 4.428 2.778 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.718 4.627 3.948 1.00 0.00 N ATOM 967 NH2 ARG A 61 10.727 4.696 1.628 1.00 0.00 N ATOM 0 H ARG A 61 4.177 6.948 4.185 1.00 0.00 H new ATOM 0 HA ARG A 61 3.937 4.177 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.042 5.155 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.503 5.645 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.043 3.010 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.454 2.897 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.200 4.408 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.414 2.699 4.404 1.00 0.00 H new ATOM 0 HE ARG A 61 8.395 3.820 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.236 4.422 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.674 4.983 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.253 4.544 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.683 5.052 1.642 1.00 0.00 H new ATOM 981 N THR A 62 4.050 3.295 5.530 1.00 0.00 N ATOM 982 CA THR A 62 3.912 2.815 6.894 1.00 0.00 C ATOM 983 C THR A 62 5.284 2.486 7.486 1.00 0.00 C ATOM 984 O THR A 62 6.268 2.377 6.757 1.00 0.00 O ATOM 985 CB THR A 62 2.953 1.623 6.881 1.00 0.00 C ATOM 986 OG1 THR A 62 3.560 0.699 5.981 1.00 0.00 O ATOM 987 CG2 THR A 62 1.612 1.956 6.225 1.00 0.00 C ATOM 0 H THR A 62 3.881 2.591 4.812 1.00 0.00 H new ATOM 0 HA THR A 62 3.490 3.583 7.542 1.00 0.00 H new ATOM 0 HB THR A 62 2.782 1.284 7.903 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.677 -0.165 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.970 1.075 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.131 2.767 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.778 2.263 5.193 1.00 0.00 H new ATOM 995 N LYS A 63 5.304 2.337 8.802 1.00 0.00 N ATOM 996 CA LYS A 63 6.539 2.022 9.500 1.00 0.00 C ATOM 997 C LYS A 63 7.095 0.698 8.973 1.00 0.00 C ATOM 998 O LYS A 63 6.335 -0.212 8.646 1.00 0.00 O ATOM 999 CB LYS A 63 6.318 2.036 11.014 1.00 0.00 C ATOM 1000 CG LYS A 63 5.085 1.214 11.396 1.00 0.00 C ATOM 1001 CD LYS A 63 5.322 0.442 12.695 1.00 0.00 C ATOM 1002 CE LYS A 63 4.932 -1.030 12.537 1.00 0.00 C ATOM 1003 NZ LYS A 63 6.129 -1.895 12.628 1.00 0.00 N ATOM 0 H LYS A 63 4.485 2.428 9.403 1.00 0.00 H new ATOM 0 HA LYS A 63 7.292 2.785 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.197 1.634 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.196 3.063 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.225 1.874 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.845 0.517 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.372 0.515 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.741 0.891 13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.216 -1.308 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.439 -1.181 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.837 -2.870 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.640 -1.877 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.752 -1.547 13.384 1.00 0.00 H new ATOM 1017 N THR A 64 8.417 0.633 8.905 1.00 0.00 N ATOM 1018 CA THR A 64 9.083 -0.564 8.422 1.00 0.00 C ATOM 1019 C THR A 64 9.163 -1.614 9.533 1.00 0.00 C ATOM 1020 O THR A 64 9.871 -1.426 10.521 1.00 0.00 O ATOM 1021 CB THR A 64 10.452 -0.155 7.874 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.148 0.542 6.668 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.280 -1.356 7.411 1.00 0.00 C ATOM 0 H THR A 64 9.044 1.390 9.176 1.00 0.00 H new ATOM 0 HA THR A 64 8.520 -1.032 7.614 1.00 0.00 H new ATOM 0 HB THR A 64 11.002 0.391 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.979 0.845 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.242 -1.010 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.443 -2.031 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.746 -1.883 6.620 1.00 0.00 H new ATOM 1031 N VAL A 65 8.428 -2.698 9.332 1.00 0.00 N ATOM 1032 CA VAL A 65 8.406 -3.778 10.304 1.00 0.00 C ATOM 1033 C VAL A 65 9.659 -4.639 10.131 1.00 0.00 C ATOM 1034 O VAL A 65 10.135 -4.831 9.013 1.00 0.00 O ATOM 1035 CB VAL A 65 7.108 -4.577 10.170 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.703 -5.194 11.510 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.984 -3.706 9.604 1.00 0.00 C ATOM 0 H VAL A 65 7.843 -2.852 8.510 1.00 0.00 H new ATOM 0 HA VAL A 65 8.423 -3.379 11.318 1.00 0.00 H new ATOM 0 HB VAL A 65 7.286 -5.391 9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.777 -5.756 11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.491 -5.863 11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.552 -4.403 12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.073 -4.298 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.807 -2.862 10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.270 -3.337 8.619 1.00 0.00 H new ATOM 1047 N LYS A 66 10.158 -5.135 11.254 1.00 0.00 N ATOM 1048 CA LYS A 66 11.346 -5.971 11.240 1.00 0.00 C ATOM 1049 C LYS A 66 10.988 -7.367 11.751 1.00 0.00 C ATOM 1050 O LYS A 66 10.378 -7.507 12.810 1.00 0.00 O ATOM 1051 CB LYS A 66 12.480 -5.303 12.020 1.00 0.00 C ATOM 1052 CG LYS A 66 12.760 -3.897 11.485 1.00 0.00 C ATOM 1053 CD LYS A 66 14.116 -3.838 10.779 1.00 0.00 C ATOM 1054 CE LYS A 66 14.801 -2.491 11.020 1.00 0.00 C ATOM 1055 NZ LYS A 66 15.218 -2.367 12.434 1.00 0.00 N ATOM 0 H LYS A 66 9.761 -4.974 12.180 1.00 0.00 H new ATOM 0 HA LYS A 66 11.717 -6.089 10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.217 -5.248 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.383 -5.910 11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.972 -3.605 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.743 -3.181 12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.754 -4.644 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.980 -3.995 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.670 -2.397 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.121 -1.679 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.024 -1.713 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.426 -2.000 12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.498 -3.301 12.797 1.00 0.00 H new ATOM 1069 N LYS A 67 11.382 -8.366 10.975 1.00 0.00 N ATOM 1070 CA LYS A 67 11.109 -9.747 11.336 1.00 0.00 C ATOM 1071 C LYS A 67 9.624 -9.899 11.668 1.00 0.00 C ATOM 1072 O LYS A 67 9.228 -9.782 12.827 1.00 0.00 O ATOM 1073 CB LYS A 67 12.041 -10.200 12.462 1.00 0.00 C ATOM 1074 CG LYS A 67 13.451 -10.471 11.932 1.00 0.00 C ATOM 1075 CD LYS A 67 14.510 -10.074 12.962 1.00 0.00 C ATOM 1076 CE LYS A 67 14.467 -11.003 14.177 1.00 0.00 C ATOM 1077 NZ LYS A 67 14.995 -10.314 15.376 1.00 0.00 N ATOM 0 H LYS A 67 11.888 -8.247 10.098 1.00 0.00 H new ATOM 0 HA LYS A 67 11.317 -10.409 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.081 -9.434 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.644 -11.102 12.927 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.555 -11.528 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.610 -9.914 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.499 -10.112 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.345 -9.045 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.442 -11.327 14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.054 -11.900 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.959 -10.959 16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.980 -10.027 15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.418 -9.472 15.575 1.00 0.00 H new ATOM 1091 N THR A 68 8.841 -10.158 10.631 1.00 0.00 N ATOM 1092 CA THR A 68 7.408 -10.328 10.798 1.00 0.00 C ATOM 1093 C THR A 68 6.752 -10.673 9.460 1.00 0.00 C ATOM 1094 O THR A 68 6.725 -9.849 8.547 1.00 0.00 O ATOM 1095 CB THR A 68 6.852 -9.053 11.436 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.782 -9.514 12.256 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.173 -8.136 10.417 1.00 0.00 C ATOM 0 H THR A 68 9.173 -10.254 9.671 1.00 0.00 H new ATOM 0 HA THR A 68 7.184 -11.165 11.459 1.00 0.00 H new ATOM 0 HB THR A 68 7.660 -8.512 11.929 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.365 -8.752 12.