USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 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 66 HIS :FLIP no HD1:sc= -0.0012 F(o=-1.1,f=-0.011) USER MOD Set 1.2: B 112 GLN :FLIP amide:sc= -0.0102 F(o=-1.2,f=-0.011) USER MOD Set 2.1: A 65 TYR OH : rot -147:sc= -1.47! USER MOD Set 2.2: B 116 THR OG1 : rot 90:sc= 2.04 USER MOD Set 2.3: B 119 SER OG : rot -80:sc= -0.606 USER MOD Set 3.1: A 46 TYR OH : rot -170:sc= 1.2 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.732) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -0.16 X(o=-0.33,f=-0.017) USER MOD Set 4.2: A 24 GLN : amide:sc= -0.168 X(o=-0.33,f=-0.34) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0405 F(o=-2.2,f=-0.04) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.823) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -139:sc= -2.69! (180deg=-4.9!) USER MOD Single : A 42 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.73) USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= 1.1 (180deg=0.485) USER MOD Single : A 54 MET CE :methyl 158:sc= -1.73 (180deg=-2.7!) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.267 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.0275 X(o=0.028,f=-0.043) USER MOD Single : A 60 SER OG : rot 130:sc= 0.844 USER MOD Single : A 64 TYR OH : rot 51:sc= 0.836 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.683 X(o=-0.68,f=-1.2!) USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= 0.358 (180deg=-0.775) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 THR OG1 : rot 38:sc= 0.341 USER MOD Single : B 117 SER OG : rot 68:sc= 1.28 USER MOD Single : B 141 MET CE :methyl -174:sc= -4.39! (180deg=-4.47!) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 34:sc= 0.805 USER MOD Single : B 150 MET CE :methyl -161:sc= -0.13 (180deg=-0.645) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.878 -0.891 -5.146 1.00 0.00 N ATOM 73 CA GLY A 5 23.338 -1.232 -3.785 1.00 0.00 C ATOM 74 C GLY A 5 22.303 -1.032 -2.675 1.00 0.00 C ATOM 75 O GLY A 5 22.287 -1.772 -1.683 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.657 -2.274 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.216 -0.628 -3.554 1.00 0.00 H new ATOM 79 N TRP A 6 21.415 -0.078 -2.865 1.00 0.00 N ATOM 80 CA TRP A 6 20.387 0.227 -1.899 1.00 0.00 C ATOM 81 C TRP A 6 19.396 -0.922 -1.684 1.00 0.00 C ATOM 82 O TRP A 6 18.686 -0.923 -0.680 1.00 0.00 O ATOM 83 CB TRP A 6 19.619 1.502 -2.278 1.00 0.00 C ATOM 84 CG TRP A 6 18.839 1.409 -3.566 1.00 0.00 C ATOM 85 CD1 TRP A 6 19.239 1.820 -4.795 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.511 0.871 -3.745 1.00 0.00 C ATOM 87 NE1 TRP A 6 18.244 1.605 -5.707 1.00 0.00 N ATOM 88 CE2 TRP A 6 17.189 1.007 -5.095 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.575 0.287 -2.895 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.978 0.592 -5.613 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.374 -0.126 -3.416 1.00 0.00 C ATOM 92 CH2 TRP A 6 15.090 0.025 -4.757 1.00 0.00 C ATOM 0 H TRP A 6 21.388 0.509 -3.699 1.00 0.00 H new ATOM 0 HA TRP A 6 20.914 0.386 -0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 6 18.931 1.749 -1.470 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.327 2.327 -2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 6 20.202 2.253 -5.020 1.00 0.00 H new ATOM 0 HE1 TRP A 6 18.287 1.855 -6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.790 0.161 -1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.746 0.714 -6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.639 -0.577 -2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 6 14.138 -0.316 -5.135 1.00 0.00 H new ATOM 103 N HIS A 7 19.322 -1.902 -2.606 1.00 0.00 N ATOM 104 CA HIS A 7 18.334 -2.976 -2.443 1.00 0.00 C ATOM 105 C HIS A 7 18.677 -3.890 -1.274 1.00 0.00 C ATOM 106 O HIS A 7 17.849 -4.661 -0.808 1.00 0.00 O ATOM 107 CB HIS A 7 18.018 -3.785 -3.744 1.00 0.00 C ATOM 108 CG HIS A 7 19.120 -4.620 -4.338 1.00 0.00 C ATOM 109 ND1 HIS A 7 19.637 -5.762 -3.763 1.00 0.00 N ATOM 110 CD2 HIS A 7 19.783 -4.466 -5.499 1.00 0.00 C ATOM 111 CE1 HIS A 7 20.574 -6.237 -4.570 1.00 0.00 C ATOM 112 NE2 HIS A 7 20.704 -5.484 -5.647 1.00 0.00 N ATOM 0 H HIS A 7 19.910 -1.970 -3.437 1.00 0.00 H new ATOM 0 HA HIS A 7 17.403 -2.460 -2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.176 -4.444 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 7 17.686 -3.079 -4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.619 -3.667 -6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.156 -7.125 -4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.349 -5.625 -6.425 1.00 0.00 H new ATOM 120 N GLU A 8 19.894 -3.772 -0.777 1.00 0.00 N ATOM 121 CA GLU A 8 20.311 -4.545 0.369 1.00 0.00 C ATOM 122 C GLU A 8 19.993 -3.778 1.655 1.00 0.00 C ATOM 123 O GLU A 8 20.212 -4.263 2.762 1.00 0.00 O ATOM 124 CB GLU A 8 21.792 -4.884 0.287 1.00 0.00 C ATOM 125 CG GLU A 8 22.181 -5.572 -1.006 1.00 0.00 C ATOM 126 CD GLU A 8 23.589 -6.096 -0.993 1.00 0.00 C ATOM 127 OE1 GLU A 8 24.541 -5.291 -0.918 1.00 0.00 O ATOM 128 OE2 GLU A 8 23.772 -7.329 -1.082 1.00 0.00 O ATOM 0 H GLU A 8 20.608 -3.147 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 8 19.760 -5.485 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.373 -3.968 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.057 -5.527 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 8 21.494 -6.397 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.068 -4.870 -1.832 1.00 0.00 H new ATOM 135 N HIS A 9 19.475 -2.571 1.486 1.00 0.00 N ATOM 136 CA HIS A 9 19.063 -1.729 2.602 1.00 0.00 C ATOM 137 C HIS A 9 17.588 -1.885 2.865 1.00 0.00 C ATOM 138 O HIS A 9 17.074 -1.436 3.889 1.00 0.00 O ATOM 139 CB HIS A 9 19.378 -0.246 2.351 1.00 0.00 C ATOM 140 CG HIS A 9 20.822 0.120 2.481 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.318 0.935 3.477 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.883 -0.209 1.706 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.627 1.073 3.287 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.026 0.396 2.219 1.00 0.00 N ATOM 0 H HIS A 9 19.328 -2.146 0.571 1.00 0.00 H new ATOM 0 HA HIS A 9 19.630 -2.057 3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.040 0.018 1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.800 0.357 3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.847 -0.840 0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.278 1.659 3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 9 23.975 0.332 1.850 1.00 0.00 H new ATOM 152 N VAL A 10 16.898 -2.494 1.936 1.00 0.00 N ATOM 153 CA VAL A 10 15.487 -2.713 2.088 1.00 0.00 C ATOM 154 C VAL A 10 15.325 -4.148 2.413 1.00 0.00 C ATOM 155 O VAL A 10 15.605 -5.013 1.578 1.00 0.00 O ATOM 156 CB VAL A 10 14.687 -2.447 0.803 1.00 0.00 C ATOM 157 CG1 VAL A 10 13.295 -1.920 1.061 1.00 0.00 C ATOM 158 CG2 VAL A 10 15.455 -1.671 -0.202 1.00 0.00 C ATOM 0 H VAL A 10 17.293 -2.847 1.065 1.00 0.00 H new ATOM 0 HA VAL A 10 15.114 -2.032 2.853 1.00 0.00 H new ATOM 0 HB VAL A 10 14.524 -3.422 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.787 -1.754 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.735 -2.646 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.358 -0.979 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.840 -1.514 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.736 -0.706 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 10 16.354 -2.222 -0.478 1.00 0.00 H new ATOM 168 N THR A 11 14.937 -4.422 3.601 1.00 0.00 N ATOM 169 CA THR A 11 14.754 -5.763 3.996 1.00 0.00 C ATOM 170 C THR A 11 13.487 -6.289 3.334 1.00 0.00 C ATOM 171 O THR A 11 12.538 -5.513 3.095 1.00 0.00 O ATOM 172 CB THR A 11 14.606 -5.840 5.508 1.00 0.00 C ATOM 173 OG1 THR A 11 15.645 -5.047 6.121 1.00 0.00 O ATOM 174 CG2 THR A 11 14.746 -7.271 5.962 1.00 0.00 C ATOM 0 H THR A 11 14.739 -3.728 4.322 1.00 0.00 H new ATOM 0 HA THR A 11 15.615 -6.361 3.695 1.00 0.00 H new ATOM 0 HB THR A 11 13.625 -5.463 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.556 -5.089 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.639 -7.321 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.972 -7.879 5.493 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.728 -7.649 5.676 1.00 0.00 H new ATOM 182 N GLN A 12 13.462 -7.582 3.056 1.00 0.00 N ATOM 183 CA GLN A 12 12.317 -8.226 2.452 1.00 0.00 C ATOM 184 C GLN A 12 11.087 -7.989 3.309 1.00 0.00 C ATOM 185 O GLN A 12 10.018 -7.730 2.807 1.00 0.00 O ATOM 186 CB GLN A 12 12.585 -9.733 2.241 1.00 0.00 C ATOM 187 CG GLN A 12 11.477 -10.478 1.491 1.00 0.00 C ATOM 188 CD GLN A 12 10.578 -11.351 2.370 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.425 -11.018 3.631 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 10.045 -12.342 1.908 1.00 0.00 N flip ATOM 0 H GLN A 12 14.240 -8.213 3.245 1.00 0.00 H new ATOM 0 HA GLN A 12 12.137 -7.791 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.519 -9.849 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.727 -10.203 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.855 -9.748 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.935 -11.107 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.178 -12.581 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.465 -12.934 2.503 1.00 0.00 H new ATOM 199 N ASP A 13 11.274 -8.023 4.604 1.00 0.00 N ATOM 200 CA ASP A 13 10.184 -7.810 5.544 1.00 0.00 C ATOM 201 C ASP A 13 9.652 -6.358 5.513 1.00 0.00 C ATOM 202 O ASP A 13 8.468 -6.135 5.709 1.00 0.00 O ATOM 203 CB ASP A 13 10.616 -8.217 6.952 1.00 0.00 C ATOM 204 CG ASP A 13 9.517 -8.086 7.973 1.00 0.00 C ATOM 205 OD1 ASP A 13 8.562 -8.907 7.951 1.00 0.00 O ATOM 206 OD2 ASP A 13 9.586 -7.171 8.818 1.00 0.00 O ATOM 0 H ASP A 13 12.178 -8.198 5.043 1.00 0.00 H new ATOM 0 HA ASP A 13 9.353 -8.445 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.964 -9.250 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.462 -7.601 7.257 1.00 0.00 H new ATOM 211 N LEU A 14 10.516 -5.388 5.172 1.00 0.00 N ATOM 212 CA LEU A 14 10.110 -3.965 5.152 1.00 0.00 C ATOM 213 C LEU A 14 9.270 -3.724 3.920 1.00 0.00 C ATOM 214 O LEU A 14 8.139 -3.240 4.005 1.00 0.00 O ATOM 215 CB LEU A 14 11.375 -3.039 5.201 1.00 0.00 C ATOM 216 CG LEU A 14 11.215 -1.473 5.135 1.00 0.00 C ATOM 217 CD1 LEU A 14 11.013 -0.974 3.727 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.078 -0.971 5.999 1.00 0.00 C ATOM 0 H LEU A 14 11.487 -5.555 4.909 1.00 0.00 H new ATOM 0 HA LEU A 14 9.512 -3.724 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.909 -3.271 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.022 -3.333 4.375 1.00 0.00 H new ATOM 0 HG LEU A 14 12.154 -1.076 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.908 0.111 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.873 -1.250 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.112 -1.422 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.011 0.114 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.142 -1.419 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.261 -1.246 7.038 1.00 0.00 H new ATOM 230 N ARG A 15 9.808 -4.103 2.783 1.00 0.00 N ATOM 231 CA ARG A 15 9.080 -4.008 1.542 1.00 0.00 C ATOM 232 C ARG A 15 7.773 -4.812 1.574 1.00 0.00 C ATOM 233 O ARG A 15 6.730 -4.326 1.160 1.00 0.00 O ATOM 234 CB ARG A 15 9.965 -4.416 0.394 1.00 0.00 C ATOM 235 CG ARG A 15 10.592 -5.762 0.514 1.00 0.00 C ATOM 236 CD ARG A 15 11.645 -5.933 -0.522 1.00 0.00 C ATOM 237 NE ARG A 15 11.098 -5.769 -1.880 1.00 0.00 N ATOM 238 CZ ARG A 15 11.471 -6.469 -2.951 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.564 -7.237 -2.913 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.778 -6.357 -4.072 1.00 0.00 N ATOM 0 H ARG A 15 10.751 -4.481 2.694 1.00 0.00 H new ATOM 0 HA ARG A 15 8.789 -2.968 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.376 -4.389 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.756 -3.674 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.026 -5.882 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.833 -6.536 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.440 -5.205 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.094 -6.922 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 15 10.375 -5.062 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.120 -7.291 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.842 -7.769 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.967 -5.740 