USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 21 SER OG : rot -29:sc= 0.816 USER MOD Set 1.2: A 90 TYR OH : rot -92:sc= 0.679 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -178:sc= 0.0335 (180deg=0) USER MOD Set 2.2: A 77 SER OG : rot -150:sc= 0.0314 USER MOD Set 3.1: A 41 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD Set 3.2: A 71 CYS SG : rot 171:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -162:sc= 0 (180deg=-0.172) USER MOD Single : A 10 HIS : no HE2:sc= -3.38! K(o=-3.4!,f=-1.4) USER MOD Single : A 12 MET CE :methyl -137:sc= 0 (180deg=-0.155) USER MOD Single : A 14 HIS : no HE2:sc= -3.37! C(o=-3.4!,f=-5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.83 K(o=-0.83,f=-5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= -0.108 (180deg=-0.108) USER MOD Single : A 43 MET CE :methyl 132:sc= -3.17! (180deg=-4.96!) USER MOD Single : A 44 MET CE :methyl -149:sc= -2.7! (180deg=-4.54!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -6:sc= -0.153 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.47! C(o=-4.5!,f=-7.5!) USER MOD Single : A 74 TYR OH : rot 50:sc= 1.39 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 98 SER OG : rot -63:sc= 0.96 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.387 -9.169 -16.557 1.00 0.00 N ATOM 2 CA GLU A 1 11.374 -10.181 -16.193 1.00 0.00 C ATOM 3 C GLU A 1 10.095 -10.002 -17.048 1.00 0.00 C ATOM 4 O GLU A 1 10.203 -9.954 -18.272 1.00 0.00 O ATOM 5 CB GLU A 1 11.068 -10.147 -14.685 1.00 0.00 C ATOM 6 CG GLU A 1 12.268 -10.233 -13.739 1.00 0.00 C ATOM 7 CD GLU A 1 12.407 -8.897 -13.008 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.601 -8.681 -12.075 1.00 0.00 O ATOM 9 OE2 GLU A 1 13.236 -8.084 -13.470 1.00 0.00 O ATOM 0 H1 GLU A 1 13.321 -9.474 -16.215 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.415 -9.062 -17.591 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.140 -8.258 -16.121 1.00 0.00 H new ATOM 0 HA GLU A 1 11.781 -11.168 -16.411 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.529 -9.225 -14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 1 10.394 -10.972 -14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 1 12.129 -11.043 -13.024 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.177 -10.455 -14.299 1.00 0.00 H new ATOM 17 N LEU A 2 8.924 -9.805 -16.420 1.00 0.00 N ATOM 18 CA LEU A 2 7.611 -9.715 -17.102 1.00 0.00 C ATOM 19 C LEU A 2 7.337 -11.006 -17.879 1.00 0.00 C ATOM 20 O LEU A 2 8.169 -11.906 -17.856 1.00 0.00 O ATOM 21 CB LEU A 2 7.528 -8.525 -18.066 1.00 0.00 C ATOM 22 CG LEU A 2 6.652 -7.405 -17.515 1.00 0.00 C ATOM 23 CD1 LEU A 2 7.512 -6.228 -17.051 1.00 0.00 C ATOM 24 CD2 LEU A 2 5.643 -6.984 -18.584 1.00 0.00 C ATOM 0 H LEU A 2 8.856 -9.701 -15.408 1.00 0.00 H new ATOM 0 HA LEU A 2 6.861 -9.568 -16.325 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.530 -8.141 -18.256 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.128 -8.861 -19.023 1.00 0.00 H new ATOM 0 HG LEU A 2 6.103 -7.762 -16.644 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.869 -5.439 -16.661 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.193 -6.561 -16.268 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.088 -5.844 -17.893 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.014 -6.183 -18.195 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.175 -6.631 -19.468 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.020 -7.837 -18.852 1.00 0.00 H new ATOM 36 N ILE A 3 6.100 -11.170 -18.349 1.00 0.00 N ATOM 37 CA ILE A 3 5.654 -12.369 -19.110 1.00 0.00 C ATOM 38 C ILE A 3 5.999 -13.729 -18.444 1.00 0.00 C ATOM 39 O ILE A 3 6.026 -14.778 -19.083 1.00 0.00 O ATOM 40 CB ILE A 3 6.069 -12.315 -20.607 1.00 0.00 C ATOM 41 CG1 ILE A 3 7.559 -12.573 -20.946 1.00 0.00 C ATOM 42 CG2 ILE A 3 5.480 -11.067 -21.285 1.00 0.00 C ATOM 43 CD1 ILE A 3 8.590 -11.433 -20.881 1.00 0.00 C ATOM 0 H ILE A 3 5.363 -10.477 -18.219 1.00 0.00 H new ATOM 0 HA ILE A 3 4.566 -12.320 -19.078 1.00 0.00 H new ATOM 0 HB ILE A 3 5.616 -13.203 -21.048 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.908 -13.359 -20.277 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.592 -12.977 -21.958 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.781 -11.046 -22.332 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.392 -11.097 -21.220 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.849 -10.172 -20.783 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.574 -11.816 -21.153 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.303 -10.643 -21.575 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.625 -11.031 -19.868 1.00 0.00 H new ATOM 55 N ARG A 4 6.200 -13.662 -17.127 1.00 0.00 N ATOM 56 CA ARG A 4 6.656 -14.756 -16.236 1.00 0.00 C ATOM 57 C ARG A 4 6.308 -14.464 -14.759 1.00 0.00 C ATOM 58 O ARG A 4 5.768 -15.309 -14.051 1.00 0.00 O ATOM 59 CB ARG A 4 8.178 -14.988 -16.395 1.00 0.00 C ATOM 60 CG ARG A 4 9.077 -13.905 -15.771 1.00 0.00 C ATOM 61 CD ARG A 4 10.567 -14.077 -16.001 1.00 0.00 C ATOM 62 NE ARG A 4 10.855 -13.725 -17.397 1.00 0.00 N ATOM 63 CZ ARG A 4 12.015 -13.938 -18.010 1.00 0.00 C ATOM 64 NH1 ARG A 4 13.032 -14.517 -17.384 1.00 0.00 N ATOM 65 NH2 ARG A 4 12.155 -13.604 -19.282 1.00 0.00 N ATOM 0 H ARG A 4 6.042 -12.795 -16.613 1.00 0.00 H new ATOM 0 HA ARG A 4 6.129 -15.664 -16.531 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.431 -15.949 -15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.409 -15.061 -17.458 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.776 -12.935 -16.168 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.894 -13.881 -14.697 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.133 -13.439 -15.323 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.868 -15.105 -15.797 1.00 0.00 H new ATOM 0 HE ARG A 4 10.110 -13.284 -17.936 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.933 -14.809 -16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.913 -14.670 -17.875 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.375 -13.185 -19.788 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.043 -13.765 -19.757 1.00 0.00 H new ATOM 79 N VAL A 5 6.670 -13.259 -14.315 1.00 0.00 N ATOM 80 CA VAL A 5 6.458 -12.775 -12.937 1.00 0.00 C ATOM 81 C VAL A 5 5.081 -12.099 -12.812 1.00 0.00 C ATOM 82 O VAL A 5 4.413 -12.216 -11.793 1.00 0.00 O ATOM 83 CB VAL A 5 7.656 -11.878 -12.537 1.00 0.00 C ATOM 84 CG1 VAL A 5 7.707 -10.505 -13.218 1.00 0.00 C ATOM 85 CG2 VAL A 5 7.785 -11.734 -11.022 1.00 0.00 C ATOM 0 H VAL A 5 7.130 -12.572 -14.912 1.00 0.00 H new ATOM 0 HA VAL A 5 6.431 -13.601 -12.226 1.00 0.00 H new ATOM 0 HB VAL A 5 8.521 -12.420 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.583 -9.958 -12.869 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.768 -10.637 -14.298 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.806 -9.943 -12.972 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.638 -11.097 -10.