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.796 -7.247 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.894 -7.842 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.344 -8.665 9.947 1.00 0.00 H new ATOM 1105 N LEU A 69 6.239 -11.893 9.386 1.00 0.00 N ATOM 1106 CA LEU A 69 5.585 -12.357 8.174 1.00 0.00 C ATOM 1107 C LEU A 69 4.206 -11.703 8.062 1.00 0.00 C ATOM 1108 O LEU A 69 3.624 -11.656 6.979 1.00 0.00 O ATOM 1109 CB LEU A 69 5.545 -13.886 8.139 1.00 0.00 C ATOM 1110 CG LEU A 69 6.865 -14.584 7.802 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.784 -16.082 8.100 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.277 -14.308 6.355 1.00 0.00 C ATOM 0 H LEU A 69 6.263 -12.574 10.145 1.00 0.00 H new ATOM 0 HA LEU A 69 6.154 -12.056 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.206 -14.243 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.797 -14.194 7.408 1.00 0.00 H new ATOM 0 HG LEU A 69 7.644 -14.170 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.735 -16.554 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.570 -16.231 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.990 -16.529 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.218 -14.815 6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.505 -14.677 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.403 -13.235 6.211 1.00 0.00 H new ATOM 1124 N GLU A 70 3.723 -11.216 9.195 1.00 0.00 N ATOM 1125 CA GLU A 70 2.424 -10.567 9.237 1.00 0.00 C ATOM 1126 C GLU A 70 2.532 -9.208 9.931 1.00 0.00 C ATOM 1127 O GLU A 70 2.352 -9.110 11.144 1.00 0.00 O ATOM 1128 CB GLU A 70 1.390 -11.456 9.931 1.00 0.00 C ATOM 1129 CG GLU A 70 0.398 -12.035 8.919 1.00 0.00 C ATOM 1130 CD GLU A 70 0.789 -13.460 8.523 1.00 0.00 C ATOM 1131 OE1 GLU A 70 1.990 -13.662 8.243 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.123 -14.315 8.508 1.00 0.00 O ATOM 0 H GLU A 70 4.208 -11.258 10.091 1.00 0.00 H new ATOM 0 HA GLU A 70 2.087 -10.405 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.896 -12.267 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.853 -10.877 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.605 -12.034 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.367 -11.403 8.032 1.00 0.00 H new ATOM 1139 N PRO A 71 2.833 -8.166 9.111 1.00 0.00 N ATOM 1140 CA PRO A 71 2.967 -6.816 9.633 1.00 0.00 C ATOM 1141 C PRO A 71 1.597 -6.214 9.953 1.00 0.00 C ATOM 1142 O PRO A 71 0.610 -6.517 9.284 1.00 0.00 O ATOM 1143 CB PRO A 71 3.716 -6.050 8.555 1.00 0.00 C ATOM 1144 CG PRO A 71 3.565 -6.867 7.282 1.00 0.00 C ATOM 1145 CD PRO A 71 3.053 -8.244 7.670 1.00 0.00 C ATOM 0 HA PRO A 71 3.511 -6.782 10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.303 -5.049 8.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.767 -5.930 8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.871 -6.381 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.521 -6.947 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.131 -8.487 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.777 -9.020 7.422 1.00 0.00 H new ATOM 1153 N LYS A 72 1.581 -5.371 10.975 1.00 0.00 N ATOM 1154 CA LYS A 72 0.349 -4.724 11.392 1.00 0.00 C ATOM 1155 C LYS A 72 0.607 -3.230 11.597 1.00 0.00 C ATOM 1156 O LYS A 72 1.044 -2.813 12.668 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.234 -5.421 12.622 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.656 -6.854 12.292 1.00 0.00 C ATOM 1159 CD LYS A 72 -1.905 -7.254 13.080 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.926 -8.760 13.348 1.00 0.00 C ATOM 1161 NZ LYS A 72 -3.228 -9.339 12.950 1.00 0.00 N ATOM 0 H LYS A 72 2.402 -5.121 11.527 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.410 -4.814 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.505 -5.431 13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.094 -4.860 12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.852 -6.942 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.159 -7.539 12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.932 -6.712 14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.797 -6.968 12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.121 -9.245 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.745 -8.950 14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.225 -10.362 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.990 -8.888 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.385 -9.175 11.935 1.00 0.00 H new ATOM 1175 N TRP A 73 0.327 -2.464 10.552 1.00 0.00 N ATOM 1176 CA TRP A 73 0.523 -1.026 10.604 1.00 0.00 C ATOM 1177 C TRP A 73 -0.759 -0.392 11.147 1.00 0.00 C ATOM 1178 O TRP A 73 -0.705 0.513 11.978 1.00 0.00 O ATOM 1179 CB TRP A 73 0.926 -0.477 9.234 1.00 0.00 C ATOM 1180 CG TRP A 73 1.944 -1.346 8.491 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.280 -1.317 8.587 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.650 -2.380 7.528 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.867 -2.253 7.760 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.844 -2.920 7.096 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.417 -2.845 7.039 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 2.923 -3.953 6.154 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.512 -3.877 6.098 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.706 -4.431 5.652 1.00 0.00 C ATOM 0 H TRP A 73 -0.034 -2.813 9.664 1.00 0.00 H new ATOM 0 HA TRP A 73 1.346 -0.774 11.273 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.033 -0.374 8.618 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.341 0.523 9.362 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.829 -0.645 9.231 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.867 -2.424 7.655 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.529 -2.438 7.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.871 -4.359 5.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.407 -4.270 5.690 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.695 -5.227 4.922 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.883 -0.894 10.656 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.177 -0.388 11.082 1.00 0.00 C ATOM 1201 C ASN A 74 -3.094 1.129 11.259 1.00 0.00 C ATOM 1202 O ASN A 74 -3.705 1.685 12.171 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.593 -0.999 12.421 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.841 -1.870 12.263 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.809 -2.949 11.694 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.940 -1.343 12.796 1.00 0.00 N ATOM 0 H ASN A 74 -1.924 -1.646 9.968 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.910 -0.654 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.775 -1.599 12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.788 -0.205 13.142 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.825 -1.847 12.742 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.898 -0.435 13.259 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.333 1.755 10.374 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.162 3.198 10.422 1.00 0.00 C ATOM 1215 C GLN A 75 -3.261 3.889 9.612 1.00 0.00 C ATOM 1216 O GLN A 75 -4.122 3.227 9.035 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.775 3.602 9.920 1.00 0.00 C ATOM 1218 CG GLN A 75 0.298 3.296 10.967 1.00 0.00 C ATOM 1219 CD GLN A 75 0.942 4.583 11.485 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.389 5.300 12.303 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.140 4.836 10.964 1.00 0.00 N ATOM 0 H GLN A 75 -1.828 1.290 9.620 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.245 3.521 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.549 3.069 8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.765 4.666 9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.146 2.747 11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.062 2.652 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.546 4.194 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.652 5.672 11.245 1.00 0.00 H new ATOM 1230 N THR A 76 -3.196 5.213 9.596 1.00 0.00 N ATOM 1231 CA THR A 76 -4.175 6.001 8.867 1.00 0.00 C ATOM 1232 C THR A 76 -3.476 7.053 8.004 1.00 0.00 C ATOM 1233 O THR A 76 -2.404 7.541 8.359 1.00 0.00 O ATOM 1234 CB THR A 76 -5.151 6.600 9.883 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.111 5.568 10.091 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.966 7.755 9.300 1.00 0.00 C ATOM 0 H THR A 76 -2.481 5.759 10.076 1.00 0.00 H new ATOM 0 HA THR A 76 -4.744 5.382 8.173 1.00 0.00 H new ATOM 0 HB THR A 76 -4.599 6.950 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.327 5.145 9.234 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.642 8.144 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.292 8.548 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.545 7.398 8.448 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.111 7.371 6.885 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.564 8.356 5.968 1.00 0.00 C ATOM 1246 C PHE A 77 -4.680 9.148 5.283 1.00 0.00 C ATOM 1247 O PHE A 77 -5.449 8.593 4.501 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.774 7.588 4.906 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.568 6.825 5.458 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.650 7.469 6.227 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.415 