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.055 -6.888 -4.898 1.00 0.00 H new ATOM 254 N SER A 16 7.822 -6.009 2.141 1.00 0.00 N ATOM 255 CA SER A 16 6.651 -6.850 2.242 1.00 0.00 C ATOM 256 C SER A 16 5.646 -6.247 3.238 1.00 0.00 C ATOM 257 O SER A 16 4.446 -6.485 3.137 1.00 0.00 O ATOM 258 CB SER A 16 7.056 -8.278 2.634 1.00 0.00 C ATOM 259 OG SER A 16 5.962 -9.180 2.624 1.00 0.00 O ATOM 0 H SER A 16 8.668 -6.416 2.539 1.00 0.00 H new ATOM 0 HA SER A 16 6.160 -6.901 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.822 -8.635 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.501 -8.265 3.629 1.00 0.00 H new ATOM 0 HG SER A 16 6.273 -10.074 2.879 1.00 0.00 H new ATOM 265 N HIS A 17 6.140 -5.449 4.185 1.00 0.00 N ATOM 266 CA HIS A 17 5.273 -4.752 5.123 1.00 0.00 C ATOM 267 C HIS A 17 4.481 -3.702 4.356 1.00 0.00 C ATOM 268 O HIS A 17 3.292 -3.480 4.620 1.00 0.00 O ATOM 269 CB HIS A 17 6.092 -4.076 6.240 1.00 0.00 C ATOM 270 CG HIS A 17 5.257 -3.517 7.358 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.120 -4.121 8.579 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.509 -2.392 7.413 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.310 -3.375 9.323 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.908 -2.306 8.657 1.00 0.00 N ATOM 0 H HIS A 17 7.136 -5.272 4.319 1.00 0.00 H new ATOM 0 HA HIS A 17 4.601 -5.471 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.793 -4.802 6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.685 -3.271 5.805 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.563 -4.993 8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.398 -1.675 6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.019 -3.610 10.336 1.00 0.00 H new ATOM 282 N LEU A 18 5.142 -3.053 3.404 1.00 0.00 N ATOM 283 CA LEU A 18 4.464 -2.069 2.569 1.00 0.00 C ATOM 284 C LEU A 18 3.449 -2.764 1.674 1.00 0.00 C ATOM 285 O LEU A 18 2.366 -2.252 1.462 1.00 0.00 O ATOM 286 CB LEU A 18 5.441 -1.196 1.744 1.00 0.00 C ATOM 287 CG LEU A 18 6.361 -0.182 2.503 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.112 -0.180 4.006 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.821 -0.479 2.217 1.00 0.00 C ATOM 0 H LEU A 18 6.131 -3.187 3.193 1.00 0.00 H new ATOM 0 HA LEU A 18 3.944 -1.380 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.085 -1.867 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.852 -0.632 1.021 1.00 0.00 H new ATOM 0 HG LEU A 18 6.112 0.813 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.776 0.540 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.076 0.095 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.306 -1.174 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.449 0.234 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.058 -1.490 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.007 -0.394 1.146 1.00 0.00 H new ATOM 301 N VAL A 19 3.809 -3.951 1.188 1.00 0.00 N ATOM 302 CA VAL A 19 2.899 -4.816 0.406 1.00 0.00 C ATOM 303 C VAL A 19 1.635 -5.111 1.236 1.00 0.00 C ATOM 304 O VAL A 19 0.501 -4.982 0.757 1.00 0.00 O ATOM 305 CB VAL A 19 3.597 -6.170 0.045 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.665 -7.104 -0.673 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.820 -5.941 -0.800 1.00 0.00 C ATOM 0 H VAL A 19 4.739 -4.349 1.320 1.00 0.00 H new ATOM 0 HA VAL A 19 2.634 -4.297 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 19 3.892 -6.631 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.188 -8.032 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.806 -7.321 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.324 -6.638 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.284 -6.899 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.535 -5.439 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.529 -5.319 -0.253 1.00 0.00 H new ATOM 317 N HIS A 20 1.867 -5.492 2.473 1.00 0.00 N ATOM 318 CA HIS A 20 0.827 -5.744 3.459 1.00 0.00 C ATOM 319 C HIS A 20 -0.109 -4.518 3.585 1.00 0.00 C ATOM 320 O HIS A 20 -1.342 -4.635 3.470 1.00 0.00 O ATOM 321 CB HIS A 20 1.530 -6.077 4.789 1.00 0.00 C ATOM 322 CG HIS A 20 0.665 -6.141 5.994 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.783 -5.269 7.045 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.314 -7.005 6.324 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.099 -5.614 7.968 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.804 -6.674 7.586 1.00 0.00 N ATOM 0 H HIS A 20 2.809 -5.641 2.835 1.00 0.00 H new ATOM 0 HA HIS A 20 0.195 -6.580 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.034 -7.037 4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.304 -5.329 4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.663 -7.822 5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.229 -5.101 8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.545 -7.145 8.105 1.00 0.00 H new ATOM 334 N LYS A 21 0.487 -3.355 3.768 1.00 0.00 N ATOM 335 CA LYS A 21 -0.265 -2.118 3.863 1.00 0.00 C ATOM 336 C LYS A 21 -0.987 -1.775 2.581 1.00 0.00 C ATOM 337 O LYS A 21 -2.100 -1.261 2.630 1.00 0.00 O ATOM 338 CB LYS A 21 0.603 -0.971 4.346 1.00 0.00 C ATOM 339 CG LYS A 21 0.725 -0.940 5.846 1.00 0.00 C ATOM 340 CD LYS A 21 1.717 0.059 6.308 1.00 0.00 C ATOM 341 CE LYS A 21 1.784 0.140 7.819 1.00 0.00 C ATOM 342 NZ LYS A 21 0.512 0.592 8.420 1.00 0.00 N ATOM 0 H LYS A 21 1.497 -3.241 3.854 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.037 -2.282 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.596 -1.059 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.182 -0.028 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.247 -0.712 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.013 -1.928 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.701 -0.199 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.460 1.038 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.044 -0.839 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.582 0.825 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.701 1.030 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.060 1.288 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.121 -0.223 8.546 1.00 0.00 H new ATOM 356 N LEU A 22 -0.362 -2.056 1.443 1.00 0.00 N ATOM 357 CA LEU A 22 -0.984 -1.843 0.138 1.00 0.00 C ATOM 358 C LEU A 22 -2.305 -2.583 0.068 1.00 0.00 C ATOM 359 O LEU A 22 -3.300 -2.023 -0.356 1.00 0.00 O ATOM 360 CB LEU A 22 -0.046 -2.260 -1.011 1.00 0.00 C ATOM 361 CG LEU A 22 1.172 -1.355 -1.260 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.129 -1.997 -2.250 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.718 -0.039 -1.824 1.00 0.00 C ATOM 0 H LEU A 22 0.584 -2.435 1.397 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.176 -0.777 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.313 -3.269 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.631 -2.307 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 22 1.683 -1.207 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.983 -1.338 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.476 -2.951 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.616 -2.163 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.584 0.600 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.195 -0.208 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.045 0.447 -1.117 1.00 0.00 H new ATOM 375 N VAL A 23 -2.305 -3.822 0.549 1.00 0.00 N ATOM 376 CA VAL A 23 -3.513 -4.630 0.646 1.00 0.00 C ATOM 377 C VAL A 23 -4.571 -3.973 1.544 1.00 0.00 C ATOM 378 O VAL A 23 -5.694 -3.761 1.112 1.00 0.00 O ATOM 379 CB VAL A 23 -3.186 -6.074 1.147 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.362 -6.693 1.910 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.908 -6.928 -0.053 1.00 0.00 C ATOM 0 H VAL A 23 -1.465 -4.294 0.883 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.931 -4.700 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.331 -6.020 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.093 -7.696 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.598 -6.076 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.232 -6.748 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.676 -7.943 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.785 -6.944 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.060 -6.519 -0.602 1.00 0.00 H new ATOM 391 N GLN A 24 -4.191 -3.624 2.772 1.00 0.00 N ATOM 392 CA GLN A 24 -5.148 -3.067 3.743 1.00 0.00 C ATOM 393 C GLN A 24 -5.677 -1.711 3.295 1.00 0.00 C ATOM 394 O GLN A 24 -6.773 -1.296 3.691 1.00 0.00 O ATOM 395 CB GLN A 24 -4.514 -2.938 5.122 1.00 0.00 C ATOM 396 CG GLN A 24 -3.897 -4.218 5.651 1.00 0.00 C ATOM 397 CD GLN A 24 -3.324 -4.032 7.032 1.00 0.00 C ATOM 398 OE1 GLN A 24 -2.183 -3.631 7.188 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.102 -4.321 8.040 1.00 0.00 N ATOM 0 H GLN A 24 -3.237 -3.714 3.122 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.985 -3.762 3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.744 -2.167 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.272 -2.597 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.652 -5.004 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.111 -4.550 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.051 -4.654 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.760 -4.214 8.995 1.00 0.00 H new ATOM 408 N ALA A 25 -4.891 -0.996 2.523 1.00 0.00 N ATOM 409 CA ALA A 25 -5.317 0.259 2.003 1.00 0.00 C ATOM 410 C ALA A 25 -6.187 0.097 0.780 1.00 0.00 C ATOM 411 O ALA A 25 -7.195 0.767 0.675 1.00 0.00 O ATOM 412 CB ALA A 25 -4.147 1.079 1.671 1.00 0.00 C ATOM 0 H ALA A 25 -3.949 -1.274 2.247 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.913 0.751 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.476 2.039 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.551 1.243 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.543 0.565 0.924 1.00 0.00 H new ATOM 418 N ILE A 26 -5.809 -0.797 -0.134 1.00 0.00 N ATOM 419 CA ILE A 26 -6.565 -0.960 -1.370 1.00 0.00 C ATOM 420 C ILE A 26 -7.903 -1.602 -1.068 1.00 0.00 C ATOM 421 O ILE A 26 -8.939 -1.216 -1.606 1.00 0.00 O ATOM 422 CB ILE A 26 -5.800 -1.813 -2.466 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.554 -1.754 -3.774 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.598 -3.283 -2.074 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.151 -2.818 -4.767 1.00 0.00 C ATOM 0 H ILE A 26 -4.998 -1.409 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.703 0.037 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.809 -1.369 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.621 -1.848 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.400 -0.774 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.068 -3.803 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.014 -3.338 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.568 -3.754 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.738 -2.706 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.092 -2.713 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.331 -3.803 -4.338 1.00 0.00 H new ATOM 437 N PHE A 27 -7.871 -2.546 -0.181 1.00 0.00 N ATOM 438 CA PHE A 27 -9.011 -3.274 0.185 1.00 0.00 C ATOM 439 C PHE A 27 -9.218 -3.225 1.660 1.00 0.00 C ATOM 440 O PHE A 27 -8.478 -3.864 2.431 1.00 0.00 O ATOM 441 CB PHE A 27 -8.932 -4.702 -0.333 1.00 0.00 C ATOM 442 CG PHE A 27 -9.591 -4.892 -1.679 1.00 0.00 C ATOM 443 CD1 PHE A 27 -9.184 -4.168 -2.780 1.00 0.00 C ATOM 444 CD2 PHE A 27 -10.611 -5.799 -1.834 1.00 0.00 C ATOM 445 CE1 PHE A 27 -9.779 -4.340 -4.007 1.00 0.00 C ATOM 446 CE2 PHE A 27 -11.215 -5.978 -3.065 1.00 0.00 C ATOM 447 CZ PHE A 27 -10.797 -5.247 -4.149 1.00 0.00 C ATOM 0 H PHE A 27 -7.023 -2.827 0.312 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.881 -2.811 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.885 -4.997 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.402 -5.369 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.382 -3.452 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.945 -6.378 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.446 -3.762 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.016 -6.694 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.269 -5.386 -5.111 1.00 0.00 H new ATOM 457 N PRO A 28 -10.167 -2.383 2.086 1.00 0.00 N ATOM 458 CA PRO A 28 -10.572 -2.281 3.462 1.00 0.00 C ATOM 459 C PRO A 28 -10.844 -3.625 4.049 1.00 0.00 C ATOM 460 O PRO A 28 -11.420 -4.510 3.396 1.00 0.00 O ATOM 461 CB PRO A 28 -11.862 -1.524 3.414 1.00 0.00 C ATOM 462 CG PRO A 28 -11.836 -0.741 2.157 1.00 0.00 C ATOM 463 CD PRO A 28 -10.878 -1.418 1.234 1.00 0.00 C ATOM 0 HA PRO A 28 -9.798 -1.808 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.713 -2.204 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.961 -0.868 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.830 -0.694 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.524 0.286 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.399 -1.918 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.189 -0.704 0.783 1.00 0.00 H new ATOM 471 N THR A 29 -10.458 -3.785 5.248 1.00 0.00 N ATOM 472 CA THR A 29 -10.571 -5.020 5.858 1.00 0.00 C ATOM 473 C THR A 29 -11.744 -5.024 6.851 1.00 0.00 C ATOM 474 O THR A 29 -11.684 -4.361 7.888 1.00 0.00 O ATOM 475 CB THR A 29 -9.313 -5.275 6.612 1.00 0.00 C ATOM 476 OG1 THR A 29 -8.205 -4.639 5.923 1.00 0.00 O ATOM 477 CG2 THR A 29 -9.072 -6.721 6.637 1.00 0.00 C ATOM 0 H THR A 29 -10.053 -3.051 5.830 1.00 0.00 H new ATOM 0 HA THR A 29 -10.745 -5.785 5.102 1.00 0.00 H new ATOM 0 HB THR A 29 -9.400 -4.879 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.375 -4.803 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.153 -6.927 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.908 -7.221 7.127 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.976 -7.092 5.616 1.00 0.00 H new ATOM 485 N PRO A 30 -12.824 -5.741 6.547 1.00 0.00 N ATOM 486 CA PRO A 30 -13.956 -5.852 7.457 1.00 0.00 C ATOM 487 C PRO A 30 -13.661 -6.866 8.562 1.00 0.00 C ATOM 488 O PRO A 30 -14.156 -6.756 9.690 1.00 0.00 O ATOM 489 CB PRO A 30 -15.085 -6.359 6.554 1.00 0.00 C ATOM 490 CG PRO A 30 -14.403 -7.090 5.438 1.00 0.00 C ATOM 491 CD PRO A 30 -13.038 -6.471 5.282 1.00 0.00 C ATOM 0 HA PRO A 30 -14.194 -4.914 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.760 -7.018 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.685 -5.532 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.322 -8.153 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.974 -7.004 4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.272 -7.231 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.001 -5.800 4.424 1.00 0.00 H new ATOM 499 N ASP A 31 -12.801 -7.804 8.232 1.00 0.00 N ATOM 500 CA ASP A 31 -12.447 -8.896 9.089 1.00 0.00 C ATOM 501 C ASP A 31 -11.097 -9.361 8.638 1.00 0.00 C ATOM 502 O ASP A 31 -10.825 -9.319 7.427 1.00 0.00 O ATOM 503 CB ASP A 31 -13.416 -10.050 8.864 1.00 0.00 C ATOM 504 CG ASP A 31 -13.298 -11.143 9.892 1.00 0.00 C ATOM 505 OD1 ASP A 31 -12.414 -11.993 9.775 1.00 0.00 O ATOM 506 OD2 ASP A 31 -14.110 -11.157 10.850 1.00 0.00 O ATOM 0 H ASP A 31 -12.319 -7.822 7.333 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.465 -8.591 10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.435 -9.664 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.242 -10.473 7.874 1.00 0.00 H new ATOM 511 N PRO A 32 -10.221 -9.771 9.550 1.00 0.00 N ATOM 512 CA PRO A 32 -8.917 -10.315 9.197 1.00 0.00 C ATOM 513 C PRO A 32 -8.987 -11.541 8.253 1.00 0.00 C ATOM 514 O PRO A 32 -8.029 -11.830 7.547 1.00 0.00 O ATOM 515 CB PRO A 32 -8.302 -10.726 10.533 1.00 0.00 C ATOM 516 CG PRO A 32 -9.414 -10.686 11.523 1.00 0.00 C ATOM 517 CD PRO A 32 -10.392 -9.685 11.011 1.00 0.00 C ATOM 0 HA PRO A 32 -8.336 -9.573 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.868 -11.724 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.499 -10.046 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.879 -11.667 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.047 -10.402 12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.411 -9.926 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.177 -8.684 11.384 1.00 0.00 H new ATOM 525 N ALA A 33 -10.120 -12.240 8.211 1.00 0.00 N ATOM 526 CA ALA A 33 -10.235 -13.413 7.345 1.00 0.00 C ATOM 527 C ALA A 33 -10.254 -13.039 5.858 1.00 0.00 C ATOM 528 O ALA A 33 -9.956 -13.863 4.995 1.00 0.00 O ATOM 529 CB ALA A 33 -11.427 -14.275 7.709 1.00 0.00 C ATOM 0 H ALA A 33 -10.955 -12.022 8.754 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.338 -14.007 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.473 -15.134 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.325 -14.621 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.342 -13.691 7.612 1.00 0.00 H new ATOM 535 N ALA A 34 -10.536 -11.780 5.564 1.00 0.00 N ATOM 536 CA ALA A 34 -10.546 -11.297 4.187 1.00 0.00 C ATOM 537 C ALA A 34 -9.116 -11.271 3.624 1.00 0.00 C ATOM 538 O ALA A 34 -8.899 -11.219 2.412 1.00 0.00 O ATOM 539 CB ALA A 34 -11.165 -9.905 4.123 1.00 0.00 C ATOM 0 H ALA A 34 -10.762 -11.070 6.261 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.147 -11.975 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.167 -9.555 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.189 -9.945 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.582 -9.219 4.738 1.00 0.00 H new ATOM 545 N LEU A 35 -8.158 -11.376 4.522 1.00 0.00 N ATOM 546 CA LEU A 35 -6.749 -11.302 4.196 1.00 0.00 C ATOM 547 C LEU A 35 -6.191 -12.693 3.911 1.00 0.00 C ATOM 548 O LEU A 35 -4.999 -12.855 3.703 1.00 0.00 O ATOM 549 CB LEU A 35 -6.020 -10.712 5.380 1.00 0.00 C ATOM 550 CG LEU A 35 -6.619 -9.434 5.921 1.00 0.00 C ATOM 551 CD1 LEU A 35 -6.128 -9.201 7.311 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.278 -8.255 5.036 1.00 0.00 C ATOM 0 H LEU A 35 -8.340 -11.518 5.516 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.614 -10.684 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.996 -11.452 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.986 -10.519 5.093 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.704 -9.537 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.561 -8.279 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.423 -10.036 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.041 -9.117 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.722 -7.349 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.195 -8.138 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.671 -8.427 4.034 1.00 0.00 H new ATOM 564 N LYS A 36 -7.045 -13.692 3.966 1.00 0.00 N ATOM 565 CA LYS A 36 -6.648 -15.060 3.662 1.00 0.00 C ATOM 566 C LYS A 36 -7.665 -15.692 2.727 1.00 0.00 C ATOM 567 O LYS A 36 -7.675 -16.908 2.491 1.00 0.00 O ATOM 568 CB LYS A 36 -6.487 -15.863 4.951 1.00 0.00 C ATOM 569 CG LYS A 36 -7.725 -15.866 5.823 1.00 0.00 C ATOM 570 CD LYS A 36 -7.488 -16.535 7.162 1.00 0.00 C ATOM 571 CE LYS A 36 -6.426 -15.808 7.972 1.00 0.00 C ATOM 572 NZ LYS A 36 -6.234 -16.416 9.294 1.00 0.00 N ATOM 0 H LYS A 36 -8.027 -13.586 4.220 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.682 -15.057 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.228 -16.891 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.652 -15.455 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.054 -14.840 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.532 -16.380 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.421 -16.562 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.181 -17.569 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.482 -15.820 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.712 -14.763 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.502 -15.891 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.128 -16.382 9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.936 -17.406 9.181 1.00 0.00 H new ATOM 586 N ASP A 37 -8.477 -14.843 2.153 1.00 0.00 N ATOM 587 CA ASP A 37 -9.516 -15.234 1.214 1.00 0.00 C ATOM 588 C ASP A 37 -8.866 -15.470 -0.151 1.00 0.00 C ATOM 589 O ASP A 37 -7.679 -15.189 -0.322 1.00 0.00 O ATOM 590 CB ASP A 37 -10.515 -14.092 1.108 1.00 0.00 C ATOM 591 CG ASP A 37 -11.737 -14.420 0.321 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.683 -14.991 0.875 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.761 -14.125 -0.868 1.00 0.00 O ATOM 0 H ASP A 37 -8.440 -13.838 2.323 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.022 -16.141 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.813 -13.791 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.022 -13.234 0.651 1.00 0.00 H new ATOM 598 N ARG A 38 -9.611 -15.944 -1.124 1.00 0.00 N ATOM 599 CA ARG A 38 -9.056 -16.158 -2.448 1.00 0.00 C ATOM 600 C ARG A 38 -8.794 -14.807 -3.105 1.00 0.00 C ATOM 601 O ARG A 38 -7.900 -14.660 -3.923 1.00 0.00 O ATOM 602 CB ARG A 38 -9.960 -17.040 -3.314 1.00 0.00 C ATOM 603 CG ARG A 38 -11.098 -16.349 -4.085 1.00 0.00 C ATOM 604 CD ARG A 38 -12.240 -15.911 -3.201 1.00 0.00 C ATOM 605 NE ARG A 38 -13.312 -15.295 -3.980 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.077 -14.268 -3.584 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.857 -13.663 -2.415 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.040 -13.839 -4.380 1.00 0.00 N ATOM 0 H ARG A 38 -10.597 -16.188 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.113 -16.696 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.331 -17.559 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.403 -17.801 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.698 -15.480 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.478 -17.031 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.631 -16.771 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.875 -15.202 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.494 -15.680 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.099 -13.981 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.447 -12.883 -2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.194 -14.288 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.630 -13.058 -4.092 1.00 0.00 H new ATOM 622 N ARG A 39 -9.558 -13.806 -2.666 1.00 0.00 N ATOM 623 CA ARG A 39 -9.396 -12.435 -3.103 1.00 0.00 C ATOM 624 C ARG A 39 -7.992 -11.935 -2.725 1.00 0.00 C ATOM 625 O ARG A 39 -7.406 -11.083 -3.407 1.00 0.00 O ATOM 626 CB ARG A 39 -10.470 -11.574 -2.430 1.00 0.00 C ATOM 627 CG ARG A 39 -10.302 -10.085 -2.636 1.00 0.00 C ATOM 628 CD ARG A 39 -11.303 -9.283 -1.826 1.00 0.00 C ATOM 629 NE ARG A 39 -12.665 -9.389 -2.340 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.634 -8.488 -2.123 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.460 -7.520 -1.226 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.779 -8.588 -2.778 1.00 0.00 N ATOM 0 H ARG A 39 -10.312 -13.934 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.506 -12.370 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.447 -11.872 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.467 -11.782 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.290 -9.792 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.420 -9.850 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.283 -9.625 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.002 -8.235 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.896 -10.207 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.587 -7.462 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.199 -6.836 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.921 -9.348 -3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.520 -7.906 -2.617 1.00 0.00 H new ATOM 646 N MET A 40 -7.453 -12.512 -1.662 1.00 0.00 N ATOM 647 CA MET A 40 -6.147 -12.163 -1.158 1.00 0.00 C ATOM 648 C MET A 40 -5.045 -12.452 -2.144 1.00 0.00 C ATOM 649 O MET A 40 -4.205 -11.602 -2.346 1.00 0.00 O ATOM 650 CB MET A 40 -5.881 -12.809 0.216 1.00 0.00 C ATOM 651 CG MET A 40 -4.416 -12.829 0.692 1.00 0.00 C ATOM 652 SD MET A 40 -3.560 -11.241 0.556 1.00 0.00 S ATOM 653 CE MET A 40 -4.707 -10.136 1.330 1.00 0.00 C ATOM 0 H MET A 40 -7.920 -13.242 -1.124 1.00 0.00 H new ATOM 0 HA MET A 40 -6.145 -11.082 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.475 -12.282 0.962 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.245 -13.836 0.187 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.390 -13.153 1.732 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.869 -13.573 0.112 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.757 -9.207 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.694 -10.598 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.377 -9.922 2.346 1.00 0.00 H new ATOM 663 N GLU A 41 -5.086 -13.603 -2.826 1.00 0.00 N ATOM 664 CA GLU A 41 -3.986 -13.945 -3.740 1.00 0.00 C ATOM 665 C GLU A 41 -3.875 -12.885 -4.829 1.00 0.00 C ATOM 666 O GLU A 41 -2.790 -12.531 -5.231 1.00 0.00 O ATOM 667 CB GLU A 41 -4.133 -15.348 -4.367 1.00 0.00 C ATOM 668 CG GLU A 41 -5.220 -15.455 -5.415 1.00 0.00 C ATOM 669 CD GLU A 41 -5.349 -16.834 -5.997 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.917 -17.711 -5.351 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.898 -17.054 -7.148 1.00 0.00 O ATOM 0 H GLU A 41 -5.837 -14.291 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.071 -13.968 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.182 -15.633 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.338 -16.067 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.173 -15.164 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.013 -14.747 -6.218 1.00 0.00 H new ATOM 678 N ASN A 42 -5.020 -12.338 -5.203 1.00 0.00 N ATOM 679 CA ASN A 42 -5.144 -11.303 -6.210 1.00 0.00 C ATOM 680 C ASN A 42 -4.610 -9.974 -5.679 1.00 0.00 C ATOM 681 O ASN A 42 -3.830 -9.287 -6.338 1.00 0.00 O ATOM 682 CB ASN A 42 -6.630 -11.201 -6.606 1.00 0.00 C ATOM 683 CG ASN A 42 -7.013 -9.937 -7.350 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.913 -9.856 -8.570 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.527 -8.970 -6.623 1.00 0.00 N ATOM 0 H ASN A 42 -5.916 -12.613 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.551 -11.552 -7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.884 -12.060 -7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.236 -11.270 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.859 -8.116 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.594 -9.073 -5.610 1.00 0.00 H new ATOM 692 N LEU A 43 -4.998 -9.652 -4.466 1.00 0.00 N ATOM 693 CA LEU A 43 -4.594 -8.413 -3.817 1.00 0.00 C ATOM 694 C LEU A 43 -3.122 -8.382 -3.511 1.00 0.00 C ATOM 695 O LEU A 43 -2.453 -7.395 -3.787 1.00 0.00 O ATOM 696 CB LEU A 43 -5.398 -8.204 -2.556 1.00 0.00 C ATOM 697 CG LEU A 43 -6.876 -7.988 -2.763 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.586 -7.893 -1.423 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.097 -6.739 -3.591 1.00 0.00 C ATOM 0 H LEU A 43 -5.605 -10.240 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.793 -7.599 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.261 -9.071 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.993 -7.343 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.295 -8.837 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.652 -7.737 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.436 -8.817 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.180 -7.056 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.166 -6.585 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.675 -5.879 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.609 -6.853 -4.559 1.00 0.00 H new ATOM 711 N VAL A 44 -2.606 -9.459 -2.975 1.00 0.00 N ATOM 712 CA VAL A 44 -1.215 -9.507 -2.632 1.00 0.00 C ATOM 713 C VAL A 44 -0.360 -9.611 -3.899 1.00 0.00 C ATOM 714 O VAL A 44 0.726 -9.056 -3.957 1.00 0.00 O ATOM 715 CB VAL A 44 -0.890 -10.629 -1.601 1.00 0.00 C ATOM 716 CG1 VAL A 44 -1.013 -12.021 -2.172 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.449 -10.411 -0.939 1.00 0.00 C ATOM 0 H VAL A 44 -3.129 -10.310 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.963 -8.572 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.656 -10.555 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.773 -12.753 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.033 -12.182 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.322 -12.134 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.638 -11.215 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.233 -10.405 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.444 -9.456 -0.414 1.00 0.00 H new ATOM 727 N ALA A 45 -0.892 -10.277 -4.933 1.00 0.00 N ATOM 728 CA ALA A 45 -0.212 -10.355 -6.232 1.00 0.00 C ATOM 729 C ALA A 45 -0.063 -8.947 -6.809 1.00 0.00 C ATOM 730 O ALA A 45 1.003 -8.574 -7.324 1.00 0.00 O ATOM 731 CB ALA A 45 -0.972 -11.258 -7.204 1.00 0.00 C ATOM 0 H ALA A 45 -1.786 -10.767 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 45 0.775 -10.794 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.443 -11.295 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.041 -12.263 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.975 -10.861 -7.361 1.00 0.00 H new ATOM 737 N TYR A 46 -1.140 -8.171 -6.703 1.00 0.00 N ATOM 738 CA TYR A 46 -1.151 -6.754 -7.069 1.00 0.00 C ATOM 739 C TYR A 46 -0.165 -5.989 -6.208 1.00 0.00 C ATOM 740 O TYR A 46 0.674 -5.289 -6.724 1.00 0.00 O ATOM 741 CB TYR A 46 -2.597 -6.162 -6.923 1.00 0.00 C ATOM 742 CG TYR A 46 -2.676 -4.630 -6.751 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.609 -4.054 -5.478 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.803 -3.776 -7.834 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.656 -2.687 -5.294 1.00 0.00 C ATOM 746 CE2 TYR A 46 -2.845 -2.399 -7.651 1.00 0.00 C ATOM 747 CZ TYR A 46 -2.770 -1.863 -6.383 1.00 0.00 C ATOM 748 OH TYR A 46 -2.787 -0.488 -6.210 1.00 0.00 O ATOM 0 H TYR A 46 -2.038 -8.510 -6.358 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.849 -6.655 -8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.175 -6.441 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.077 -6.631 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.518 -4.697 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.870 -4.185 -8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.603 -2.270 -4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.937 -1.746 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.031 -0.055 -7.055 1.00 0.00 H new ATOM 758 N ALA A 47 -0.256 -6.150 -4.913 1.00 0.00 N ATOM 759 CA ALA A 47 0.582 -5.409 -3.997 1.00 0.00 C ATOM 760 C ALA A 47 2.066 -5.666 -4.268 1.00 0.00 C ATOM 761 O ALA A 47 2.859 -4.741 -4.310 1.00 0.00 O ATOM 762 CB ALA A 47 0.197 -5.725 -2.570 1.00 0.00 C ATOM 0 H ALA A 47 -0.907 -6.793 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 47 0.420 -4.343 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.834 -5.162 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.845 -5.449 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.323 -6.792 -2.387 1.00 0.00 H new ATOM 768 N LYS A 48 2.405 -6.915 -4.520 1.00 0.00 N ATOM 769 CA LYS A 48 3.766 -7.308 -4.856 1.00 0.00 C ATOM 770 C LYS A 48 4.235 -6.716 -6.175 1.00 0.00 C ATOM 771 O LYS A 48 5.376 -6.259 -6.283 1.00 0.00 O ATOM 772 CB LYS A 48 3.860 -8.809 -4.932 1.00 0.00 C ATOM 773 CG LYS A 48 3.789 -9.487 -3.597 1.00 0.00 C ATOM 774 CD LYS A 48 3.681 -10.973 -3.766 1.00 0.00 C ATOM 775 CE LYS A 48 3.929 -11.687 -2.457 1.00 0.00 C ATOM 776 NZ LYS A 48 5.299 -11.437 -1.946 1.00 0.00 N ATOM 0 H LYS A 48 1.744 -7.692 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 48 4.412 -6.921 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.053 -9.183 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.797 -9.081 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.677 -9.245 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.929 -9.115 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.690 -11.229 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.401 -11.311 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.199 -11.356 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.781 -12.758 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.587 -12.222 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.960 -11.366 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.311 -10.548 -1.407 1.00 0.00 H new ATOM 790 N LYS A 49 3.372 -6.731 -7.172 1.00 0.00 N ATOM 791 CA LYS A 49 3.739 -6.235 -8.487 1.00 0.00 C ATOM 792 C LYS A 49 3.888 -4.706 -8.455 1.00 0.00 C ATOM 793 O LYS A 49 4.767 -4.131 -9.114 1.00 0.00 O ATOM 794 CB LYS A 49 2.717 -6.693 -9.545 1.00 0.00 C ATOM 795 CG LYS A 49 1.381 -6.065 -9.476 1.00 0.00 C ATOM 796 CD LYS A 49 0.454 -6.684 -10.475 1.00 0.00 C ATOM 797 CE LYS A 49 -0.663 -5.742 -10.815 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.166 -4.538 -11.532 1.00 0.00 N ATOM 0 H LYS A 49 2.416 -7.079 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 49 4.704 -6.655 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.136 -6.499 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.593 -7.772 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.971 -6.179 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.466 -4.995 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.006 -6.944 -11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.045 -7.611 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.398 -6.257 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.173 -5.437 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.886 -4.215 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.028 -3.781 -10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.708 -4.774 -12.043 1.00 0.00 H new ATOM 812 N VAL A 50 3.043 -4.071 -7.660 1.00 0.00 N ATOM 813 CA VAL A 50 3.081 -2.640 -7.452 1.00 0.00 C ATOM 814 C VAL A 50 4.375 -2.273 -6.753 1.00 0.00 C ATOM 815 O VAL A 50 5.120 -1.412 -7.221 1.00 0.00 O ATOM 816 CB VAL A 50 1.848 -2.180 -6.612 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.952 -0.738 -6.173 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.599 -2.349 -7.419 1.00 0.00 C ATOM 0 H VAL A 50 2.305 -4.543 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 50 3.039 -2.131 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 50 1.821 -2.802 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.069 -0.470 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.843 -0.608 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.019 -0.095 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.261 -2.027 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.666 -1.745 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.481 -3.398 -7.691 1.00 0.00 H new ATOM 828 N GLU A 51 4.651 -2.995 -5.676 1.00 0.00 N ATOM 829 CA GLU A 51 5.838 -2.821 -4.856 1.00 0.00 C ATOM 830 C GLU A 51 7.076 -2.939 -5.733 1.00 0.00 C ATOM 831 O GLU A 51 7.889 -2.029 -5.773 1.00 0.00 O ATOM 832 CB GLU A 51 5.807 -3.892 -3.741 1.00 0.00 C ATOM 833 CG GLU A 51 6.880 -3.823 -2.649 1.00 0.00 C ATOM 834 CD GLU A 51 8.265 -4.296 -3.076 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.364 -5.233 -3.886 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.266 -3.769 -2.576 1.00 0.00 O ATOM 0 H GLU A 51 4.038 -3.738 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 51 5.864 -1.835 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.832 -3.841 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.876 -4.871 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.956 -2.793 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.553 -4.424 -1.801 1.00 0.00 H new ATOM 843 N GLY A 52 7.147 -4.027 -6.500 1.00 0.00 N ATOM 844 CA GLY A 52 8.274 -4.277 -7.378 1.00 0.00 C ATOM 845 C GLY A 52 8.490 -3.174 -8.390 1.00 0.00 C ATOM 846 O GLY A 52 9.628 -2.801 -8.678 1.00 0.00 O ATOM 0 H GLY A 52 6.428 -4.750 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.176 -4.394 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.116 -5.219 -7.903 1.00 0.00 H new ATOM 850 N ASP A 53 7.405 -2.640 -8.913 1.00 0.00 N ATOM 851 CA ASP A 53 7.474 -1.556 -9.886 1.00 0.00 C ATOM 852 C ASP A 53 8.131 -0.311 -9.278 1.00 0.00 C ATOM 853 O ASP A 53 9.134 0.201 -9.791 1.00 0.00 O ATOM 854 CB ASP A 53 6.082 -1.216 -10.395 1.00 0.00 C ATOM 855 CG ASP A 53 6.086 -0.113 -11.435 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.616 -0.325 -12.571 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.567 0.975 -11.152 1.00 0.00 O ATOM 0 H ASP A 53 6.457 -2.938 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 53 8.087 -1.891 -10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.629 -2.110 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.457 -0.913 -9.555 1.00 0.00 H new ATOM 862 N MET A 54 7.599 0.131 -8.165 1.00 0.00 N ATOM 863 CA MET A 54 8.124 1.318 -7.465 1.00 0.00 C ATOM 864 C MET A 54 9.476 1.092 -6.841 1.00 0.00 C ATOM 865 O MET A 54 10.257 2.027 -6.702 1.00 0.00 O ATOM 866 CB MET A 54 7.125 1.905 -6.467 1.00 0.00 C ATOM 867 CG MET A 54 6.367 0.919 -5.645 1.00 0.00 C ATOM 868 SD MET A 54 4.636 1.437 -5.460 1.00 0.00 S ATOM 869 CE MET A 54 4.139 1.686 -7.178 1.00 0.00 C ATOM 0 H MET A 54 