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.876 -11.285 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.933 -12.717 -10.574 1.00 0.00 H new ATOM 95 N ALA A 6 4.706 -11.405 -13.891 1.00 0.00 N ATOM 96 CA ALA A 6 3.454 -10.637 -14.051 1.00 0.00 C ATOM 97 C ALA A 6 3.422 -9.441 -13.083 1.00 0.00 C ATOM 98 O ALA A 6 2.421 -9.175 -12.425 1.00 0.00 O ATOM 99 CB ALA A 6 2.223 -11.554 -13.926 1.00 0.00 C ATOM 0 H ALA A 6 5.294 -11.357 -14.723 1.00 0.00 H new ATOM 0 HA ALA A 6 3.420 -10.221 -15.058 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.315 -10.963 -14.048 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.262 -12.323 -14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.219 -12.026 -12.944 1.00 0.00 H new ATOM 105 N ILE A 7 4.557 -8.730 -13.049 1.00 0.00 N ATOM 106 CA ILE A 7 4.854 -7.594 -12.147 1.00 0.00 C ATOM 107 C ILE A 7 4.123 -7.744 -10.800 1.00 0.00 C ATOM 108 O ILE A 7 3.009 -7.269 -10.595 1.00 0.00 O ATOM 109 CB ILE A 7 4.634 -6.245 -12.883 1.00 0.00 C ATOM 110 CG1 ILE A 7 5.356 -5.045 -12.233 1.00 0.00 C ATOM 111 CG2 ILE A 7 3.177 -5.941 -13.272 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.029 -4.659 -10.782 1.00 0.00 C ATOM 0 H ILE A 7 5.334 -8.936 -13.677 1.00 0.00 H new ATOM 0 HA ILE A 7 5.910 -7.600 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 7 5.136 -6.402 -13.838 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.427 -5.241 -12.285 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.161 -4.171 -12.855 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.129 -4.978 -13.780 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.808 -6.721 -13.938 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.560 -5.908 -12.374 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.628 -3.796 -10.491 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.971 -4.410 -10.701 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.256 -5.497 -10.123 1.00 0.00 H new ATOM 124 N LEU A 8 4.766 -8.482 -9.903 1.00 0.00 N ATOM 125 CA LEU A 8 4.177 -8.757 -8.583 1.00 0.00 C ATOM 126 C LEU A 8 3.734 -7.476 -7.858 1.00 0.00 C ATOM 127 O LEU A 8 4.243 -6.385 -8.113 1.00 0.00 O ATOM 128 CB LEU A 8 5.187 -9.533 -7.734 1.00 0.00 C ATOM 129 CG LEU A 8 4.933 -11.032 -7.554 1.00 0.00 C ATOM 130 CD1 LEU A 8 3.557 -11.231 -6.956 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.052 -11.841 -8.839 1.00 0.00 C ATOM 0 H LEU A 8 5.684 -8.899 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 8 3.278 -9.355 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.173 -9.407 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.224 -9.074 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 8 5.713 -11.403 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.368 -12.296 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.505 -10.731 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.806 -10.809 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.858 -12.892 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.326 -11.478 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.058 -11.733 -9.245 1.00 0.00 H new ATOM 143 N TRP A 9 2.923 -7.667 -6.828 1.00 0.00 N ATOM 144 CA TRP A 9 2.361 -6.529 -6.078 1.00 0.00 C ATOM 145 C TRP A 9 3.186 -6.136 -4.857 1.00 0.00 C ATOM 146 O TRP A 9 3.693 -5.021 -4.826 1.00 0.00 O ATOM 147 CB TRP A 9 0.903 -6.764 -5.696 1.00 0.00 C ATOM 148 CG TRP A 9 -0.041 -6.496 -6.867 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.122 -5.687 -7.914 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.307 -7.050 -6.984 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.972 -5.707 -8.681 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.851 -6.559 -8.143 1.00 0.00 C ATOM 153 CE3 TRP A 9 -2.001 -7.939 -6.176 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.118 -6.970 -8.548 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.248 -8.400 -6.606 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.796 -7.920 -7.776 1.00 0.00 C ATOM 0 H TRP A 9 2.636 -8.584 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 9 2.404 -5.683 -6.764 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.778 -7.792 -5.356 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.638 -6.117 -4.860 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.008 -5.102 -8.113 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.113 -5.164 -9.533 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.586 -8.268 -5.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.569 -6.563 -9.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.783 -9.133 -6.021 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.760 -8.281 -8.101 1.00 0.00 H new ATOM 167 N HIS A 10 3.601 -7.150 -4.103 1.00 0.00 N ATOM 168 CA HIS A 10 4.550 -7.023 -2.973 1.00 0.00 C ATOM 169 C HIS A 10 5.868 -6.346 -3.404 1.00 0.00 C ATOM 170 O HIS A 10 6.398 -5.492 -2.694 1.00 0.00 O ATOM 171 CB HIS A 10 4.736 -8.441 -2.400 1.00 0.00 C ATOM 172 CG HIS A 10 6.147 -8.887 -1.993 1.00 0.00 C ATOM 173 ND1 HIS A 10 6.644 -9.008 -0.763 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.128 -9.148 -2.853 1.00 0.00 C ATOM 175 CE1 HIS A 10 7.937 -9.303 -0.879 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.239 -9.379 -2.174 1.00 0.00 N ATOM 0 H HIS A 10 3.287 -8.109 -4.254 1.00 0.00 H new ATOM 0 HA HIS A 10 4.162 -6.365 -2.195 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.094 -8.531 -1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.365 -9.149 -3.141 1.00 0.00 H new ATOM 0 HD1 HIS A 10 6.128 -8.895 0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.033 -9.168 -3.929 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.625 -9.455 -0.061 1.00 0.00 H new ATOM 184 N GLU A 11 6.274 -6.644 -4.640 1.00 0.00 N ATOM 185 CA GLU A 11 7.514 -6.116 -5.247 1.00 0.00 C ATOM 186 C GLU A 11 7.432 -4.598 -5.440 1.00 0.00 C ATOM 187 O GLU A 11 8.340 -3.859 -5.068 1.00 0.00 O ATOM 188 CB GLU A 11 7.800 -6.770 -6.603 1.00 0.00 C ATOM 189 CG GLU A 11 8.044 -8.282 -6.529 1.00 0.00 C ATOM 190 CD GLU A 11 9.171 -8.790 -5.622 1.00 0.00 C ATOM 191 OE1 GLU A 11 9.964 -7.960 -5.129 1.00 0.00 O ATOM 192 OE2 GLU A 11 9.255 -10.034 -5.543 1.00 0.00 O ATOM 0 H GLU A 11 5.752 -7.264 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 11 8.324 -6.353 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.959 -6.581 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.674 -6.293 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.117 -8.753 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.245 -8.637 -7.540 1.00 0.00 H new ATOM 199 N MET A 12 6.240 -4.170 -5.851 1.00 0.00 N ATOM 200 CA MET A 12 5.923 -2.749 -5.992 1.00 0.00 C ATOM 201 C MET A 12 5.587 -2.136 -4.629 1.00 0.00 C ATOM 202 O MET A 12 6.104 -1.060 -4.382 1.00 0.00 O ATOM 203 CB MET A 12 4.846 -2.530 -7.066 1.00 0.00 C ATOM 204 CG MET A 12 3.503 -1.966 -6.587 1.00 0.00 C ATOM 205 SD MET A 12 2.443 -1.377 -7.952 1.00 0.00 S ATOM 206 CE MET A 12 3.261 0.152 -8.352 1.00 0.00 C ATOM 0 H MET A 12 5.470 -4.794 -6.095 1.00 0.00 H new ATOM 0 HA MET A 12 6.802 -2.213 -6.351 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.250 -1.854 -7.820 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.658 -3.484 -7.560 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.971 -2.736 -6.029 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.687 -1.142 -5.897 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.516 0.932 -8.513 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.916 0.440 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.852 0.022 -9.258 1.00 0.00 H new ATOM 216 N TRP A 13 4.839 -2.821 -3.764 1.00 0.00 N ATOM 217 CA TRP A 13 4.394 -2.331 -2.438 1.00 0.00 C ATOM 218 C TRP A 13 5.505 -1.623 -1.651 1.00 0.00 C ATOM 219 O TRP A 13 5.318 -0.464 -1.296 1.00 0.00 O ATOM 220 CB TRP A 13 3.783 -3.476 -1.618 1.00 0.00 C ATOM 221 CG TRP A 13 2.256 -3.423 -1.457 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.366 -2.718 -2.154 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.528 -4.103 -0.483 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.132 -2.929 -1.684 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.203 -3.790 -0.663 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.926 -4.843 0.623 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.762 -4.208 0.254 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.955 -5.294 1.522 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.368 -4.981 1.347 1.00 0.00 C ATOM 0 H TRP A 13 4.509 -3.765 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 13 3.628 -1.578 -2.624 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.050 -4.422 -2.089 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.237 -3.474 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.607 -2.068 -2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.722 -2.504 -2.045 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.970 -5.067 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.799 -3.937 0.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.252 -5.898 2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.105 -5.332 2.054 1.00 0.00 H new ATOM 240 N HIS A 14 6.718 -2.155 -1.776 1.00 0.00 N ATOM 241 CA HIS A 14 7.966 -1.486 -1.343 1.00 0.00 C ATOM 242 C HIS A 14 8.097 -0.033 -1.849 1.00 0.00 C ATOM 243 O HIS A 14 7.930 0.914 -1.083 1.00 0.00 O ATOM 244 CB HIS A 14 9.151 -2.344 -1.799 1.00 0.00 C ATOM 245 CG HIS A 14 9.755 -3.234 -0.706 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.934 -3.833 -0.821 1.00 0.00 N ATOM 247 CD2 HIS A 14 9.307 -3.456 0.533 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.216 -4.419 0.334 1.00 0.00 C ATOM 249 NE2 HIS A 14 10.212 -4.189 1.173 1.00 0.00 N ATOM 0 H HIS A 14 6.876 -3.076 -2.185 1.00 0.00 H new ATOM 0 HA HIS A 14 7.948 -1.402 -0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.828 -2.976 -2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.930 -1.687 -2.186 1.00 0.00 H new ATOM 0 HD1 HIS A 14 11.522 -3.841 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.373 -3.102 0.943 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.108 -4.986 0.555 1.00 0.00 H new ATOM 257 N GLU A 15 8.280 0.140 -3.160 1.00 0.00 N ATOM 258 CA GLU A 15 8.310 1.470 -3.811 1.00 0.00 C ATOM 259 C GLU A 15 6.954 2.199 -3.805 1.00 0.00 C ATOM 260 O GLU A 15 6.924 3.401 -3.614 1.00 0.00 O ATOM 261 CB GLU A 15 8.845 1.418 -5.251 1.00 0.00 C ATOM 262 CG GLU A 15 7.895 0.742 -6.252 1.00 0.00 C ATOM 263 CD GLU A 15 8.409 0.782 -7.686 1.00 0.00 C ATOM 264 OE1 GLU A 15 9.418 0.089 -7.927 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.759 1.468 -8.504 1.00 0.00 O ATOM 0 H GLU A 15 8.413 -0.635 -3.810 1.00 0.00 H new ATOM 0 HA GLU A 15 9.002 2.043 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.047 2.435 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.796 0.886 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.744 -0.296 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.922 1.231 -6.207 1.00 0.00 H new ATOM 272 N GLY A 16 5.859 1.484 -4.080 1.00 0.00 N ATOM 273 CA GLY A 16 4.487 2.016 -4.098 1.00 0.00 C ATOM 274 C GLY A 16 4.149 2.699 -2.771 1.00 0.00 C ATOM 275 O GLY A 16 3.384 3.655 -2.761 1.00 0.00 O ATOM 0 H GLY A 16 5.901 0.490 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.380 2.728 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.781 1.207 -4.285 1.00 0.00 H new ATOM 279 N LEU A 17 4.728 2.190 -1.689 1.00 0.00 N ATOM 280 CA LEU A 17 4.684 2.832 -0.370 1.00 0.00 C ATOM 281 C LEU A 17 5.735 3.931 -0.199 1.00 0.00 C ATOM 282 O LEU A 17 5.354 5.038 0.147 1.00 0.00 O ATOM 283 CB LEU A 17 4.797 1.794 0.746 1.00 0.00 C ATOM 284 CG LEU A 17 3.527 0.965 0.949 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.771 0.048 2.146 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.288 1.831 1.198 1.00 0.00 C ATOM 0 H LEU A 17 5.247 1.312 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 17 3.713 3.321 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.626 1.123 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.041 2.302 1.679 1.00 0.00 H new ATOM 0 HG LEU A 17 3.325 0.399 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.885 -0.562 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.623 -0.601 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.980 0.651 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.417 1.190 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.439 2.434 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.125 2.487 0.343 1.00 0.00 H new ATOM 298 N GLU A 18 6.918 3.743 -0.776 1.00 0.00 N ATOM 299 CA GLU A 18 8.016 4.729 -0.709 1.00 0.00 C ATOM 300 C GLU A 18 7.724 5.983 -1.551 1.00 0.00 C ATOM 301 O GLU A 18 7.531 7.050 -0.985 1.00 0.00 O ATOM 302 CB GLU A 18 9.358 4.088 -1.074 1.00 0.00 C ATOM 303 CG GLU A 18 10.493 5.104 -0.896 1.00 0.00 C ATOM 304 CD GLU A 18 11.716 4.476 -0.234 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.595 4.143 0.965 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.750 4.395 -0.929 1.00 0.00 O ATOM 0 H GLU A 18 7.153 2.904 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 18 8.087 5.066 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.537 3.217 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.333 3.736 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.774 5.510 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.141 5.940 -0.291 1.00 0.00 H new ATOM 313 N GLU A 19 7.555 5.803 -2.858 1.00 0.00 N ATOM 314 CA GLU A 19 7.128 6.839 -3.820 1.00 0.00 C ATOM 315 C GLU A 19 5.786 7.490 -3.422 1.00 0.00 C ATOM 316 O GLU A 19 5.492 8.606 -3.841 1.00 0.00 O ATOM 317 CB GLU A 19 7.074 6.212 -5.226 1.00 0.00 C ATOM 318 CG GLU A 19 6.780 7.203 -6.362 1.00 0.00 C ATOM 319 CD GLU A 19 7.769 8.372 -6.375 1.00 0.00 C ATOM 320 OE1 GLU A 19 7.529 9.327 -5.612 1.00 0.00 O ATOM 321 OE2 GLU A 19 8.788 8.256 -7.087 1.00 0.00 O ATOM 0 H GLU A 19 7.716 4.899 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 19 7.855 7.651 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.027 5.723 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.309 5.435 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.823 6.681 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.766 7.588 -6.254 1.00 0.00 H new ATOM 328 N ALA A 20 5.013 6.804 -2.579 1.00 0.00 N ATOM 329 CA ALA A 20 3.766 7.347 -2.004 