5.502 5.179 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.469 6.760 6.739 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.296 4.794 5.692 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.622 5.438 6.461 1.00 0.00 C ATOM 0 H PHE A 77 -4.999 6.964 6.593 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.936 9.062 6.512 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.441 6.883 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.430 8.289 4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.772 8.519 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.144 4.991 4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.199 7.271 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.174 3.744 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.473 4.899 6.851 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.732 10.433 5.603 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.741 11.306 5.029 1.00 0.00 C ATOM 1266 C ILE A 78 -5.147 12.043 3.827 1.00 0.00 C ATOM 1267 O ILE A 78 -4.114 12.701 3.946 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.316 12.237 6.098 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.266 11.481 7.029 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -6.986 13.456 5.462 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.424 12.213 8.364 1.00 0.00 C ATOM 0 H ILE A 78 -4.092 10.890 6.252 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.585 10.722 4.661 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.492 12.606 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.240 11.374 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.885 10.475 7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.386 14.101 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.253 14.009 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.797 13.128 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.104 11.654 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.452 12.297 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.828 13.210 8.187 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.825 11.909 2.696 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.376 12.554 1.474 1.00 0.00 C ATOM 1285 C TYR A 79 -6.427 13.539 0.957 1.00 0.00 C ATOM 1286 O TYR A 79 -7.507 13.133 0.532 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.196 11.434 0.448 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.749 10.965 0.286 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.742 11.888 0.090 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.450 9.618 0.337 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.380 11.446 -0.061 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.088 9.177 0.186 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.120 10.113 -0.006 1.00 0.00 C ATOM 1294 OH TYR A 79 0.167 9.695 -0.149 1.00 0.00 O ATOM 0 H TYR A 79 -6.682 11.363 2.601 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.456 13.112 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.812 10.584 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.566 11.777 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.975 12.942 0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.238 8.895 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.583 12.158 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.840 8.126 0.224 1.00 0.00 H new ATOM 0 HH TYR A 79 0.202 8.718 -0.087 1.00 0.00 H new ATOM 1304 N SER A 80 -6.073 14.815 1.011 1.00 0.00 N ATOM 1305 CA SER A 80 -6.972 15.861 0.554 1.00 0.00 C ATOM 1306 C SER A 80 -6.169 17.010 -0.060 1.00 0.00 C ATOM 1307 O SER A 80 -4.969 17.132 0.182 1.00 0.00 O ATOM 1308 CB SER A 80 -7.846 16.376 1.699 1.00 0.00 C ATOM 1309 OG SER A 80 -7.510 17.711 2.067 1.00 0.00 O ATOM 0 H SER A 80 -5.176 15.148 1.364 1.00 0.00 H new ATOM 0 HA SER A 80 -7.629 15.439 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.894 16.334 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.733 15.722 2.564 1.00 0.00 H new ATOM 0 HG SER A 80 -8.091 18.004 2.800 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.881 17.844 -0.863 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.299 17.629 -1.097 1.00 0.00 C ATOM 1317 C PRO A 81 -8.525 16.458 -2.055 1.00 0.00 C ATOM 1318 O PRO A 81 -7.775 16.283 -3.015 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.814 18.951 -1.642 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.588 19.706 -2.130 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.358 19.012 -1.567 1.00 0.00 C ATOM 0 HA PRO A 81 -8.837 17.351 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.522 18.789 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.338 19.514 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.555 19.717 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.624 20.745 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.670 18.721 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.808 19.667 -0.892 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.561 15.686 -1.762 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.895 14.537 -2.587 1.00 0.00 C ATOM 1331 C VAL A 82 -11.391 14.559 -2.904 1.00 0.00 C ATOM 1332 O VAL A 82 -12.220 14.351 -2.019 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.450 13.248 -1.892 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.193 12.036 -2.458 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.935 13.062 -2.000 1.00 0.00 C ATOM 0 H VAL A 82 -10.180 15.833 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.361 14.580 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.703 13.332 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.858 11.133 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.265 12.163 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.986 11.948 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.645 12.139 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.649 13.009 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.430 13.905 -1.528 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.692 14.814 -4.169 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.074 14.866 -4.613 1.00 0.00 C ATOM 1347 C HIS A 83 -13.516 13.478 -5.081 1.00 0.00 C ATOM 1348 O HIS A 83 -12.682 12.612 -5.341 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.259 15.940 -5.687 1.00 0.00 C ATOM 1350 CG HIS A 83 -12.513 17.223 -5.407 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -12.459 18.271 -6.309 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -11.793 17.616 -4.317 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -11.735 19.244 -5.777 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -11.323 18.836 -4.542 1.00 0.00 N ATOM 0 H HIS A 83 -11.002 14.987 -4.900 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.716 15.152 -3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.928 15.541 -6.646 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.321 16.163 -5.784 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -12.902 18.291 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.633 17.033 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.510 20.194 -6.240 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.827 13.309 -5.175 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.389 12.041 -5.608 1.00 0.00 C ATOM 1364 C ARG A 84 -15.200 11.863 -7.115 1.00 0.00 C ATOM 1365 O ARG A 84 -15.067 10.741 -7.600 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.880 11.958 -5.274 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.380 10.514 -5.356 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.656 9.625 -4.342 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.379 8.343 -4.186 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.536 8.209 -3.523 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.107 9.277 -2.949 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -19.120 7.007 -3.432 1.00 0.00 N ATOM 0 H ARG A 84 -15.516 14.029 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.864 11.247 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.054 12.351 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.447 12.583 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.453 10.486 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.222 10.127 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.635 9.438 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.591 10.134 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.971 7.509 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -18.661 10.192 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -19.988 9.175 -2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.684 6.194 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.001 6.905 -2.927 