6.798 -0.304 -7.708 1.00 0.00 H new ATOM 0 HA MET A 54 8.271 2.068 -8.242 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.664 2.572 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.409 2.517 -7.016 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.410 -0.064 -6.115 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.831 0.823 -4.663 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.054 1.619 -7.256 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.467 2.670 -7.513 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.596 0.919 -7.804 1.00 0.00 H new ATOM 879 N TYR A 55 9.750 -0.138 -6.491 1.00 0.00 N ATOM 880 CA TYR A 55 11.023 -0.535 -5.939 1.00 0.00 C ATOM 881 C TYR A 55 12.097 -0.274 -6.985 1.00 0.00 C ATOM 882 O TYR A 55 13.003 0.514 -6.777 1.00 0.00 O ATOM 883 CB TYR A 55 10.915 -2.025 -5.609 1.00 0.00 C ATOM 884 CG TYR A 55 12.032 -2.651 -4.834 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.226 -2.353 -3.495 1.00 0.00 C ATOM 886 CD2 TYR A 55 12.842 -3.602 -5.419 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.201 -2.988 -2.763 1.00 0.00 C ATOM 888 CE2 TYR A 55 13.833 -4.235 -4.697 1.00 0.00 C ATOM 889 CZ TYR A 55 14.006 -3.923 -3.368 1.00 0.00 C ATOM 890 OH TYR A 55 14.961 -4.581 -2.626 1.00 0.00 O ATOM 0 H TYR A 55 9.085 -0.906 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 55 11.283 0.021 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.992 -2.178 -5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.812 -2.569 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.602 -1.611 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.698 -3.855 -6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.334 -2.753 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.468 -4.969 -5.171 1.00 0.00 H new ATOM 0 HH TYR A 55 15.278 -5.365 -3.122 1.00 0.00 H new ATOM 900 N GLU A 56 11.890 -0.821 -8.158 1.00 0.00 N ATOM 901 CA GLU A 56 12.850 -0.692 -9.247 1.00 0.00 C ATOM 902 C GLU A 56 12.820 0.705 -9.884 1.00 0.00 C ATOM 903 O GLU A 56 13.768 1.099 -10.578 1.00 0.00 O ATOM 904 CB GLU A 56 12.607 -1.785 -10.281 1.00 0.00 C ATOM 905 CG GLU A 56 12.869 -3.192 -9.743 1.00 0.00 C ATOM 906 CD GLU A 56 14.341 -3.471 -9.503 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.977 -2.836 -8.635 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.893 -4.340 -10.188 1.00 0.00 O ATOM 0 H GLU A 56 11.060 -1.366 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 56 13.851 -0.816 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.576 -1.723 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.248 -1.608 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.323 -3.325 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.477 -3.924 -10.449 1.00 0.00 H new ATOM 915 N SER A 57 11.748 1.444 -9.648 1.00 0.00 N ATOM 916 CA SER A 57 11.616 2.802 -10.159 1.00 0.00 C ATOM 917 C SER A 57 12.409 3.807 -9.278 1.00 0.00 C ATOM 918 O SER A 57 12.761 4.899 -9.729 1.00 0.00 O ATOM 919 CB SER A 57 10.116 3.192 -10.213 1.00 0.00 C ATOM 920 OG SER A 57 9.895 4.428 -10.884 1.00 0.00 O ATOM 0 H SER A 57 10.949 1.124 -9.101 1.00 0.00 H new ATOM 0 HA SER A 57 12.034 2.841 -11.165 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.558 2.404 -10.718 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.725 3.259 -9.198 1.00 0.00 H new ATOM 0 HG SER A 57 8.936 4.628 -10.893 1.00 0.00 H new ATOM 926 N ALA A 58 12.723 3.424 -8.053 1.00 0.00 N ATOM 927 CA ALA A 58 13.386 4.334 -7.129 1.00 0.00 C ATOM 928 C ALA A 58 14.895 4.135 -7.079 1.00 0.00 C ATOM 929 O ALA A 58 15.424 3.128 -7.564 1.00 0.00 O ATOM 930 CB ALA A 58 12.809 4.178 -5.755 1.00 0.00 C ATOM 0 H ALA A 58 12.532 2.496 -7.675 1.00 0.00 H new ATOM 0 HA ALA A 58 13.209 5.344 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.310 4.862 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.743 4.406 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.953 3.153 -5.414 1.00 0.00 H new ATOM 936 N ASN A 59 15.586 5.111 -6.504 1.00 0.00 N ATOM 937 CA ASN A 59 17.048 5.047 -6.349 1.00 0.00 C ATOM 938 C ASN A 59 17.412 4.705 -4.910 1.00 0.00 C ATOM 939 O ASN A 59 18.583 4.722 -4.528 1.00 0.00 O ATOM 940 CB ASN A 59 17.716 6.375 -6.777 1.00 0.00 C ATOM 941 CG ASN A 59 17.739 7.464 -5.700 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.718 7.627 -4.965 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.681 8.189 -5.574 1.00 0.00 N ATOM 0 H ASN A 59 15.163 5.962 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 59 17.423 4.260 -7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.741 6.166 -7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.194 6.761 -7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.642 8.913 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.883 8.038 -6.191 1.00 0.00 H new ATOM 950 N SER A 60 16.404 4.410 -4.117 1.00 0.00 N ATOM 951 CA SER A 60 16.578 3.935 -2.770 1.00 0.00 C ATOM 952 C SER A 60 15.246 3.564 -2.246 1.00 0.00 C ATOM 953 O SER A 60 14.219 3.997 -2.786 1.00 0.00 O ATOM 954 CB SER A 60 17.191 4.963 -1.827 1.00 0.00 C ATOM 955 OG SER A 60 17.681 4.327 -0.654 1.00 0.00 O ATOM 0 H SER A 60 15.428 4.496 -4.399 1.00 0.00 H new ATOM 0 HA SER A 60 17.269 3.093 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.003 5.489 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.445 5.711 -1.559 1.00 0.00 H new ATOM 0 HG SER A 60 18.602 4.615 -0.486 1.00 0.00 H new ATOM 961 N ARG A 61 15.243 2.794 -1.186 1.00 0.00 N ATOM 962 CA ARG A 61 14.014 2.400 -0.565 1.00 0.00 C ATOM 963 C ARG A 61 13.294 3.602 0.012 1.00 0.00 C ATOM 964 O ARG A 61 12.126 3.615 0.033 1.00 0.00 O ATOM 965 CB ARG A 61 14.154 1.312 0.523 1.00 0.00 C ATOM 966 CG ARG A 61 14.923 1.695 1.787 1.00 0.00 C ATOM 967 CD ARG A 61 16.326 2.140 1.540 1.00 0.00 C ATOM 968 NE ARG A 61 17.018 2.409 2.806 1.00 0.00 N ATOM 969 CZ ARG A 61 17.907 3.401 3.016 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.280 4.194 2.020 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.416 3.587 4.220 1.00 0.00 N ATOM 0 H ARG A 61 16.084 2.429 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 61 13.430 1.951 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.153 0.995 0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.644 0.447 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.385 2.494 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.939 0.839 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.863 1.372 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.324 3.039 0.923 1.00 0.00 H new ATOM 0 HE ARG A 61 16.809 1.794 3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.894 4.056 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.953 4.942 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.137 2.980 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.088 4.337 4.379 1.00 0.00 H new ATOM 985 N ASP A 62 14.046 4.620 0.439 1.00 0.00 N ATOM 986 CA ASP A 62 13.473 5.864 1.032 1.00 0.00 C ATOM 987 C ASP A 62 12.488 6.488 0.053 1.00 0.00 C ATOM 988 O ASP A 62 11.341 6.801 0.391 1.00 0.00 O ATOM 989 CB ASP A 62 14.616 6.864 1.277 1.00 0.00 C ATOM 990 CG ASP A 62 14.169 8.173 1.912 1.00 0.00 C ATOM 991 OD1 ASP A 62 13.731 9.091 1.192 1.00 0.00 O ATOM 992 OD2 ASP A 62 14.294 8.309 3.141 1.00 0.00 O ATOM 0 H ASP A 62 15.065 4.620 0.391 1.00 0.00 H new ATOM 0 HA ASP A 62 12.964 5.624 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.362 6.397 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.105 7.081 0.327 1.00 0.00 H new ATOM 997 N GLU A 63 12.942 6.577 -1.169 1.00 0.00 N ATOM 998 CA GLU A 63 12.206 7.141 -2.267 1.00 0.00 C ATOM 999 C GLU A 63 11.068 6.235 -2.697 1.00 0.00 C ATOM 1000 O GLU A 63 9.942 6.699 -2.908 1.00 0.00 O ATOM 1001 CB GLU A 63 13.182 7.386 -3.397 1.00 0.00 C ATOM 1002 CG GLU A 63 12.580 7.748 -4.731 1.00 0.00 C ATOM 1003 CD GLU A 63 13.632 8.254 -5.650 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.016 9.437 -5.548 1.00 0.00 O ATOM 1005 OE2 GLU A 63 14.171 7.459 -6.446 1.00 0.00 O ATOM 0 H GLU A 63 13.869 6.246 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 63 11.744 8.081 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.858 8.187 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.788 6.489 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.095 6.875 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.809 8.507 -4.596 1.00 0.00 H new ATOM 1012 N TYR A 64 11.350 4.942 -2.785 1.00 0.00 N ATOM 1013 CA TYR A 64 10.359 3.975 -3.208 1.00 0.00 C ATOM 1014 C TYR A 64 9.234 3.923 -2.189 1.00 0.00 C ATOM 1015 O TYR A 64 8.062 3.893 -2.539 1.00 0.00 O ATOM 1016 CB TYR A 64 11.043 2.597 -3.441 1.00 0.00 C ATOM 1017 CG TYR A 64 10.453 1.410 -2.726 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.433 0.674 -3.288 1.00 0.00 C ATOM 1019 CD2 TYR A 64 10.933 1.027 -1.488 1.00 0.00 C ATOM 1020 CE1 TYR A 64 8.905 -0.406 -2.639 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.413 -0.049 -0.830 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.399 -0.764 -1.410 1.00 0.00 C ATOM 1023 OH TYR A 64 8.881 -1.836 -0.772 1.00 0.00 O ATOM 0 H TYR A 64 12.263 4.542 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 64 9.912 4.269 -4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.029 2.389 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.089 2.684 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.045 0.955 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 64 11.735 1.590 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.105 -0.974 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.797 -0.334 0.138 1.00 0.00 H new ATOM 0 HH TYR A 64 8.875 -2.606 -1.378 1.00 0.00 H new ATOM 1033 N TYR A 65 9.633 3.989 -0.939 1.00 0.00 N ATOM 1034 CA TYR A 65 8.768 3.976 0.197 1.00 0.00 C ATOM 1035 C TYR A 65 7.840 5.161 0.127 1.00 0.00 C ATOM 1036 O TYR A 65 6.653 5.010 0.286 1.00 0.00 O ATOM 1037 CB TYR A 65 9.636 4.064 1.433 1.00 0.00 C ATOM 1038 CG TYR A 65 8.965 3.898 2.743 1.00 0.00 C ATOM 1039 CD1 TYR A 65 7.854 3.121 2.883 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.493 4.483 3.856 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.284 2.943 4.094 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.958 4.301 5.076 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.846 3.532 5.207 1.00 0.00 C ATOM 1044 OH TYR A 65 7.318 3.316 6.449 1.00 0.00 O ATOM 0 H TYR A 65 10.619 4.056 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 65 8.168 3.067 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.415 3.306 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.133 5.034 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.425 2.642 2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.366 5.111 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.392 2.342 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.408 4.762 5.943 1.00 0.00 H new ATOM 0 HH TYR A 65 7.434 4.120 6.998 1.00 0.00 H new ATOM 1054 N HIS A 66 8.405 6.334 -0.153 1.00 0.00 N ATOM 1055 CA HIS A 66 7.632 7.563 -0.265 1.00 0.00 C ATOM 1056 C HIS A 66 6.648 7.496 -1.407 1.00 0.00 C ATOM 1057 O HIS A 66 5.476 7.688 -1.202 1.00 0.00 O ATOM 1058 CB HIS A 66 8.551 8.789 -0.427 1.00 0.00 C ATOM 1059 CG HIS A 66 7.853 10.112 -0.628 1.00 0.00 C ATOM 1060 ND1 HIS A 66 7.151 10.868 0.242 1.00 0.00 N flip ATOM 1061 CD2 HIS A 66 7.865 10.818 -1.810 1.00 0.00 C flip ATOM 1062 CE1 HIS A 66 6.734 12.034 -0.394 1.00 0.00 C flip ATOM 1063 NE2 HIS A 66 7.190 11.953 -1.622 1.00 0.00 N flip ATOM 0 H HIS A 66 9.406 6.456 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 66 7.070 7.673 0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.184 8.864 0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.211 8.615 -1.277 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.339 10.507 -2.729 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.155 12.839 0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.047 12.665 -2.339 1.00 0.00 H new ATOM 1071 N LEU A 67 7.121 7.186 -2.598 1.00 0.00 N ATOM 1072 CA LEU A 67 6.260 7.229 -3.758 1.00 0.00 C ATOM 1073 C LEU A 67 5.167 6.131 -3.716 1.00 0.00 C ATOM 1074 O LEU A 67 4.031 6.337 -4.211 1.00 0.00 O ATOM 1075 CB LEU A 67 7.088 7.288 -5.076 1.00 0.00 C ATOM 1076 CG LEU A 67 7.844 6.043 -5.522 1.00 0.00 C ATOM 1077 CD1 LEU A 67 6.957 5.179 -6.367 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.108 6.399 -6.283 1.00 0.00 C ATOM 0 H LEU A 67 8.084 6.906 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 