1.00 0.00 C ATOM 330 C ALA A 20 4.060 8.167 -0.752 1.00 0.00 C ATOM 331 O ALA A 20 3.989 9.390 -0.793 1.00 0.00 O ATOM 332 CB ALA A 20 2.733 6.269 -1.671 1.00 0.00 C ATOM 0 H ALA A 20 5.227 5.856 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 20 3.335 7.984 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.842 6.736 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.467 5.727 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.154 5.574 -0.944 1.00 0.00 H new ATOM 338 N SER A 21 4.613 7.509 0.263 1.00 0.00 N ATOM 339 CA SER A 21 4.966 8.143 1.543 1.00 0.00 C ATOM 340 C SER A 21 5.914 9.315 1.321 1.00 0.00 C ATOM 341 O SER A 21 5.744 10.305 2.003 1.00 0.00 O ATOM 342 CB SER A 21 5.602 7.206 2.574 1.00 0.00 C ATOM 343 OG SER A 21 6.980 6.906 2.305 1.00 0.00 O ATOM 0 H SER A 21 4.833 6.514 0.227 1.00 0.00 H new ATOM 0 HA SER A 21 4.011 8.471 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.524 7.660 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.036 6.275 2.605 1.00 0.00 H new ATOM 0 HG SER A 21 7.141 6.947 1.339 1.00 0.00 H new ATOM 349 N ARG A 22 6.716 9.295 0.259 1.00 0.00 N ATOM 350 CA ARG A 22 7.629 10.395 -0.108 1.00 0.00 C ATOM 351 C ARG A 22 6.886 11.706 -0.431 1.00 0.00 C ATOM 352 O ARG A 22 7.349 12.780 -0.052 1.00 0.00 O ATOM 353 CB ARG A 22 8.495 9.954 -1.286 1.00 0.00 C ATOM 354 CG ARG A 22 9.748 10.824 -1.405 1.00 0.00 C ATOM 355 CD ARG A 22 10.665 10.333 -2.528 1.00 0.00 C ATOM 356 NE ARG A 22 10.023 10.494 -3.847 1.00 0.00 N ATOM 357 CZ ARG A 22 9.919 11.621 -4.558 1.00 0.00 C ATOM 358 NH1 ARG A 22 10.374 12.784 -4.119 1.00 0.00 N ATOM 359 NH2 ARG A 22 9.313 11.600 -5.733 1.00 0.00 N ATOM 0 H ARG A 22 6.757 8.506 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 22 8.258 10.611 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.784 8.911 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.918 10.014 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.458 11.857 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.291 10.814 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.602 10.889 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.913 9.284 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 22 9.615 9.655 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.824 12.844 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.274 13.621 -4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.928 10.727 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.231 12.457 -6.280 1.00 0.00 H new ATOM 373 N LEU A 23 5.631 11.566 -0.855 1.00 0.00 N ATOM 374 CA LEU A 23 4.725 12.701 -1.102 1.00 0.00 C ATOM 375 C LEU A 23 4.130 13.299 0.182 1.00 0.00 C ATOM 376 O LEU A 23 3.713 14.453 0.217 1.00 0.00 O ATOM 377 CB LEU A 23 3.632 12.293 -2.090 1.00 0.00 C ATOM 378 CG LEU A 23 3.920 12.562 -3.577 1.00 0.00 C ATOM 379 CD1 LEU A 23 4.022 14.063 -3.854 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.139 11.803 -4.107 1.00 0.00 C ATOM 0 H LEU A 23 5.205 10.658 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 23 5.324 13.498 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.440 11.227 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.714 12.816 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 23 3.067 12.170 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.226 14.225 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.082 14.547 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.830 14.489 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.284 12.039 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.024 12.098 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.978 10.731 -3.994 1.00 0.00 H new ATOM 392 N TYR A 24 4.285 12.576 1.282 1.00 0.00 N ATOM 393 CA TYR A 24 3.832 13.028 2.606 1.00 0.00 C ATOM 394 C TYR A 24 4.965 13.215 3.634 1.00 0.00 C ATOM 395 O TYR A 24 4.991 14.218 4.336 1.00 0.00 O ATOM 396 CB TYR A 24 2.785 12.045 3.122 1.00 0.00 C ATOM 397 CG TYR A 24 2.070 12.604 4.360 1.00 0.00 C ATOM 398 CD1 TYR A 24 1.621 13.913 4.388 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.782 11.734 5.396 1.00 0.00 C ATOM 400 CE1 TYR A 24 0.858 14.364 5.468 1.00 0.00 C ATOM 401 CE2 TYR A 24 1.026 12.184 6.481 1.00 0.00 C ATOM 402 CZ TYR A 24 0.560 13.486 6.494 1.00 0.00 C ATOM 403 OH TYR A 24 -0.299 13.878 7.478 1.00 0.00 O ATOM 0 H TYR A 24 4.728 11.657 1.290 1.00 0.00 H new ATOM 0 HA TYR A 24 3.404 14.023 2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.056 11.840 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.262 11.097 3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.860 14.584 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.139 10.715 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.506 15.384 5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.807 11.520 7.304 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.408 13.151 8.126 1.00 0.00 H new ATOM 413 N PHE A 25 5.968 12.348 3.533 1.00 0.00 N ATOM 414 CA PHE A 25 7.188 12.271 4.357 1.00 0.00 C ATOM 415 C PHE A 25 7.889 13.633 4.410 1.00 0.00 C ATOM 416 O PHE A 25 8.107 14.178 5.489 1.00 0.00 O ATOM 417 CB PHE A 25 8.090 11.202 3.717 1.00 0.00 C ATOM 418 CG PHE A 25 9.504 11.136 4.305 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.493 11.971 3.809 1.00 0.00 C ATOM 420 CD2 PHE A 25 9.753 10.303 5.381 1.00 0.00 C ATOM 421 CE1 PHE A 25 11.748 11.995 4.415 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.014 10.319 5.981 1.00 0.00 C ATOM 423 CZ PHE A 25 11.999 11.167 5.497 1.00 0.00 C ATOM 0 H PHE A 25 5.956 11.620 2.819 1.00 0.00 H new ATOM 0 HA PHE A 25 6.951 12.002 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.616 10.227 3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.163 11.398 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.292 12.601 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.980 9.647 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.519 12.654 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.222 9.672 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.971 11.182 5.968 1.00 0.00 H new ATOM 433 N GLY A 26 8.227 14.124 3.212 1.00 0.00 N ATOM 434 CA GLY A 26 8.896 15.427 3.046 1.00 0.00 C ATOM 435 C GLY A 26 8.407 16.189 1.812 1.00 0.00 C ATOM 436 O GLY A 26 9.164 16.937 1.204 1.00 0.00 O ATOM 0 H GLY A 26 8.048 13.636 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.725 16.035 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.972 15.271 2.969 1.00 0.00 H new ATOM 440 N GLU A 27 7.144 15.979 1.455 1.00 0.00 N ATOM 441 CA GLU A 27 6.537 16.710 0.329 1.00 0.00 C ATOM 442 C GLU A 27 5.302 17.531 0.729 1.00 0.00 C ATOM 443 O GLU A 27 4.765 18.253 -0.107 1.00 0.00 O ATOM 444 CB GLU A 27 6.181 15.768 -0.823 1.00 0.00 C ATOM 445 CG GLU A 27 6.990 15.994 -2.100 1.00 0.00 C ATOM 446 CD GLU A 27 8.105 14.960 -2.255 1.00 0.00 C ATOM 447 OE1 GLU A 27 7.772 13.845 -2.716 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.259 15.313 -1.933 1.00 0.00 O ATOM 0 H GLU A 27 6.520 15.318 1.918 1.00 0.00 H new ATOM 0 HA GLU A 27 7.300 17.415 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.327 14.740 