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.193 12.988 -7.816 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.023 12.971 -9.258 1.00 0.00 C ATOM 1388 C ARG A 85 -13.536 12.935 -9.617 1.00 0.00 C ATOM 1389 O ARG A 85 -13.173 12.612 -10.747 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.667 14.199 -9.904 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.153 15.489 -9.262 1.00 0.00 C ATOM 1392 CD ARG A 85 -16.300 16.284 -8.635 1.00 0.00 C ATOM 1393 NE ARG A 85 -15.790 17.118 -7.523 1.00 0.00 N ATOM 1394 CZ ARG A 85 -16.568 17.679 -6.587 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -17.895 17.500 -6.624 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -16.018 18.420 -5.616 1.00 0.00 N ATOM 0 H ARG A 85 -15.303 13.918 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.514 12.075 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.450 14.208 -10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.751 14.143 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.412 15.250 -8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.651 16.099 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.770 16.916 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.067 15.603 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.784 17.275 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.313 16.937 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.487 17.927 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.008 18.557 -5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.610 18.847 -4.903 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.715 13.273 -8.633 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.275 13.283 -8.830 1.00 0.00 C ATOM 1412 C GLU A 86 -10.723 11.857 -8.788 1.00 0.00 C ATOM 1413 O GLU A 86 -9.553 11.632 -9.093 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.586 14.169 -7.791 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.685 15.647 -8.177 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.301 16.233 -8.463 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.760 15.908 -9.542 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -8.816 16.992 -7.597 1.00 0.00 O ATOM 0 H GLU A 86 -13.019 13.542 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.065 13.703 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.044 14.013 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.538 13.882 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.319 15.755 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.161 16.206 -7.371 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.591 10.932 -8.407 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.204 9.533 -8.321 1.00 0.00 C ATOM 1427 C PHE A 87 -10.745 9.007 -9.682 1.00 0.00 C ATOM 1428 O PHE A 87 -9.637 8.488 -9.809 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.444 8.753 -7.878 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.658 8.734 -6.363 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.952 9.581 -5.566 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.553 7.871 -5.814 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.151 9.563 -4.160 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.752 7.853 -4.408 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.047 8.699 -3.611 1.00 0.00 C ATOM 0 H PHE A 87 -12.561 11.123 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.378 9.417 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.323 9.188 -8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.362 7.727 -8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.241 10.267 -6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.113 7.199 -6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.591 10.235 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.463 7.167 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.198 8.685 -2.542 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.619 9.158 -10.666 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.317 8.705 -12.013 1.00 0.00 C ATOM 1447 C ARG A 88 -10.098 9.447 -12.562 1.00 0.00 C ATOM 1448 O ARG A 88 -9.514 9.035 -13.563 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.507 8.928 -12.949 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.900 10.406 -12.992 1.00 0.00 C ATOM 1451 CD ARG A 88 -14.230 10.598 -13.725 1.00 0.00 C ATOM 1452 NE ARG A 88 -14.011 10.557 -15.188 1.00 0.00 N ATOM 1453 CZ ARG A 88 -13.577 11.598 -15.912 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -13.313 12.767 -15.313 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -13.408 11.470 -17.235 1.00 0.00 N ATOM 0 H ARG A 88 -12.537 9.588 -10.557 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.104 7.637 -11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.254 8.586 -13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.355 8.332 -12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.981 10.794 -11.977 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.119 10.979 -13.492 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.932 9.818 -13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.676 11.551 -13.442 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.202 9.682 -15.676 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.442 12.865 -14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.983 13.559 -15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.610 10.580 -17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.078 12.262 -17.786 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.749 10.530 -11.883 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.609 11.334 -12.290 1.00 0.00 C ATOM 1471 C GLU A 89 -7.404 11.038 -11.395 1.00 0.00 C ATOM 1472 O GLU A 89 -6.273 11.381 -11.738 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.954 12.825 -12.270 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.161 13.120 -13.163 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.562 14.594 -13.073 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.892 15.406 -13.747 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.529 14.875 -12.332 1.00 0.00 O ATOM 0 H GLU A 89 -10.236 10.870 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.350 11.069 -13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.168 13.139 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.096 13.405 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.924 12.866 -14.196 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.001 12.492 -12.865 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.686 10.405 -10.266 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.639 10.059 -9.320 1.00 0.00 C ATOM 1486 C ARG A 90 -6.808 8.614 -8.846 1.00 0.00 C ATOM 1487 O ARG A 90 -7.822 8.270 -8.240 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.663 10.992 -8.108 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.607 12.091 -8.241 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.201 13.348 -8.880 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.118 14.212 -9.401 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.311 15.223 -10.259 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.545 15.504 -10.697 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.268 15.953 -10.679 1.00 0.00 N ATOM 0 H ARG A 90 -8.625 10.123 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.682 10.168 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.651 11.442 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.483 10.418 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.204 12.334 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.775 11.730 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.876 13.070 -9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.792 13.895 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.165 14.026 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.338 14.948 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.691 16.274 -11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.328 15.739 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.414 16.723 -11.332 1.00 0.00 H new ATOM 1508 N MET A 91 -5.799 7.807 -9.140 1.00 0.00 N ATOM 1509 CA MET A 91 -5.823 6.407 -8.752 1.00 0.00 C ATOM 1510 C MET A 91 -4.711 6.098 -7.748 1.00 0.00 C ATOM 1511 O MET A 91 -3.642 6.705 -7.793 1.00 0.00 O ATOM 1512 CB MET A 91 -5.649 5.530 -9.994 1.00 0.00 C ATOM 1513 CG MET A 91 -5.039 4.176 -9.626 1.00 0.00 C ATOM 1514 SD MET A 91 -4.772 3.206 -11.101 1.00 0.00 S ATOM 1515 CE MET A 91 -4.977 1.563 -10.434 1.00 0.00 C ATOM 0 H MET A 91 -4.960 8.096 -9.642 1.00 0.00 H new ATOM 0 HA MET A 91 -6.782 6.196 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.615 5.379 -10.476 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.009 