67 5.697 8.162 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.408 7.568 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.813 8.096 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 67 8.139 5.493 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.506 4.291 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.083 4.879 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.636 5.737 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.620 5.486 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.848 6.979 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.764 6.989 -5.643 1.00 0.00 H new ATOM 1090 N LEU A 68 5.480 4.996 -3.087 1.00 0.00 N ATOM 1091 CA LEU A 68 4.491 3.946 -2.897 1.00 0.00 C ATOM 1092 C LEU A 68 3.509 4.435 -1.838 1.00 0.00 C ATOM 1093 O LEU A 68 2.296 4.301 -2.004 1.00 0.00 O ATOM 1094 CB LEU A 68 5.173 2.584 -2.513 1.00 0.00 C ATOM 1095 CG LEU A 68 5.389 2.227 -1.043 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.126 1.621 -0.458 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.532 1.265 -0.908 1.00 0.00 C ATOM 0 H LEU A 68 6.403 4.786 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 68 3.953 3.745 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.577 1.786 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.148 2.561 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 68 5.628 3.138 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.294 1.371 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.309 2.339 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.867 0.717 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.677 1.018 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.311 0.356 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.440 1.721 -1.302 1.00 0.00 H new ATOM 1109 N ALA A 69 4.055 5.031 -0.749 1.00 0.00 N ATOM 1110 CA ALA A 69 3.269 5.672 0.289 1.00 0.00 C ATOM 1111 C ALA A 69 2.300 6.701 -0.290 1.00 0.00 C ATOM 1112 O ALA A 69 1.219 6.880 0.226 1.00 0.00 O ATOM 1113 CB ALA A 69 4.180 6.328 1.309 1.00 0.00 C ATOM 0 H ALA A 69 5.061 5.071 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 69 2.678 4.899 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.577 6.805 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.821 5.573 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.798 7.079 0.816 1.00 0.00 H new ATOM 1119 N GLU A 70 2.691 7.357 -1.368 1.00 0.00 N ATOM 1120 CA GLU A 70 1.836 8.333 -2.023 1.00 0.00 C ATOM 1121 C GLU A 70 0.708 7.645 -2.777 1.00 0.00 C ATOM 1122 O GLU A 70 -0.454 8.076 -2.705 1.00 0.00 O ATOM 1123 CB GLU A 70 2.603 9.168 -3.008 1.00 0.00 C ATOM 1124 CG GLU A 70 3.849 9.797 -2.473 1.00 0.00 C ATOM 1125 CD GLU A 70 4.452 10.714 -3.488 1.00 0.00 C ATOM 1126 OE1 GLU A 70 5.141 10.221 -4.423 1.00 0.00 O ATOM 1127 OE2 GLU A 70 4.216 11.938 -3.426 1.00 0.00 O ATOM 0 H GLU A 70 3.601 7.231 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 70 1.434 8.971 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.868 8.544 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.948 9.956 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.621 10.352 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.567 9.023 -2.202 1.00 0.00 H new ATOM 1134 N LYS A 71 1.027 6.579 -3.513 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.019 5.908 -4.253 1.00 0.00 C ATOM 1136 C LYS A 71 -0.976 5.203 -3.303 1.00 0.00 C ATOM 1137 O LYS A 71 -2.177 5.229 -3.497 1.00 0.00 O ATOM 1138 CB LYS A 71 0.509 5.005 -5.429 1.00 0.00 C ATOM 1139 CG LYS A 71 1.179 3.647 -5.097 1.00 0.00 C ATOM 1140 CD LYS A 71 0.176 2.524 -4.721 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.962 2.324 -5.757 1.00 0.00 C ATOM 1142 NZ LYS A 71 -0.509 1.893 -7.109 1.00 0.00 N ATOM 0 H LYS A 71 1.962 6.182 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.594 6.674 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.333 4.802 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.227 5.595 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.766 3.323 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.876 3.789 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.721 1.587 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.265 2.754 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.660 1.582 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.513 3.259 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.286 2.012 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.302 2.473 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.226 0.893 -7.078 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.446 4.631 -2.237 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.289 3.982 -1.258 1.00 0.00 C ATOM 1158 C ILE A 72 -2.142 5.052 -0.535 1.00 0.00 C ATOM 1159 O ILE A 72 -3.313 4.840 -0.266 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.471 3.097 -0.253 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.387 2.284 0.607 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.436 3.893 0.620 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.695 1.567 1.749 1.00 0.00 C ATOM 0 H ILE A 72 0.553 4.604 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.954 3.290 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 72 0.148 2.442 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.157 2.937 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.893 1.547 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.973 3.224 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.150 4.437 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.151 4.601 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.430 1.002 2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.056 0.885 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.213 2.298 2.398 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.533 6.222 -0.302 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.191 7.402 0.269 1.00 0.00 C ATOM 1177 C TYR A 73 -3.444 7.742 -0.519 1.00 0.00 C ATOM 1178 O TYR A 73 -4.560 7.807 0.058 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.166 8.586 0.242 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.676 10.032 0.280 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -2.169 10.635 -0.864 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.602 10.797 1.425 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.577 11.941 -0.869 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.022 12.120 1.430 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.506 12.682 0.273 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.921 13.998 0.253 1.00 0.00 O ATOM 0 H TYR A 73 -0.547 6.377 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.500 7.207 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.494 8.455 1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.565 8.476 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.233 10.060 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.211 10.360 2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.955 12.385 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.969 12.704 2.337 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.809 14.390 1.144 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.278 7.904 -1.825 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.358 8.340 -2.678 1.00 0.00 C ATOM 1198 C LYS A 74 -5.407 7.269 -2.800 1.00 0.00 C ATOM 1199 O LYS A 74 -6.564 7.576 -2.926 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.866 8.790 -4.060 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.435 7.670 -4.991 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.923 8.199 -6.321 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.656 9.023 -6.155 1.00 0.00 C ATOM 1204 NZ LYS A 74 -1.148 9.503 -7.445 1.00 0.00 N ATOM 0 H LYS A 74 -2.398 7.737 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.808 9.213 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.661 9.357 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.026 9.471 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.654 7.080 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.277 7.001 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.727 7.363 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.694 8.810 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.858 9.874 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.892 8.420 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.284 10.061 -7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.932 8.690 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.868 10.099 -7.902 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.988 6.013 -2.740 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.902 4.908 -2.810 1.00 0.00 C ATOM 1220 C ILE A 75 -6.855 4.941 -1.611 1.00 0.00 C ATOM 1221 O ILE A 75 -8.080 4.877 -1.780 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.140 3.526 -2.928 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.966 3.065 -4.394 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.820 2.429 -2.137 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.331 4.061 -5.342 1.00 0.00 C ATOM 0 H ILE A 75 -4.009 5.744 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.497 5.006 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.152 3.707 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.362 2.157 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.947 2.797 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.261 1.500 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.854 2.708 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.835 2.288 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.263 3.623 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.941 4.964 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.332 4.314 -4.988 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.273 5.139 -0.424 1.00 0.00 N ATOM 1238 CA GLN A 76 -7.025 5.152 0.823 1.00 0.00 C ATOM 1239 C GLN A 76 -8.079 6.221 0.796 1.00 0.00 C ATOM 1240 O GLN A 76 -9.275 5.967 1.009 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.100 5.387 2.024 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.013 4.362 2.144 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.355 4.330 3.507 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -4.976 4.637 4.524 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.106 3.944 3.547 1.00 0.00 N ATOM 0 H GLN A 76 -5.272 5.294 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.500 4.177 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.650 6.376 1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.694 5.385 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.428 3.378 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.253 4.561 1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.621 3.697 2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.617 3.890 4.441 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.654 7.409 0.481 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.562 8.512 0.490 1.00 0.00 C ATOM 1256 C LYS A 77 -9.518 8.510 -0.674 1.00 0.00 C ATOM 1257 O LYS A 77 -10.615 8.972 -0.520 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.835 9.823 0.676 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.655 9.995 -0.241 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.733 11.074 0.243 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.348 10.905 1.729 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.048 9.521 2.143 1.00 0.00 N ATOM 0 H LYS A 77 -6.695 7.636 0.218 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.203 8.386 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.534 10.643 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.495 9.896 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.109 9.054 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.005 10.238 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.828 11.073 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.210 12.044 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.477 11.527 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.164 11.284 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.828 9.156 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.937 8.923 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.167 9.507 2.695 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.120 7.934 -1.816 1.00 0.00 N ATOM 1277 CA