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.122 15.881 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.327 15.946 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.422 16.995 -2.085 1.00 0.00 H new ATOM 455 N ARG A 28 4.853 17.380 1.984 1.00 0.00 N ATOM 456 CA ARG A 28 3.615 18.004 2.514 1.00 0.00 C ATOM 457 C ARG A 28 2.399 17.919 1.573 1.00 0.00 C ATOM 458 O ARG A 28 1.484 18.743 1.584 1.00 0.00 O ATOM 459 CB ARG A 28 3.894 19.455 2.916 1.00 0.00 C ATOM 460 CG ARG A 28 4.384 19.548 4.358 1.00 0.00 C ATOM 461 CD ARG A 28 4.657 21.011 4.709 1.00 0.00 C ATOM 462 NE ARG A 28 4.935 21.145 6.151 1.00 0.00 N ATOM 463 CZ ARG A 28 4.038 21.149 7.141 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.733 21.058 6.917 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.445 21.268 8.395 1.00 0.00 N ATOM 0 H ARG A 28 5.343 16.813 2.676 1.00 0.00 H new ATOM 0 HA ARG A 28 3.334 17.419 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.642 19.882 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.987 20.048 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.637 19.134 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.291 18.957 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.505 21.379 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.797 21.624 4.438 1.00 0.00 H new ATOM 0 HE ARG A 28 5.914 21.245 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.384 20.982 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.079 21.064 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.440 21.356 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.764 21.272 9.154 1.00 0.00 H new ATOM 479 N ASN A 29 2.408 16.859 0.780 1.00 0.00 N ATOM 480 CA ASN A 29 1.403 16.604 -0.252 1.00 0.00 C ATOM 481 C ASN A 29 0.955 15.144 -0.122 1.00 0.00 C ATOM 482 O ASN A 29 1.214 14.294 -0.975 1.00 0.00 O ATOM 483 CB ASN A 29 2.057 16.907 -1.604 1.00 0.00 C ATOM 484 CG ASN A 29 0.984 17.286 -2.618 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.396 16.459 -3.296 1.00 0.00 O ATOM 486 ND2 ASN A 29 0.637 18.553 -2.612 1.00 0.00 N ATOM 0 H ASN A 29 3.125 16.136 0.833 1.00 0.00 H new ATOM 0 HA ASN A 29 0.517 17.230 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.775 17.720 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.611 16.036 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.145 18.870 -3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.149 19.219 -2.034 1.00 0.00 H new ATOM 493 N VAL A 30 0.277 14.877 0.993 1.00 0.00 N ATOM 494 CA VAL A 30 -0.372 13.566 1.242 1.00 0.00 C ATOM 495 C VAL A 30 -1.285 13.148 0.068 1.00 0.00 C ATOM 496 O VAL A 30 -1.304 11.984 -0.321 1.00 0.00 O ATOM 497 CB VAL A 30 -1.090 13.557 2.608 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.486 14.192 2.639 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.123 12.148 3.192 1.00 0.00 C ATOM 0 H VAL A 30 0.156 15.549 1.751 1.00 0.00 H new ATOM 0 HA VAL A 30 0.405 12.804 1.295 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.484 14.212 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.892 14.128 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.417 15.238 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.142 13.661 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.634 12.165 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.655 11.484 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.104 11.787 3.328 1.00 0.00 H new ATOM 509 N LYS A 31 -1.782 14.159 -0.642 1.00 0.00 N ATOM 510 CA LYS A 31 -2.583 14.008 -1.869 1.00 0.00 C ATOM 511 C LYS A 31 -1.797 13.259 -2.965 1.00 0.00 C ATOM 512 O LYS A 31 -2.352 12.429 -3.681 1.00 0.00 O ATOM 513 CB LYS A 31 -3.042 15.425 -2.255 1.00 0.00 C ATOM 514 CG LYS A 31 -3.638 15.659 -3.648 1.00 0.00 C ATOM 515 CD LYS A 31 -2.522 15.704 -4.695 1.00 0.00 C ATOM 516 CE LYS A 31 -2.876 16.484 -5.954 1.00 0.00 C ATOM 517 NZ LYS A 31 -1.805 16.282 -6.938 1.00 0.00 N ATOM 0 H LYS A 31 -1.639 15.134 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.462 13.381 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.784 15.742 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.185 16.089 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.342 14.863 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.198 16.594 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.634 16.148 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.261 14.683 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.830 16.143 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.987 17.544 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.028 16.808 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.905 16.626 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.722 15.269 -7.158 1.00 0.00 H new ATOM 531 N GLY A 32 -0.490 13.542 -3.046 1.00 0.00 N ATOM 532 CA GLY A 32 0.416 12.925 -4.030 1.00 0.00 C ATOM 533 C GLY A 32 0.632 11.429 -3.762 1.00 0.00 C ATOM 534 O GLY A 32 0.546 10.619 -4.683 1.00 0.00 O ATOM 0 H GLY A 32 -0.027 14.209 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.006 13.057 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.377 13.439 -4.008 1.00 0.00 H new ATOM 538 N MET A 33 0.812 11.073 -2.489 1.00 0.00 N ATOM 539 CA MET A 33 0.904 9.663 -2.052 1.00 0.00 C ATOM 540 C MET A 33 -0.305 8.855 -2.535 1.00 0.00 C ATOM 541 O MET A 33 -0.147 7.772 -3.089 1.00 0.00 O ATOM 542 CB MET A 33 1.087 9.576 -0.527 1.00 0.00 C ATOM 543 CG MET A 33 -0.127 9.306 0.363 1.00 0.00 C ATOM 544 SD MET A 33 0.287 9.220 2.138 1.00 0.00 S ATOM 545 CE MET A 33 1.066 7.623 2.227 1.00 0.00 C ATOM 0 H MET A 33 0.899 11.746 -1.727 1.00 0.00 H new ATOM 0 HA MET A 33 1.787 9.218 -2.511 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.817 8.791 -0.330 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.531 10.515 -0.197 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.866 10.092 0.207 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.591 8.368 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.376 7.426 3.253 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.361 6.856 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.940 7.607 1.575 1.00 0.00 H new ATOM 555 N PHE A 34 -1.436 9.547 -2.568 1.00 0.00 N ATOM 556 CA PHE A 34 -2.725 9.022 -3.031 1.00 0.00 C ATOM 557 C PHE A 34 -2.771 8.741 -4.532 1.00 0.00 C ATOM 558 O PHE A 34 -3.639 7.995 -4.948 1.00 0.00 O ATOM 559 CB PHE A 34 -3.839 9.989 -2.637 1.00 0.00 C ATOM 560 CG PHE A 34 -3.859 10.322 -1.135 1.00 0.00 C ATOM 561 CD1 PHE A 34 -3.413 9.416 -0.187 1.00 0.00 C ATOM 562 CD2 PHE A 34 -4.352 11.555 -0.741 1.00 0.00 C ATOM 563 CE1 PHE A 34 -3.449 9.745 1.165 1.00 0.00 C ATOM 564 CE2 PHE A 34 -4.402 11.882 0.615 1.00 0.00 C ATOM 565 CZ PHE A 34 -3.954 10.976 1.556 1.00 0.00 C ATOM 0 H PHE A 34 -1.489 10.520 -2.265 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.867 8.058 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.725 10.913 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.800 9.558 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.037 8.452 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.697 12.262 