6.038 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 91 -4.095 4.324 -9.102 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.702 3.642 -8.945 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.721 0.827 -11.196 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.323 1.436 -9.572 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.013 1.422 -10.127 1.00 0.00 H new ATOM 1525 N LEU A 92 -5.002 5.154 -6.865 1.00 0.00 N ATOM 1526 CA LEU A 92 -4.040 4.756 -5.851 1.00 0.00 C ATOM 1527 C LEU A 92 -3.215 3.576 -6.370 1.00 0.00 C ATOM 1528 O LEU A 92 -3.690 2.799 -7.197 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.746 4.475 -4.523 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.897 5.669 -3.578 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.927 5.376 -2.485 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.544 6.082 -2.995 1.00 0.00 C ATOM 0 H LEU A 92 -5.890 4.653 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.342 5.569 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.739 4.080 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.197 3.691 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.271 6.515 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.015 6.240 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.894 5.168 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.606 4.510 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.680 6.933 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.118 5.248 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.869 6.360 -3.804 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.995 3.480 -5.864 1.00 0.00 N ATOM 1545 CA GLU A 93 -1.100 2.408 -6.267 1.00 0.00 C ATOM 1546 C GLU A 93 -0.235 1.967 -5.085 1.00 0.00 C ATOM 1547 O GLU A 93 0.826 2.539 -4.839 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.232 2.835 -7.452 1.00 0.00 C ATOM 1549 CG GLU A 93 1.002 1.939 -7.579 1.00 0.00 C ATOM 1550 CD GLU A 93 1.645 2.083 -8.960 1.00 0.00 C ATOM 1551 OE1 GLU A 93 0.878 2.304 -9.922 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.888 1.970 -9.022 1.00 0.00 O ATOM 0 H GLU A 93 -1.605 4.127 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.703 1.559 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.816 2.788 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.079 3.872 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.726 2.200 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.720 0.900 -7.412 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.720 0.952 -4.384 1.00 0.00 N ATOM 1560 CA ILE A 94 -0.004 0.428 -3.233 1.00 0.00 C ATOM 1561 C ILE A 94 0.906 -0.717 -3.683 1.00 0.00 C ATOM 1562 O ILE A 94 0.576 -1.447 -4.617 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.984 0.035 -2.126 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.047 1.118 -1.926 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.243 -0.287 -0.827 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.179 0.969 -2.944 1.00 0.00 C ATOM 0 H ILE A 94 -1.600 0.479 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 94 0.638 1.196 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.502 -0.873 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.451 1.054 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.591 2.103 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.963 -0.563 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.444 -1.116 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.318 0.589 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.921 1.751 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.775 1.058 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.649 -0.008 -2.826 1.00 0.00 H new ATOM 1578 N THR A 95 2.033 -0.839 -2.998 1.00 0.00 N ATOM 1579 CA THR A 95 2.993 -1.882 -3.315 1.00 0.00 C ATOM 1580 C THR A 95 3.709 -2.351 -2.047 1.00 0.00 C ATOM 1581 O THR A 95 4.097 -1.536 -1.211 1.00 0.00 O ATOM 1582 CB THR A 95 3.944 -1.341 -4.385 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.009 0.057 -4.116 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.349 -1.423 -5.792 1.00 0.00 C ATOM 0 H THR A 95 2.303 -0.232 -2.224 1.00 0.00 H new ATOM 0 HA THR A 95 2.498 -2.766 -3.717 1.00 0.00 H new ATOM 0 HB THR A 95 4.880 -1.898 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.607 0.487 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.064 -1.027 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.128 -2.463 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.430 -0.838 -5.833 1.00 0.00 H new ATOM 1592 N LEU A 96 3.863 -3.663 -1.943 1.00 0.00 N ATOM 1593 CA LEU A 96 4.525 -4.251 -0.791 1.00 0.00 C ATOM 1594 C LEU A 96 5.940 -4.678 -1.186 1.00 0.00 C ATOM 1595 O LEU A 96 6.135 -5.316 -2.220 1.00 0.00 O ATOM 1596 CB LEU A 96 3.680 -5.385 -0.208 1.00 0.00 C ATOM 1597 CG LEU A 96 4.111 -5.904 1.165 1.00 0.00 C ATOM 1598 CD1 LEU A 96 3.895 -4.843 2.246 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.403 -7.218 1.502 1.00 0.00 C ATOM 0 H LEU A 96 3.540 -4.336 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 96 4.624 -3.516 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.647 -5.043 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.692 -6.219 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 96 5.180 -6.114 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.210 -5.238 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.483 -3.956 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.839 -4.577 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.727 -7.565 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.325 -7.058 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.652 -7.968 0.751 1.00 0.00 H new ATOM 1611 N TRP A 97 6.892 -4.311 -0.341 1.00 0.00 N ATOM 1612 CA TRP A 97 8.284 -4.648 -0.588 1.00 0.00 C ATOM 1613 C TRP A 97 8.916 -5.053 0.745 1.00 0.00 C ATOM 1614 O TRP A 97 8.307 -4.888 1.801 1.00 0.00 O ATOM 1615 CB TRP A 97 9.016 -3.491 -1.270 1.00 0.00 C ATOM 1616 CG TRP A 97 8.111 -2.597 -2.121 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.040 -1.896 -1.728 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.244 -2.336 -3.534 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.474 -1.204 -2.779 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.230 -1.481 -3.913 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.190 -2.807 -4.462 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.064 -1.021 -5.225 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.010 -2.339 -5.769 1.00 0.00 C ATOM 1624 CH2 TRP A 97 7.995 -1.478 -6.166 1.00 0.00 C ATOM 0 H TRP A 97 6.727 -3.783 0.516 1.00 0.00 H new ATOM 0 HA TRP A 97 8.361 -5.488 -1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.499 -2.880 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.806 -3.897 -1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.666 -1.875 -0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.653 -0.601 -2.733 1.00 0.00 H new ATOM 0 HE3 TRP A 97 9.992 -3.477 -4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.262 -0.351 -5.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.710 -2.671 -6.522 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.924 -1.162 -7.196 1.00 0.00 H new ATOM 1635 N ASP A 98 10.131 -5.575 0.653 1.00 0.00 N ATOM 1636 CA ASP A 98 10.852 -6.005 1.839 1.00 0.00 C ATOM 1637 C ASP A 98 12.178 -5.246 1.926 1.00 0.00 C ATOM 1638 O ASP A 98 13.011 -5.339 1.025 1.00 0.00 O ATOM 1639 CB ASP A 98 11.166 -7.501 1.781 1.00 0.00 C ATOM 1640 CG ASP A 98 12.283 -7.964 2.718 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.537 -7.236 3.701 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.858 -9.037 2.430 1.00 0.00 O ATOM 0 H ASP A 98 10.634 -5.710 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 98 10.225 -5.802 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.259 -8.057 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.440 -7.760 0.758 1.00 0.00 H new ATOM 1647 N GLN A 99 12.333 -4.514 3.019 1.00 0.00 N ATOM 1648 CA GLN A 99 13.543 -3.740 3.236 1.00 0.00 C ATOM 1649 C GLN A 99 14.729 -4.671 3.499 1.00 0.00 C ATOM 1650 O GLN A 99 15.087 -4.916 4.649 1.00 0.00 O ATOM 1651 CB GLN A 99 13.361 -2.747 4.386 1.00 0.00 C ATOM 1652 CG GLN A 99 13.971 -1.388 4.038 1.00 0.00 C ATOM 1653 CD GLN A 99 15.156 -1.069 4.952 1.00 0.00 C ATOM 1654 OE1 GLN A 99 15.727 -1.933 5.595 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.492 0.218 4.972 1.00 0.00 N ATOM 0 H GLN A 99 11.640 -4.441 3.764 1.00 0.00 H new ATOM 0 HA GLN A 99 13.750 -3.166 2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.300 -2.628 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.830 -3.140 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.299 -1.388 