GLU A 78 -10.000 7.877 -2.982 1.00 0.00 C ATOM 1278 C GLU A 78 -11.227 7.062 -2.636 1.00 0.00 C ATOM 1279 O GLU A 78 -12.348 7.548 -2.763 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.300 7.235 -4.190 1.00 0.00 C ATOM 1281 CG GLU A 78 -10.031 7.415 -5.512 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.212 8.867 -5.879 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.231 9.528 -6.257 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.337 9.371 -5.827 1.00 0.00 O ATOM 0 H GLU A 78 -8.204 7.506 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.274 8.898 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.300 7.659 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.178 6.169 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.475 6.910 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.007 6.934 -5.452 1.00 0.00 H new ATOM 1291 N LEU A 79 -11.010 5.843 -2.126 1.00 0.00 N ATOM 1292 CA LEU A 79 -12.122 4.979 -1.772 1.00 0.00 C ATOM 1293 C LEU A 79 -12.972 5.608 -0.682 1.00 0.00 C ATOM 1294 O LEU A 79 -14.202 5.674 -0.804 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.650 3.528 -1.429 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.662 3.317 -0.257 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.370 3.169 1.089 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.766 2.128 -0.528 1.00 0.00 C ATOM 0 H LEU A 79 -10.086 5.445 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.763 4.876 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.539 2.934 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.191 3.111 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.048 4.215 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.630 3.023 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.948 4.069 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.038 2.308 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.077 1.994 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.376 1.232 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.199 2.301 -1.443 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.307 6.151 0.322 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.956 6.752 1.453 1.00 0.00 C ATOM 1312 C GLU A 80 -13.809 7.967 1.041 1.00 0.00 C ATOM 1313 O GLU A 80 -15.032 8.006 1.286 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.864 7.170 2.423 1.00 0.00 C ATOM 1315 CG GLU A 80 -12.052 6.695 3.839 1.00 0.00 C ATOM 1316 CD GLU A 80 -13.132 7.430 4.583 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -12.823 8.477 5.214 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -14.287 6.976 4.573 1.00 0.00 O ATOM 0 H GLU A 80 -11.288 6.183 0.367 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.639 6.038 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.909 6.795 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.800 8.258 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.290 5.631 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.111 6.806 4.378 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.203 8.908 0.343 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.876 10.141 0.030 1.00 0.00 C ATOM 1327 C GLU A 81 -14.887 10.003 -1.079 1.00 0.00 C ATOM 1328 O GLU A 81 -15.903 10.688 -1.061 1.00 0.00 O ATOM 1329 CB GLU A 81 -12.922 11.299 -0.262 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.163 11.254 -1.575 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.337 12.501 -1.777 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -11.917 13.578 -2.060 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -10.111 12.455 -1.620 1.00 0.00 O ATOM 0 H GLU A 81 -12.250 8.837 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.418 10.387 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.496 12.225 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.194 11.350 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.513 10.379 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.867 11.144 -2.400 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.616 9.159 -2.054 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.533 9.017 -3.157 1.00 0.00 C ATOM 1342 C LYS A 82 -16.774 8.211 -2.713 1.00 0.00 C ATOM 1343 O LYS A 82 -17.873 8.412 -3.235 1.00 0.00 O ATOM 1344 CB LYS A 82 -14.811 8.480 -4.438 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.857 6.979 -4.690 1.00 0.00 C ATOM 1346 CD LYS A 82 -16.090 6.645 -5.526 1.00 0.00 C ATOM 1347 CE LYS A 82 -16.264 5.169 -5.762 1.00 0.00 C ATOM 1348 NZ LYS A 82 -17.437 4.905 -6.628 1.00 0.00 N ATOM 0 H LYS A 82 -13.783 8.573 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.909 9.996 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.244 8.981 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.765 8.781 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.954 6.658 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.889 6.440 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.977 7.033 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.018 7.154 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.366 4.763 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.389 4.657 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.536 3.880 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.296 5.273 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.304 5.376 -7.546 1.00 0.00 H new ATOM 1587 N THR B 110 1.310 12.124 7.173 1.00 0.00 N ATOM 1588 CA THR B 110 0.527 11.366 8.107 1.00 0.00 C ATOM 1589 C THR B 110 0.542 9.873 7.717 1.00 0.00 C ATOM 1590 O THR B 110 0.712 8.996 8.560 1.00 0.00 O ATOM 1591 CB THR B 110 -0.902 11.915 8.108 1.00 0.00 C ATOM 1592 OG1 THR B 110 -0.830 13.349 8.242 1.00 0.00 O ATOM 1593 CG2 THR B 110 -1.696 11.353 9.268 1.00 0.00 C ATOM 0 HA THR B 110 0.947 11.456 9.109 1.00 0.00 H new ATOM 0 HB THR B 110 -1.398 11.629 7.180 1.00 0.00 H new ATOM 0 HG1 THR B 110 -0.069 13.688 7.725 1.00 0.00 H new ATOM 0 HG21 THR B 110 -2.708 11.758 9.247 1.00 0.00 H new ATOM 0 HG22 THR B 110 -1.738 10.267 9.188 1.00 0.00 H new ATOM 0 HG23 THR B 110 -1.214 11.629 10.206 1.00 0.00 H new ATOM 1601 N LEU B 111 0.439 9.611 6.426 1.00 0.00 N ATOM 1602 CA LEU B 111 0.467 8.246 5.914 1.00 0.00 C ATOM 1603 C LEU B 111 1.846 7.645 6.122 1.00 0.00 C ATOM 1604 O LEU B 111 1.976 6.485 6.527 1.00 0.00 O ATOM 1605 CB LEU B 111 0.068 8.191 4.419 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.441 8.283 4.062 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.187 7.056 4.553 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.095 9.544 4.612 1.00 0.00 C ATOM 0 H LEU B 111 0.335 10.327 5.707 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.266 7.660 6.468 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.582 9.004 3.906 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.453 7.259 4.005 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.501 8.330 2.975 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.242 7.143 4.292 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.769 6.165 4.085 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.087 6.978 5.636 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.149 9.558 4.334 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.006 9.556 5.698 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.599 10.422 4.198 1.00 0.00 H new ATOM 1620 N GLN B 112 2.865 8.463 5.889 1.00 0.00 N ATOM 1621 CA GLN B 112 4.250 8.062 6.067 1.00 0.00 C ATOM 1622 C GLN B 112 4.534 7.757 7.528 1.00 0.00 C ATOM 1623 O GLN B 112 5.274 6.825 7.848 1.00 0.00 O ATOM 1624 CB GLN B 112 5.191 9.157 5.608 1.00 0.00 C ATOM 1625 CG GLN B 112 5.036 9.583 4.164 1.00 0.00 C ATOM 1626 CD GLN B 112 6.006 10.687 3.797 1.00 0.00 C ATOM 1627 OE1 GLN B 112 7.178 10.661 4.381 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 5.712 11.542 2.971 1.00 0.00 N flip ATOM 0 H GLN B 112 2.751 9.425 5.570 1.00 0.00 H new ATOM 0 HA GLN B 112 4.413 7.167 5.466 1.00 0.00 H new ATOM 0 HB2 GLN B 112 5.044 10.030 6.244 1.00 0.00 H new ATOM 0 HB3 GLN B 112 6.216 8.820 5.762 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.198 8.725 3.512 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.015 9.924 3.993 1.00 0.00 H new ATOM 0 HE21 GLN B 112 4.790 11.534 2.535 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.389 12.262 2.719 1.00 0.00 H new ATOM 1637 N ASP B 113 3.966 8.559 8.406 1.00 0.00 N ATOM 1638 CA ASP B 113 4.118 8.362 9.833 1.00 0.00 C ATOM 1639 C ASP B 113 3.521 7.044 10.254 1.00 0.00 C ATOM 1640 O ASP B 113 4.195 6.243 10.900 1.00 0.00 O ATOM 1641 CB ASP B 113 3.505 9.502 10.639 1.00 0.00 C ATOM 1642 CG ASP B 113 3.634 9.272 12.129 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.718 9.541 12.699 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.666 8.816 12.755 1.00 0.00 O ATOM 0 H ASP B 113 3.389 9.361 8.152 1.00 0.00 H new ATOM 0 HA ASP B 113 5.188 8.351 10.043 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.994 10.439 10.373 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.452 9.606 10.377 1.00 0.00 H new ATOM 1649 N LEU B 114 2.276 6.794 9.857 1.00 0.00 N ATOM 1650 CA LEU B 114 1.611 5.524 10.174 1.00 0.00 C ATOM 1651 C LEU B 114 2.381 4.336 9.606 1.00 0.00 C ATOM 1652 O LEU B 114 2.568 3.329 10.303 1.00 0.00 O ATOM 1653 CB LEU B 114 0.125 5.500 9.744 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.915 6.128 10.720 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.945 5.377 12.042 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -0.662 7.607 10.965 1.00 0.00 C ATOM 0 H LEU B 114 1.707 7.447 9.318 1.00 0.00 H new ATOM 0 HA LEU B 114 1.614 5.435 11.260 1.00 0.00 H new ATOM 0 HB2 LEU B 114 0.043 6.016 8.787 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -0.159 4.462 9.572 1.00 0.00 H new ATOM 0 HG LEU B 114 -1.888 6.037 10.237 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -1.679 5.836 12.705 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -1.218 4.337 11.863 1.00 0.00 H new ATOM 0 HD13 LEU B 114 0.040 5.419 12.507 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.414 7.996 11.651 1.00 0.00 H new ATOM 0 HD22 LEU B 114 0.329 7.740 11.399 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -0.719 8.147 10.020 1.00 0.00 H new ATOM 1668 N LEU B 115 2.865 4.480 8.363 1.00 0.00 N ATOM 1669 CA LEU B 115 3.718 3.475 7.728 1.00 0.00 C ATOM 1670 C LEU B 115 4.873 3.115 8.628 1.00 0.00 C ATOM 1671 O LEU B 115 4.971 2.002 9.115 1.00 0.00 O ATOM 1672 CB LEU B 115 4.345 4.011 6.440 1.00 0.00 C ATOM 1673 CG LEU B 115 3.587 3.931 5.142 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.397 4.641 4.096 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.406 2.490 4.719 1.00 0.00 C ATOM 0 H LEU B 115 2.675 5.293 7.776 1.00 0.00 H new ATOM 0 HA LEU B 115 3.080 2.615 7.525 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.587 5.060 6.610 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.289 3.486 6.296 1.00 0.00 H new ATOM 0 HG LEU B 115 2.604 4.385 5.263 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.873 4.601 3.141 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.538 5.681 4.389 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.369 4.157 3.998 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.856 2.453 3.779 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.383 2.024 4.587 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.849 1.953 5.487 1.00 0.00 H new ATOM 1687 N THR B 116 5.692 4.107 8.885 1.00 0.00 N ATOM 1688 CA THR B 116 6.938 3.959 9.590 1.00 0.00 C ATOM 1689 C THR B 116 6.733 3.544 11.056 1.00 0.00 C ATOM 1690 O THR B 116 7.581 2.848 11.648 1.00 0.00 O ATOM 1691 CB THR B 116 7.725 5.268 9.462 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.696 5.650 8.067 1.00 0.00 O ATOM 1693 CG2 THR B 116 9.170 5.077 9.870 1.00 0.00 C ATOM 0 H THR B 116 5.502 5.068 8.600 1.00 0.00 H new ATOM 0 HA THR B 116 7.511 3.148 9.141 1.00 0.00 H new ATOM 0 HB THR B 116 7.280 6.025 10.108 1.00 0.00 H new ATOM 0 HG1 THR B 116 6.915 6.217 7.899 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.704 6.022 9.769 1.00 0.00 H new ATOM 0 HG22 THR B 116 9.214 4.744 10.907 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.633 4.328 9.228 1.00 0.00 H new ATOM 1701 N SER B 117 5.611 3.925 11.624 1.00 0.00 N ATOM 1702 CA SER B 117 5.295 3.519 12.964 1.00 0.00 C ATOM 1703 C SER B 117 5.029 2.018 13.004 1.00 0.00 C ATOM 1704 O SER B 117 5.476 1.327 13.914 1.00 0.00 O ATOM 1705 CB SER B 117 4.115 4.311 