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.086 9.046 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.790 12.840 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.997 11.228 2.605 1.00 0.00 H new ATOM 575 N GLU A 35 -1.830 9.280 -5.304 1.00 0.00 N ATOM 576 CA GLU A 35 -1.712 9.036 -6.754 1.00 0.00 C ATOM 577 C GLU A 35 -1.045 7.680 -7.043 1.00 0.00 C ATOM 578 O GLU A 35 -1.634 6.841 -7.714 1.00 0.00 O ATOM 579 CB GLU A 35 -0.917 10.176 -7.401 1.00 0.00 C ATOM 580 CG GLU A 35 -1.061 10.206 -8.925 1.00 0.00 C ATOM 581 CD GLU A 35 -2.426 10.764 -9.335 1.00 0.00 C ATOM 582 OE1 GLU A 35 -2.497 12.003 -9.473 1.00 0.00 O ATOM 583 OE2 GLU A 35 -3.360 9.947 -9.481 1.00 0.00 O ATOM 0 H GLU A 35 -1.114 9.909 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.714 9.004 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.254 11.128 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.137 10.072 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.269 10.818 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.940 9.199 -9.325 1.00 0.00 H new ATOM 590 N VAL A 36 0.166 7.482 -6.529 1.00 0.00 N ATOM 591 CA VAL A 36 0.908 6.203 -6.648 1.00 0.00 C ATOM 592 C VAL A 36 0.333 5.073 -5.760 1.00 0.00 C ATOM 593 O VAL A 36 0.455 3.892 -6.082 1.00 0.00 O ATOM 594 CB VAL A 36 2.423 6.465 -6.498 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.760 7.142 -5.174 1.00 0.00 C ATOM 596 CG2 VAL A 36 3.290 5.220 -6.714 1.00 0.00 C ATOM 0 H VAL A 36 0.674 8.200 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 36 0.762 5.800 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 36 2.671 7.154 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.836 7.306 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.243 8.099 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.443 6.505 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.341 5.483 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.020 4.457 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.127 4.833 -7.720 1.00 0.00 H new ATOM 606 N LEU A 37 -0.343 5.465 -4.680 1.00 0.00 N ATOM 607 CA LEU A 37 -1.100 4.554 -3.799 1.00 0.00 C ATOM 608 C LEU A 37 -2.530 4.310 -4.319 1.00 0.00 C ATOM 609 O LEU A 37 -3.132 3.299 -3.974 1.00 0.00 O ATOM 610 CB LEU A 37 -1.147 5.145 -2.387 1.00 0.00 C ATOM 611 CG LEU A 37 -1.432 4.172 -1.242 1.00 0.00 C ATOM 612 CD1 LEU A 37 -0.143 3.561 -0.704 1.00 0.00 C ATOM 613 CD2 LEU A 37 -2.144 4.912 -0.111 1.00 0.00 C ATOM 0 H LEU A 37 -0.385 6.439 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.591 3.590 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.191 5.631 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.910 5.923 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.062 3.370 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.378 2.874 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.364 3.019 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.508 4.353 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.348 4.219 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.510 5.722 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.083 5.324 -0.480 1.00 0.00 H new ATOM 625 N GLU A 38 -3.061 5.188 -5.176 1.00 0.00 N ATOM 626 CA GLU A 38 -4.366 4.983 -5.849 1.00 0.00 C ATOM 627 C GLU A 38 -4.461 3.599 -6.524 1.00 0.00 C ATOM 628 O GLU A 38 -5.318 2.820 -6.104 1.00 0.00 O ATOM 629 CB GLU A 38 -4.680 6.078 -6.879 1.00 0.00 C ATOM 630 CG GLU A 38 -5.918 6.887 -6.491 1.00 0.00 C ATOM 631 CD GLU A 38 -6.975 6.791 -7.586 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.573 5.697 -7.678 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.170 7.806 -8.288 1.00 0.00 O ATOM 0 H GLU A 38 -2.605 6.064 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.111 5.039 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.824 6.746 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.836 5.623 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.324 6.515 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.644 7.930 -6.330 1.00 0.00 H new ATOM 640 N PRO A 39 -3.484 3.191 -7.363 1.00 0.00 N ATOM 641 CA PRO A 39 -3.467 1.828 -7.907 1.00 0.00 C ATOM 642 C PRO A 39 -3.147 0.777 -6.839 1.00 0.00 C ATOM 643 O PRO A 39 -3.704 -0.306 -6.938 1.00 0.00 O ATOM 644 CB PRO A 39 -2.462 1.850 -9.058 1.00 0.00 C ATOM 645 CG PRO A 39 -1.450 2.899 -8.614 1.00 0.00 C ATOM 646 CD PRO A 39 -2.317 3.928 -7.891 1.00 0.00 C ATOM 0 HA PRO A 39 -4.451 1.532 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.995 0.876 -9.204 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.936 2.121 -10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.692 2.475 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.925 3.338 -9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.762 4.406 -7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.632 4.718 -8.572 1.00 0.00 H new ATOM 654 N LEU A 40 -2.513 1.157 -5.726 1.00 0.00 N ATOM 655 CA LEU A 40 -2.221 0.224 -4.614 1.00 0.00 C ATOM 656 C LEU A 40 -3.467 -0.187 -3.811 1.00 0.00 C ATOM 657 O LEU A 40 -3.427 -1.151 -3.050 1.00 0.00 O ATOM 658 CB LEU A 40 -1.165 0.768 -3.647 1.00 0.00 C ATOM 659 CG LEU A 40 0.158 1.231 -4.266 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.132 1.439 -3.121 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.794 0.238 -5.231 1.00 0.00 C ATOM 0 H LEU A 40 -2.187 2.110 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.828 -0.663 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.600 1.608 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.945 -0.006 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.057 2.130 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.092 1.771 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.739 2.195 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.266 0.501 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.725 0.652 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.002 -0.695 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.111 0.046 -6.058 1.00 0.00 H new ATOM 673 N HIS A 41 -4.545 0.573 -3.989 1.00 0.00 N ATOM 674 CA HIS A 41 -5.890 0.260 -3.472 1.00 0.00 C ATOM 675 C HIS A 41 -6.622 -0.727 -4.392 1.00 0.00 C ATOM 676 O HIS A 41 -7.109 -1.755 -3.933 1.00 0.00 O ATOM 677 CB HIS A 41 -6.678 1.573 -3.369 1.00 0.00 C ATOM 678 CG HIS A 41 -8.138 1.387 -2.952 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.607 0.624 -1.966 1.00 0.00 N ATOM 680 CD2 HIS A 41 -9.168 1.770 -3.699 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.923 0.520 -2.122 1.00 0.00 C ATOM 682 NE2 HIS A 41 -10.271 1.237 -3.188 1.00 0.00 N ATOM 0 H HIS A 41 -4.514 1.449 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.803 -0.211 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.185 2.226 -2.649 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.647 2.081 -4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.117 2.405 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.593 -0.047 -1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.218 1.356 -3.548 1.00 0.00 H new ATOM 690 N ALA A 42 -6.588 -0.432 -5.690 1.00 