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.214 -0.610 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.971 0.890 4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.271 0.533 5.551 1.00 0.00 H new ATOM 1809 N PHE A 109 10.508 -6.383 -4.016 1.00 0.00 N ATOM 1810 CA PHE A 109 9.133 -6.232 -4.463 1.00 0.00 C ATOM 1811 C PHE A 109 8.337 -7.517 -4.226 1.00 0.00 C ATOM 1812 O PHE A 109 8.468 -8.481 -4.980 1.00 0.00 O ATOM 1813 CB PHE A 109 9.179 -5.944 -5.965 1.00 0.00 C ATOM 1814 CG PHE A 109 7.803 -5.878 -6.628 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.951 -4.861 -6.328 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.430 -6.837 -7.518 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.673 -4.800 -6.944 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.152 -6.775 -8.134 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.301 -5.758 -7.834 1.00 0.00 C ATOM 0 HA PHE A 109 8.648 -5.428 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.695 -4.998 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.770 -6.718 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.247 -4.100 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.106 -7.645 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.997 -3.993 -6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.856 -7.536 -8.841 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.329 -5.711 -8.303 1.00 0.00 H new ATOM 1829 N LEU A 110 7.528 -7.490 -3.177 1.00 0.00 N ATOM 1830 CA LEU A 110 6.710 -8.640 -2.832 1.00 0.00 C ATOM 1831 C LEU A 110 5.521 -8.721 -3.791 1.00 0.00 C ATOM 1832 O LEU A 110 5.043 -9.811 -4.102 1.00 0.00 O ATOM 1833 CB LEU A 110 6.308 -8.588 -1.357 1.00 0.00 C ATOM 1834 CG LEU A 110 7.439 -8.789 -0.346 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.908 -8.738 1.088 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.203 -10.084 -0.628 1.00 0.00 C ATOM 0 H LEU A 110 7.422 -6.689 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 110 7.279 -9.562 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.841 -7.623 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.550 -9.351 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 110 8.146 -7.967 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.732 -8.884 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.445 -7.768 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.168 -9.526 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.001 -10.203 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.520 -10.931 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.633 -10.042 -1.629 1.00 0.00 H new ATOM 1848 N GLY A 111 5.077 -7.553 -4.233 1.00 0.00 N ATOM 1849 CA GLY A 111 3.953 -7.478 -5.150 1.00 0.00 C ATOM 1850 C GLY A 111 3.478 -6.033 -5.318 1.00 0.00 C ATOM 1851 O GLY A 111 4.159 -5.099 -4.898 1.00 0.00 O ATOM 0 H GLY A 111 5.476 -6.651 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.242 -7.885 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.134 -8.093 -4.778 1.00 0.00 H new ATOM 1855 N GLU A 112 2.311 -5.895 -5.931 1.00 0.00 N ATOM 1856 CA GLU A 112 1.737 -4.580 -6.159 1.00 0.00 C ATOM 1857 C GLU A 112 0.212 -4.641 -6.051 1.00 0.00 C ATOM 1858 O GLU A 112 -0.403 -5.632 -6.444 1.00 0.00 O ATOM 1859 CB GLU A 112 2.168 -4.021 -7.516 1.00 0.00 C ATOM 1860 CG GLU A 112 1.423 -4.717 -8.658 1.00 0.00 C ATOM 1861 CD GLU A 112 2.325 -4.878 -9.883 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.198 -4.002 -10.064 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.120 -5.873 -10.612 1.00 0.00 O ATOM 0 H GLU A 112 1.748 -6.672 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 112 2.110 -3.904 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.973 -2.949 -7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.242 -4.154 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.075 -5.696 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.539 -4.138 -8.926 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.355 -3.570 -5.515 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.796 -3.490 -5.351 1.00 0.00 C ATOM 1872 C ILE A 113 -2.301 -2.176 -5.952 1.00 0.00 C ATOM 1873 O ILE A 113 -2.063 -1.104 -5.398 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.179 -3.681 -3.882 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.688 -5.032 -3.359 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.685 -3.501 -3.679 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -1.859 -5.128 -1.841 1.00 0.00 C ATOM 0 H ILE A 113 0.158 -2.751 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.287 -4.299 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.681 -2.908 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.242 -5.836 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.638 -5.167 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -3.930 -3.642 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.976 -2.497 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.223 -4.235 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.502 -6.098 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.284 -4.337 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.913 -5.017 -1.586 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.990 -2.304 -7.077 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.530 -1.140 -7.759 1.00 0.00 C ATOM 1891 C LEU A 114 -5.029 -1.035 -7.468 1.00 0.00 C ATOM 1892 O LEU A 114 -5.761 -2.014 -7.600 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.195 -1.190 -9.251 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.841 -0.604 -9.654 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.006 0.792 -10.258 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.869 -0.605 -8.473 1.00 0.00 C ATOM 0 H LEU A 114 -3.186 -3.195 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.067 -0.228 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.230 -2.230 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.975 -0.659 -9.796 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.410 -1.241 -10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.028 1.186 -10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.639 0.733 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.469 1.453 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.086 -0.183 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.281 -0.005 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.718 -1.628 -8.127 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.440 0.163 -7.078 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.838 0.409 -6.767 1.00 0.00 C ATOM 1910 C ILE A 115 -7.262 1.749 -7.372 1.00 0.00 C ATOM 1911 O ILE A 115 -6.652 2.780 -7.094 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.077 0.312 -5.259 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.912 -1.128 -4.770 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.442 0.892 -4.882 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -5.970 -1.193 -3.566 1.00 0.00 C ATOM 0 H ILE A 115 -4.830 0.973 -6.970 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.469 -0.358 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.321 0.913 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.885 -1.537 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.520 -1.747 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.587 0.811 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.485 1.941 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.227 0.338 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.870 -2.228 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.991 -0.806 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.377 -0.592 -2.753 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.304 1.690 -8.188 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.817 2.886 -8.834 1.00 0.00 C ATOM 1929 C GLU A 116 -9.907 3.529 -7.974 1.00 0.00 C ATOM 1930 O GLU A 116 -11.008 2.992 -7.858 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.340 2.570 -10.237 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.196 2.177 -11.173 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.559 2.461 -12.632 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.653 2.016 -13.042 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -7.735 3.117 -13.305 1.00 0.00 O ATOM 0 H GLU A 116 -8.807 0.833 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.998 3.598 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.066 1.759 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.861 3.439 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.296 2.729 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.969 1.118 -11.051 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.563 4.669 -7.394 