13.502 1.00 0.00 C ATOM 1706 OG SER B 117 4.415 5.701 13.476 1.00 0.00 O ATOM 0 H SER B 117 4.908 4.513 11.176 1.00 0.00 H new ATOM 0 HA SER B 117 6.148 3.729 13.610 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.227 4.110 12.903 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.889 3.997 14.521 1.00 0.00 H new ATOM 0 HG SER B 117 4.477 6.005 12.546 1.00 0.00 H new ATOM 1712 N ASP B 118 4.339 1.510 12.013 1.00 0.00 N ATOM 1713 CA ASP B 118 4.099 0.086 11.953 1.00 0.00 C ATOM 1714 C ASP B 118 5.334 -0.672 11.497 1.00 0.00 C ATOM 1715 O ASP B 118 5.738 -1.628 12.139 1.00 0.00 O ATOM 1716 CB ASP B 118 2.898 -0.291 11.079 1.00 0.00 C ATOM 1717 CG ASP B 118 1.556 0.051 11.681 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.226 -0.474 12.751 1.00 0.00 O ATOM 1719 OD2 ASP B 118 0.788 0.835 11.076 1.00 0.00 O ATOM 0 H ASP B 118 3.938 2.050 11.246 1.00 0.00 H new ATOM 0 HA ASP B 118 3.858 -0.210 12.974 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.991 0.215 10.118 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.931 -1.362 10.880 1.00 0.00 H new ATOM 1724 N SER B 119 5.964 -0.217 10.429 1.00 0.00 N ATOM 1725 CA SER B 119 7.066 -0.949 9.827 1.00 0.00 C ATOM 1726 C SER B 119 8.368 -0.878 10.647 1.00 0.00 C ATOM 1727 O SER B 119 8.923 -1.904 11.046 1.00 0.00 O ATOM 1728 CB SER B 119 7.304 -0.394 8.415 1.00 0.00 C ATOM 1729 OG SER B 119 7.544 1.015 8.461 1.00 0.00 O ATOM 0 H SER B 119 5.731 0.658 9.959 1.00 0.00 H new ATOM 0 HA SER B 119 6.786 -2.002 9.796 1.00 0.00 H new ATOM 0 HB2 SER B 119 8.156 -0.899 7.959 1.00 0.00 H new ATOM 0 HB3 SER B 119 6.438 -0.600 7.787 1.00 0.00 H new ATOM 0 HG SER B 119 6.690 1.490 8.539 1.00 0.00 H new ATOM 1958 N MET B 141 -14.231 0.980 -5.925 1.00 0.00 N ATOM 1959 CA MET B 141 -12.955 1.399 -6.433 1.00 0.00 C ATOM 1960 C MET B 141 -12.272 0.277 -7.230 1.00 0.00 C ATOM 1961 O MET B 141 -11.325 0.511 -7.993 1.00 0.00 O ATOM 1962 CB MET B 141 -12.107 1.795 -5.234 1.00 0.00 C ATOM 1963 CG MET B 141 -10.793 2.399 -5.585 1.00 0.00 C ATOM 1964 SD MET B 141 -9.814 2.785 -4.154 1.00 0.00 S ATOM 1965 CE MET B 141 -8.411 3.501 -4.947 1.00 0.00 C ATOM 0 HA MET B 141 -13.080 2.237 -7.119 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.668 2.504 -4.625 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.935 0.912 -4.618 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.240 1.710 -6.224 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.958 3.308 -6.164 1.00 0.00 H new ATOM 0 HE1 MET B 141 -7.640 3.708 -4.205 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.021 2.808 -5.692 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.704 4.431 -5.435 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.786 -0.920 -7.069 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.234 -2.123 -7.648 1.00 0.00 C ATOM 1977 C GLU B 142 -12.107 -2.033 -9.170 1.00 0.00 C ATOM 1978 O GLU B 142 -11.239 -2.643 -9.730 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.003 -3.368 -7.144 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.317 -4.728 -7.334 1.00 0.00 C ATOM 1981 CD GLU B 142 -12.646 -5.397 -8.656 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -13.682 -5.048 -9.270 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -11.923 -6.349 -9.056 1.00 0.00 O ATOM 0 H GLU B 142 -13.625 -1.089 -6.515 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.207 -2.235 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -13.206 -3.235 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.967 -3.400 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.238 -4.594 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -12.610 -5.390 -6.519 1.00 0.00 H new ATOM 1990 N SER B 143 -12.942 -1.230 -9.818 1.00 0.00 N ATOM 1991 CA SER B 143 -12.846 -1.053 -11.261 1.00 0.00 C ATOM 1992 C SER B 143 -11.464 -0.425 -11.653 1.00 0.00 C ATOM 1993 O SER B 143 -10.730 -0.972 -12.519 1.00 0.00 O ATOM 1994 CB SER B 143 -14.026 -0.215 -11.783 1.00 0.00 C ATOM 1995 OG SER B 143 -14.055 -0.185 -13.200 1.00 0.00 O ATOM 0 H SER B 143 -13.687 -0.695 -9.372 1.00 0.00 H new ATOM 0 HA SER B 143 -12.904 -2.032 -11.738 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.962 -0.629 -11.408 1.00 0.00 H new ATOM 0 HB3 SER B 143 -13.950 0.802 -11.398 1.00 0.00 H new ATOM 0 HG SER B 143 -14.817 0.354 -13.500 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.064 0.680 -10.992 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.745 1.243 -11.278 1.00 0.00 C ATOM 2003 C ILE B 144 -8.634 0.332 -10.744 1.00 0.00 C ATOM 2004 O ILE B 144 -7.503 0.291 -11.279 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.561 2.771 -10.897 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -9.946 3.128 -9.452 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.310 3.658 -11.853 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -8.959 2.714 -8.403 1.00 0.00 C ATOM 0 H ILE B 144 -11.612 1.176 -10.289 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.660 1.265 -12.364 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.488 2.947 -10.976 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.088 4.207 -9.388 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.907 2.666 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.167 4.701 -11.570 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.934 3.502 -12.864 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.372 3.415 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.325 3.012 -7.421 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.832 1.632 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.001 3.196 -8.595 1.00 0.00 H new ATOM 2020 N ILE B 145 -8.985 -0.448 -9.739 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.099 -1.471 -9.219 1.00 0.00 C ATOM 2022 C ILE B 145 -7.832 -2.503 -10.299 1.00 0.00 C ATOM 2023 O ILE B 145 -6.707 -2.909 -10.496 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.689 -2.148 -7.958 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.854 -1.128 -6.810 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -7.940 -3.424 -7.542 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.653 -0.217 -6.589 1.00 0.00 C ATOM 0 H ILE B 145 -9.886 -0.391 -9.263 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.162 -0.998 -8.925 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.687 -2.499 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.728 -0.510 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.056 -1.671 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.407 -3.846 -6.652 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.982 -4.151 -8.353 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -6.900 -3.181 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.860 0.465 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.778 -0.821 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.461 0.358 -7.495 1.00 0.00 H new ATOM 2039 N ARG B 146 -8.884 -2.890 -11.013 1.00 0.00 N ATOM 2040 CA ARG B 146 -8.793 -3.813 -12.133 1.00 0.00 C ATOM 2041 C ARG B 146 -7.836 -3.296 -13.168 1.00 0.00 C ATOM 2042 O ARG B 146 -6.979 -4.044 -13.643 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.168 -4.083 -12.751 1.00 0.00 C ATOM 2044 CG ARG B 146 -11.095 -4.842 -11.828 1.00 0.00 C ATOM 2045 CD ARG B 146 -12.488 -5.001 -12.403 1.00 0.00 C ATOM 2046 NE ARG B 146 -12.501 -5.730 -13.673 1.00 0.00 N ATOM 2047 CZ ARG B 146 -13.609 -6.029 -14.357 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -14.805 -5.853 -13.795 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -13.524 -6.559 -15.571 1.00 0.00 N ATOM 0 H ARG B 146 -9.833 -2.567 -10.826 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.412 -4.760 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -10.631 -3.134 -13.021 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.040 -4.649 -13.674 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -10.674 -5.827 -11.627 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -11.158 -4.321 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -13.115 -5.526 -11.682 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -12.929 -4.015 -12.551 1.00 0.00 H new ATOM 0 HE ARG B 146 -11.606 -6.029 -14.061 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -14.873 -5.490 -12.844 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -15.652 -6.081 -14.316 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -12.610 -6.740 -15.986 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -14.373 -6.786 -16.089 1.00 0.00 H new ATOM 2063 N SER B 147 -7.941 -2.008 -13.492 1.00 0.00 N ATOM 2064 CA SER B 147 -6.995 -1.426 -14.422 1.00 0.00 C ATOM 2065 C SER B 147 -5.524 -1.510 -13.933 1.00 0.00 C ATOM 2066 O SER B 147 -4.615 -1.759 -14.739 1.00 0.00 O ATOM 2067 CB SER B 147 -7.422 -0.027 -14.912 1.00 0.00 C ATOM 2068 OG SER B 147 -7.900 0.801 -13.860 1.00 0.00 O ATOM 0 H SER B 147 -8.651 -1.370 -13.133 1.00 0.00 H new ATOM 0 HA SER B 147 -7.020 -2.054 -15.312 1.00 0.00 H new ATOM 0 HB2 SER B 147 -6.574 0.459 -15.394 1.00 0.00 H new ATOM 0 HB3 SER B 147 -8.201 -0.133 -15.667 1.00 0.00 H new ATOM 0 HG SER B 147 -7.413 0.595 -13.035 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.283 -1.356 -12.623 1.00 0.00 N ATOM 2075 CA GLU B 148 -3.918 -1.533 -12.121 1.00 0.00 C ATOM 2076 C GLU B 148 -3.515 -3.018 -12.034 1.00 0.00 C ATOM 2077 O GLU B 148 -2.422 -3.380 -12.441 1.00 0.00 O ATOM 2078 CB GLU B 148 -3.647 -0.877 -10.757 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.679 0.642 -10.709 1.00 0.00 C ATOM 2080 CD GLU B 148 -3.042 1.172 -9.421 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -3.549 0.901 -8.332 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -1.958 1.838 -9.492 1.00 0.00 O ATOM 0 H GLU B 148 -5.983 -1.120 -11.920 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.308 -1.019 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.382 -1.255 -10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -2.668 -1.207 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.150 1.046 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -4.710 0.988 -10.776 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.391 -3.872 -11.510 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.040 -5.275 -11.276 1.00 0.00 C ATOM 2091 C LEU B 149 -3.879 -6.104 -12.547 1.00 0.00 C ATOM 2092 O LEU B 149 -3.033 -6.992 -12.594 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.926 -5.986 -10.188 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.460 -6.048 -10.376 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.880 -6.969 -11.517 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.116 -6.495 -9.092 1.00 0.00 C ATOM 0 H LEU B 149 -5.342 -3.622 -11.240 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.040 -5.221 -10.845 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.567 -7.011 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.733 -5.491 -9.236 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.790 -5.043 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.967 -6.972 -11.601 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.445 -6.613 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.529 -7.981 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.196 -6.537 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.747 -7.484 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -6.879 -5.788 -8.297 1.00 0.00 H new ATOM 2108 N MET B 150 -4.658 -5.795 -13.568 1.00 0.00 N ATOM 2109 CA MET B 150 -4.612 -6.552 -14.814 1.00 0.00 C ATOM 2110 C MET B 150 -3.318 -6.287 -15.566 1.00 0.00 C ATOM 2111 O MET B 150 -2.702 -7.198 -16.116 1.00 0.00 O ATOM 2112 CB MET B 150 -5.809 -6.198 -15.693 1.00 0.00 C ATOM 2113 CG MET B 150 -5.862 -6.949 -17.017 1.00 0.00 C ATOM 2114 SD MET B 150 -7.252 -6.432 -18.045 1.00 0.00 S ATOM 2115 CE MET B 150 -8.637 -6.871 -16.993 1.00 0.00 C ATOM 0 H MET B 150 -5.330 -5.028 -13.563 1.00 0.00 H new ATOM 0 HA MET B 150 -4.653 -7.613 -14.566 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.725 -6.401 -15.137 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.790 -5.127 -15.897 1.00 0.00 H new ATOM 0 HG2 MET B 150 -4.931 -6.787 -17.561 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.936 -8.019 -16.822 1.00 0.00 H new ATOM 0 HE1 MET B 150 -9.544 -6.934 -17.594 1.00 0.00 H new ATOM 0 HE2 MET B 150 -8.445 -7.835 -16.523 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.764 -6.110 -16.223 1.00 0.00 H new