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.499 5.390 -6.548 1.00 0.00 C ATOM 1944 C LEU A 117 -11.877 5.399 -7.211 1.00 0.00 C ATOM 1945 O LEU A 117 -12.899 5.375 -6.527 1.00 0.00 O ATOM 1946 CB LEU A 117 -9.963 6.787 -6.226 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.493 6.861 -5.807 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.153 8.243 -5.244 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.145 5.741 -4.825 1.00 0.00 C ATOM 0 H LEU A 117 -8.649 5.111 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.610 4.886 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.103 7.419 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.570 7.212 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.877 6.713 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.103 8.269 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.338 9.001 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.776 8.444 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.095 5.817 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.767 5.832 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.325 4.775 -5.296 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.861 5.432 -8.536 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.098 5.444 -9.299 1.00 0.00 C ATOM 1963 C GLU A 118 -13.984 4.265 -8.892 1.00 0.00 C ATOM 1964 O GLU A 118 -15.158 4.447 -8.574 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.814 5.424 -10.802 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.967 6.054 -11.586 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.697 6.008 -13.091 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.523 6.223 -13.464 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.670 5.758 -13.835 1.00 0.00 O ATOM 0 H GLU A 118 -11.011 5.451 -9.100 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.632 6.368 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.891 5.965 -11.009 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.662 4.397 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.894 5.526 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.105 7.088 -11.269 1.00 0.00 H new ATOM 1976 N THR A 119 -13.387 3.082 -8.916 1.00 0.00 N ATOM 1977 CA THR A 119 -14.108 1.873 -8.554 1.00 0.00 C ATOM 1978 C THR A 119 -13.590 1.322 -7.223 1.00 0.00 C ATOM 1979 O THR A 119 -13.634 0.116 -6.988 1.00 0.00 O ATOM 1980 CB THR A 119 -13.981 0.882 -9.712 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.669 0.345 -9.567 1.00 0.00 O ATOM 1982 CG2 THR A 119 -13.951 1.576 -11.076 1.00 0.00 C ATOM 0 H THR A 119 -12.413 2.935 -9.180 1.00 0.00 H new ATOM 0 HA THR A 119 -15.167 2.076 -8.396 1.00 0.00 H new ATOM 0 HB THR A 119 -14.813 0.179 -9.681 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.503 -0.309 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.860 0.828 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.873 2.141 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.099 2.255 -11.120 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.110 2.233 -6.389 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.585 1.853 -5.089 1.00 0.00 C ATOM 1992 C ALA A 120 -13.741 1.722 -4.095 1.00 0.00 C ATOM 1993 O ALA A 120 -14.384 2.712 -3.751 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.543 2.880 -4.639 1.00 0.00 C ATOM 0 H ALA A 120 -13.074 3.233 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.087 0.885 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.149 2.595 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.729 2.914 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.008 3.863 -4.569 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.968 0.491 -3.660 1.00 0.00 N ATOM 2001 CA LEU A 121 -15.035 0.218 -2.712 1.00 0.00 C ATOM 2002 C LEU A 121 -14.689 0.853 -1.364 1.00 0.00 C ATOM 2003 O LEU A 121 -14.007 0.243 -0.543 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.308 -1.286 -2.632 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.084 -2.197 -2.754 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -12.931 -1.685 -1.889 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.446 -3.647 -2.429 1.00 0.00 C ATOM 0 H LEU A 121 -13.432 -0.328 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.968 0.671 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.799 -1.496 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.013 -1.550 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.743 -2.175 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.074 -2.350 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.653 -0.681 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.243 -1.658 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.559 -4.273 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -14.826 -3.707 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.211 -3.995 -3.123 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.177 2.071 -1.178 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.928 2.796 0.056 1.00 0.00 C ATOM 2021 C LEU A 122 -16.126 2.627 0.993 1.00 0.00 C ATOM 2022 O LEU A 122 -17.237 3.040 0.665 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.581 4.256 -0.241 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.432 4.486 -1.224 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.810 5.531 -2.275 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.144 4.856 -0.486 1.00 0.00 C ATOM 0 H LEU A 122 -15.743 2.574 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.060 2.384 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.471 4.748 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.332 4.748 0.699 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.243 3.551 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.975 5.675 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.682 5.188 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.042 6.475 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.343 5.014 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.302 5.770 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.868 4.048 0.191 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.859 2.019 2.139 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.902 1.790 3.125 1.00 0.00 C ATOM 2040 C ASP A 123 -16.262 1.594 4.501 1.00 0.00 C ATOM 2041 O ASP A 123 -16.837 0.939 5.369 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.706 0.532 2.794 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.215 0.746 2.657 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.598 1.520 1.753 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.951 0.132 3.458 1.00 0.00 O ATOM 0 H ASP A 123 -14.936 1.678 2.407 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.567 2.654 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.328 0.112 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.529 -0.210 3.573 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.080 2.172 4.657 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.356 2.069 5.913 1.00 0.00 C ATOM 2052 C ASP A 124 -14.404 0.622 6.406 1.00 0.00 C ATOM 2053 O ASP A 124 -14.768 0.364 7.552 1.00 0.00 O ATOM 2054 CB ASP A 124 -14.988 2.956 6.987 1.00 0.00 C ATOM 2055 CG ASP A 124 -16.412 2.568 7.391 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -17.343 3.006 6.681 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -16.537 1.841 8.401 1.00 0.00 O ATOM 0 H ASP A 124 -14.605 2.713 3.934 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.329 2.391 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -14.356 2.933 7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -14.996 3.985 6.628 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.030 -0.286 5.516 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.025 -1.701 5.847 1.00 0.00 C ATOM 2064 C GLU A 125 -12.717 -2.349 5.387 1.00 0.00 C ATOM 2065 O GLU A 125 -12.150 -1.956 4.369 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.233 -2.411 5.234 1.00 0.00 C ATOM 2067 CG GLU A 125 -15.008 -2.694 3.748 1.00 0.00 C ATOM 2068 CD GLU A 125 -15.934 -1.840 2.880 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.124 -2.210 2.784 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -15.431 -0.835 2.333 1.00 0.00 O ATOM 0 H GLU A 125 -13.728 -0.069 4.566 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.097 -1.801 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.416 -3.347 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.123 -1.795 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -13.969 -2.489 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -15.185 -3.750 3.545 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.265 -3.357 6.181 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.035 -4.063 5.866 1.00 0.00 C ATOM 2079 C PRO A 126 -11.241 -5.029 4.697 1.00 0.00 C ATOM 2080 O PRO A 126 -12.090 -5.917 4.763 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.644 -4.766 7.155 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.904 -4.809 8.006 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.911 -3.849 7.394 1.00 0.00 C ATOM 0 HA PRO A 126 -10.240 -3.395 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.274 -5.771 6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.846 -4.228 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.310 -5.820 8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.681 -4.524 9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.850 -4.353 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.145 -3.032 8.077 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.450 -4.823 3.655 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.535 -5.664 2.473 1.00 0.00 C ATOM 2093 C HIS A 127 -9.181 -6.330 2.219 1.00 0.00 C ATOM 2094 O HIS A 127 -8.135 -5.717 2.425 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.037 -4.863 1.270 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.182 -5.514 0.533 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.507 -5.200 0.779 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -12.187 -6.463 -0.447 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.267 -5.934 -0.022 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -13.446 -6.717 -0.780 1.00 0.00 N ATOM 0 H HIS A 127 -9.747 -4.086 3.604 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.266 -6.456 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.351 -3.876 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.210 -4.713 0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -11.314 -6.929 -0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.346 -5.915 -0.067 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -13.750 -7.387 -1.486 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.245 -7.577 1.774 1.00 0.00 N ATOM 2109 CA TRP A 128 -8.037 -8.332 1.489 1.00 0.00 C ATOM 2110 C TRP A 128 -7.769 -8.245 -0.014 1.00 0.00 C ATOM 2111 O TRP A 128 -8.454 -8.886 -0.809 1.00 0.00 O ATOM 2112 CB TRP A 128 -8.160 -9.772 1.992 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.955 -9.924 3.501 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.880 -10.170 4.438 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.703 -9.830 4.212 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.318 -10.240 5.697 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.952 -10.027 5.555 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.402 -9.587 3.736 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.950 -10.001 6.532 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.412 -9.564 4.726 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.647 -9.760 6.082 1.00 0.00 C ATOM 0 H TRP A 128 -10.114 -8.083 1.604 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.184 -7.910 2.020 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -9.146 -10.155 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.429 -10.391 1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.933 -10.298 4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.814 -10.416 6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.184 -9.431 2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.171 -10.159 7.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.394 -9.381 4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.828 -9.726 6.785 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.769 -7.447 -0.359 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.401 -7.268 -1.753 1.00 0.00 C ATOM 2134 C TYR A 129 -5.204 -8.146 -2.122 1.00 0.00 C ATOM 2135 O TYR A 129 -4.142 -8.043 -1.510 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.003 -5.797 -1.899 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.125 -4.813 -1.560 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.312 -4.851 -2.263 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -6.949 -3.887 -0.552 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.367 -3.925 -1.945 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.005 -2.961 -0.233 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.161 -3.025 -0.946 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.158 -2.150 -0.645 1.00 0.00 O ATOM 0 H TYR A 129 -6.202 -6.917 0.303 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.229 -7.545 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.149 -5.596 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.675 -5.620 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.449 -5.576 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.020 -3.857 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.301 -3.944 -2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.881 -2.232 0.555 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.900 -2.632 -0.224 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.415 -8.991 -3.121 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.367 -9.887 -3.578 1.00 0.00 C ATOM 2155 C LYS A 130 -3.265 -9.071 -4.257 1.00 0.00 C ATOM 2156 O LYS A 130 -3.550 -8.109 -4.970 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.952 -10.988 -4.464 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.004 -12.323 -3.718 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.561 -13.431 -4.615 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.544 -14.315 -3.845 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.556 -14.885 -4.763 1.00 0.00 N ATOM 0 H LYS A 130 -6.297 -9.074 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.909 -10.400 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.955 -10.707 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.348 -11.094 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.004 -12.593 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.626 -12.223 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.061 -12.989 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -4.742 -14.040 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.004 -15.119 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.037 -13.730 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.216 -15.482 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.082 -14.114 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.082 -15.460 -5.489 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.030 -9.484 -4.012 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.885 -8.804 -4.591 1.00 0.00 C ATOM 2177 C LEU A 131 -0.658 -9.317 -6.015 1.00 0.00 C ATOM 2178 O LEU A 131 -0.947 -10.474 -6.315 1.00 0.00 O ATOM 2179 CB LEU A 131 0.339 -8.947 -3.684 1.00 0.00 C ATOM 2180 CG LEU A 131 0.277 -8.198 -2.351 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.684 -9.109 -1.191 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.119 -6.922 -2.401 1.00 0.00 C ATOM 0 H LEU A 131 -1.798 -10.281 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.076 -7.733 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.491 -10.006 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.215 -8.601 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.756 -7.896 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.631 -8.552 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.008 -9.962 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.703 -9.462 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.058 -6.408 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.157 -7.179 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.742 -6.268 -3.187 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.143 -8.431 -6.854 1.00 0.00 N ATOM 2195 CA GLN A 132 0.126 -8.779 -8.239 1.00 0.00 C ATOM 2196 C GLN A 132 1.622 -8.662 -8.535 1.00 0.00 C ATOM 2197 O GLN A 132 2.212 -7.598 -8.356 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.692 -7.906 -9.193 1.00 0.00 C ATOM 2199 CG GLN A 132 -2.190 -8.039 -8.909 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.996 -8.043 -10.210 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.495 -7.744 -11.282 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -4.269 -8.396 -10.057 1.00 0.00 N ATOM 0 H GLN A 132 0.095 -7.472 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.176 -9.814 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.389 -6.864 -9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -0.486 -8.196 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.379 -8.960 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.518 -7.215 -8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -4.624 -8.634 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.890 -8.428 -10.866 1.00 0.00 H new