0.00 N ATOM 691 CA ALA A 42 -7.299 -1.206 -6.725 1.00 0.00 C ATOM 692 C ALA A 42 -6.585 -2.519 -7.062 1.00 0.00 C ATOM 693 O ALA A 42 -7.185 -3.575 -6.910 1.00 0.00 O ATOM 694 CB ALA A 42 -7.494 -0.356 -7.981 1.00 0.00 C ATOM 0 H ALA A 42 -6.063 0.358 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.276 -1.472 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.020 -0.939 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.079 0.530 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.522 -0.052 -8.369 1.00 0.00 H new ATOM 700 N MET A 43 -5.263 -2.465 -7.203 1.00 0.00 N ATOM 701 CA MET A 43 -4.414 -3.660 -7.380 1.00 0.00 C ATOM 702 C MET A 43 -4.472 -4.585 -6.147 1.00 0.00 C ATOM 703 O MET A 43 -3.999 -5.710 -6.176 1.00 0.00 O ATOM 704 CB MET A 43 -2.964 -3.257 -7.688 1.00 0.00 C ATOM 705 CG MET A 43 -2.144 -2.874 -6.453 1.00 0.00 C ATOM 706 SD MET A 43 -0.390 -2.580 -6.841 1.00 0.00 S ATOM 707 CE MET A 43 0.298 -3.294 -5.366 1.00 0.00 C ATOM 0 H MET A 43 -4.739 -1.590 -7.199 1.00 0.00 H new ATOM 0 HA MET A 43 -4.806 -4.218 -8.230 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.469 -4.084 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.972 -2.415 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.568 -1.976 -6.004 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.220 -3.668 -5.710 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.109 -3.971 -5.634 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.683 -2.502 -4.724 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.476 -3.847 -4.834 1.00 0.00 H new ATOM 717 N MET A 44 -4.888 -4.048 -5.012 1.00 0.00 N ATOM 718 CA MET A 44 -5.005 -4.841 -3.780 1.00 0.00 C ATOM 719 C MET A 44 -6.460 -5.291 -3.541 1.00 0.00 C ATOM 720 O MET A 44 -6.686 -6.350 -2.965 1.00 0.00 O ATOM 721 CB MET A 44 -4.377 -4.020 -2.651 1.00 0.00 C ATOM 722 CG MET A 44 -4.126 -4.796 -1.358 1.00 0.00 C ATOM 723 SD MET A 44 -5.622 -4.943 -0.321 1.00 0.00 S ATOM 724 CE MET A 44 -5.696 -6.717 -0.196 1.00 0.00 C ATOM 0 H MET A 44 -5.152 -3.068 -4.909 1.00 0.00 H new ATOM 0 HA MET A 44 -4.460 -5.783 -3.845 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.430 -3.610 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.028 -3.174 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.760 -5.793 -1.603 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.341 -4.299 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.736 -7.033 -0.110 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.254 -7.163 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.143 -7.043 0.685 1.00 0.00 H new ATOM 734 N GLU A 45 -7.401 -4.670 -4.245 1.00 0.00 N ATOM 735 CA GLU A 45 -8.836 -4.973 -4.101 1.00 0.00 C ATOM 736 C GLU A 45 -9.387 -5.829 -5.255 1.00 0.00 C ATOM 737 O GLU A 45 -10.202 -6.710 -5.007 1.00 0.00 O ATOM 738 CB GLU A 45 -9.602 -3.654 -3.946 1.00 0.00 C ATOM 739 CG GLU A 45 -11.024 -3.837 -3.402 1.00 0.00 C ATOM 740 CD GLU A 45 -12.030 -4.364 -4.434 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.954 -3.908 -5.598 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.883 -5.176 -4.020 1.00 0.00 O ATOM 0 H GLU A 45 -7.200 -3.943 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.975 -5.583 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.047 -2.996 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.652 -3.156 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.992 -4.526 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.380 -2.881 -3.020 1.00 0.00 H new ATOM 749 N ARG A 46 -8.892 -5.601 -6.472 1.00 0.00 N ATOM 750 CA ARG A 46 -9.247 -6.357 -7.691 1.00 0.00 C ATOM 751 C ARG A 46 -9.110 -7.877 -7.489 1.00 0.00 C ATOM 752 O ARG A 46 -9.861 -8.660 -8.070 1.00 0.00 O ATOM 753 CB ARG A 46 -8.326 -5.862 -8.809 1.00 0.00 C ATOM 754 CG ARG A 46 -9.061 -5.809 -10.146 1.00 0.00 C ATOM 755 CD ARG A 46 -8.234 -5.059 -11.194 1.00 0.00 C ATOM 756 NE ARG A 46 -8.757 -5.356 -12.541 1.00 0.00 N ATOM 757 CZ ARG A 46 -8.597 -6.503 -13.209 1.00 0.00 C ATOM 758 NH1 ARG A 46 -7.907 -7.518 -12.702 1.00 0.00 N ATOM 759 NH2 ARG A 46 -9.137 -6.661 -14.407 1.00 0.00 N ATOM 0 H ARG A 46 -8.211 -4.863 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.293 -6.186 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.947 -4.871 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.462 -6.522 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.265 -6.822 -10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.025 -5.316 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.275 -3.986 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.187 -5.355 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.289 -4.620 -13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.482 -7.435 -11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.802 -8.381 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.679 -5.905 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.011 -7.539 -14.911 1.00 0.00 H new ATOM 773 N GLY A 47 -8.151 -8.247 -6.632 1.00 0.00 N ATOM 774 CA GLY A 47 -7.978 -9.639 -6.189 1.00 0.00 C ATOM 775 C GLY A 47 -6.772 -10.290 -6.880 1.00 0.00 C ATOM 776 O GLY A 47 -6.365 -9.844 -7.951 1.00 0.00 O ATOM 0 H GLY A 47 -7.477 -7.597 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.841 -9.666 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.880 -10.210 -6.410 1.00 0.00 H new ATOM 780 N PRO A 48 -6.133 -11.272 -6.227 1.00 0.00 N ATOM 781 CA PRO A 48 -5.008 -11.994 -6.841 1.00 0.00 C ATOM 782 C PRO A 48 -5.473 -12.858 -8.020 1.00 0.00 C ATOM 783 O PRO A 48 -6.649 -13.188 -8.148 1.00 0.00 O ATOM 784 CB PRO A 48 -4.424 -12.829 -5.708 1.00 0.00 C ATOM 785 CG PRO A 48 -5.618 -13.096 -4.791 1.00 0.00 C ATOM 786 CD PRO A 48 -6.439 -11.809 -4.885 1.00 0.00 C ATOM 0 HA PRO A 48 -4.265 -11.320 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.990 -13.758 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.631 -12.294 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.191 -13.962 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.301 -13.295 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.504 -12.009 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.161 -11.103 -4.102 1.00 0.00 H new ATOM 794 N GLN A 49 -4.522 -13.123 -8.907 1.00 0.00 N ATOM 795 CA GLN A 49 -4.750 -13.964 -10.095 1.00 0.00 C ATOM 796 C GLN A 49 -4.057 -15.327 -9.927 1.00 0.00 C ATOM 797 O GLN A 49 -4.693 -16.281 -9.493 1.00 0.00 O ATOM 798 CB GLN A 49 -4.299 -13.203 -11.355 1.00 0.00 C ATOM 799 CG GLN A 49 -4.341 -14.069 -12.624 1.00 0.00 C ATOM 800 CD GLN A 49 -5.416 -13.638 -13.615 1.00 0.00 C ATOM 801 OE1 GLN A 49 -5.470 -12.506 -14.067 1.00 0.00 O ATOM 802 NE2 GLN A 49 -6.210 -14.585 -14.062 1.00 0.00 N ATOM 0 H GLN A 49 -3.570 -12.766 -8.831 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.813 -14.176 -10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.938 -12.331 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.284 -12.834 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.368 -14.030 -13.114 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.513 -15.107 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.151 -15.526 -13.673 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.885 -14.379 -14.798 1.00 0.00 H new ATOM 811 N THR A 50 -2.763 -15.352 -10.252 1.00 0.00 N ATOM 812 CA THR A 50 -1.887 -16.543 -10.223 1.00 0.00 C ATOM 813 C THR A 50 -1.926 -17.218 -8.843 1.00 0.00 C ATOM 814 O THR A 50 -2.830 -18.004 -8.581 1.00 0.00 O ATOM 815 CB THR A 50 -0.461 -16.237 -10.768 1.00 0.00 C ATOM 816 OG1 THR A 50 0.470 -17.243 -10.356 1.00 0.00 O ATOM 817 CG2 THR A 50 0.096 -14.848 -10.423 1.00 0.00 C ATOM 0 H THR A 50 -2.269 -14.513 -10.556 1.00 0.00 H new ATOM 0 HA THR A 50 -2.280 -17.284 -10.919 1.00 0.00 H new ATOM 0 HB THR A 50 -0.583 -16.243 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.359 -17.031 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.093 -14.739 -10.850 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.560 -14.081 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.151 -14.737 -9.340 1.00 0.00 H new ATOM 825 N LEU A 51 -1.023 -16.769 -7.975 1.00 0.00 N ATOM 826 CA LEU A 51 -0.790 -17.215 -6.581 1.00 0.00 C ATOM 827 C LEU A 51 0.581 -16.746 -6.064 1.00 0.00 C ATOM 828 O LEU A 51 1.325 -17.464 -5.395 1.00 0.00 O ATOM 829 CB LEU A 51 -0.915 -18.741 -6.439 1.00 0.00 C ATOM 830 CG LEU A 51 -2.218 -19.094 -5.721 1.00 0.00 C ATOM 831 CD1 LEU A 51 -2.861 -20.328 -6.357 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.927 -19.359 -4.244 1.00 0.00 C ATOM 0 H LEU A 51 -0.378 -16.024 -8.238 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.567 -16.755 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.894 -19.209 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.065 -19.134 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.912 -18.258 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.787 -20.566 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.078 -20.126 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.176 -21.173 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.855 -19.611 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.226 -20.189 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.493 -18.467 -3.793 1.00 0.00 H new ATOM 844 N LYS A 52 0.925 -15.514 -6.425 1.00 0.00 N ATOM 845 CA LYS A 52 2.219 -14.930 -6.022 1.00 0.00 C ATOM 846 C LYS A 52 2.008 -13.643 -5.204 1.00 0.00 C ATOM 847 O LYS A 52 2.550 -13.476 -4.113 1.00 0.00 O ATOM 848 CB LYS A 52 3.140 -14.706 -7.234 1.00 0.00 C ATOM 849 CG LYS A 52 3.321 -15.932 -8.139 1.00 0.00 C ATOM 850 CD LYS A 52 4.730 -16.018 -8.731 1.00 0.00 C ATOM 851 CE LYS A 52 5.596 -16.958 -7.889 1.00 0.00 C ATOM 852 NZ LYS A 52 6.991 -16.984 -8.349 1.00 0.00 N ATOM 0 H LYS A 52 0.339 -14.899 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 52 2.726 -15.646 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.739 -13.887 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.119 -14.389 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.115 -16.836 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.592 -15.894 -8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.680 -16.379 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.181 -15.026 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.564 -16.643 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.182 -17.966 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.542 -17.633 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.025 -17.310 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.395 -16.028 -8.286 1.00 0.00 H new ATOM 866 N GLU A 53 1.142 -12.764 -5.712 1.00 0.00 N ATOM 867 CA GLU A 53 0.735 -11.517 -5.023 1.00 0.00 C ATOM 868 C GLU A 53 -0.294 -11.715 -3.892 1.00 0.00 C ATOM 869 O GLU A 53 -1.307 -11.021 -3.806 1.00 0.00 O ATOM 870 CB GLU A 53 0.289 -10.462 -6.050 1.00 0.00 C ATOM 871 CG GLU A 53 -0.889 -10.884 -6.934 1.00 0.00 C ATOM 872 CD GLU A 53 -0.511 -10.898 -8.414 1.00 0.00 C ATOM 873 OE1 GLU A 53 -0.146 -9.828 -8.940 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.500 -12.035 -8.936 1.00 0.00 O ATOM 0 H GLU A 53 0.694 -12.890 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 53 1.621 -11.148 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.018 -9.550 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.136 -10.218 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.230 -11.876 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.723 -10.200 -6.778 1.00 0.00 H new ATOM 881 N THR A 54 0.075 -12.578 -2.948 1.00 0.00 N ATOM 882 CA THR A 54 -0.788 -13.022 -1.822 1.00 0.00 C ATOM 883 C THR A 54 0.060 -13.639 -0.688 1.00 0.00 C ATOM 884 O THR A 54 -0.294 -14.606 -0.024 1.00 0.00 O ATOM 885 CB THR A 54 -1.924 -13.934 -2.356 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.746 -13.133 -3.202 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.879 -14.548 -1.324 1.00 0.00 C ATOM 0 H THR A 54 1.001 -13.006 -2.932 1.00 0.00 H new ATOM 0 HA THR A 54 -1.283 -12.165 -1.365 1.00 0.00 H new ATOM 0 HB THR A 54 -1.404 -14.768 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.453 -12.199 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.622 -15.161 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.313 -15.168 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.381 -13.752 -0.774 1.00 0.00 H new ATOM 895 N SER A 55 1.128 -12.921 -0.352 1.00 0.00 N ATOM 896 CA SER A 55 1.996 -13.286 0.799 1.00 0.00 C ATOM 897 C SER A 55 1.961 -12.263 1.943 1.00 0.00 C ATOM 898 O SER A 55 2.530 -12.441 3.013 1.00 0.00 O ATOM 899 CB SER A 55 3.447 -13.522 0.372 1.00 0.00 C ATOM 900 OG SER A 55 3.517 -14.728 -0.391 1.00 0.00 O ATOM 0 H SER A 55 1.425 -12.082 -0.850 1.00 0.00 H new ATOM 0 HA SER A 55 1.576 -14.218 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.807 -12.681 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.091 -13.593 1.249 1.00 0.00 H new ATOM 0 HG SER A 55 4.443 -14.885 -0.670 1.00 0.00 H new ATOM 906 N PHE A 56 1.196 -11.213 1.683 1.00 0.00 N ATOM 907 CA PHE A 56 1.006 -10.036 2.543 1.00 0.00 C ATOM 908 C PHE A 56 -0.456 -9.859 2.957 1.00 0.00 C ATOM 909 O PHE A 56 -0.711 -9.561 4.112 1.00 0.00 O ATOM 910 CB PHE A 56 1.540 -8.799 1.816 1.00 0.00 C ATOM 911 CG PHE A 56 1.175 -8.748 0.324 1.00 0.00 C ATOM 912 CD1 PHE A 56 1.895 -9.539 -0.556 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.118 -7.979 -0.128 1.00 0.00 C ATOM 914 CE1 PHE A 56 1.552 -9.565 -1.909 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.203 -7.974 -1.485 1.00 0.00 C ATOM 916 CZ PHE A 56 0.516 -8.772 -2.366 1.00 0.00 C ATOM 0 H PHE A 56 0.657 -11.148 0.819 1.00 0.00 H new ATOM 0 HA PHE A 56 1.565 -10.180 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.152 -7.906 2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.625 -8.771 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.721 -10.135 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.456 -7.385 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.093 -10.201 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.007 -7.352 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.264 -8.773 -3.416 1.00 0.00 H new ATOM 926 N ASN A 57 -1.400 -10.180 2.081 1.00 0.00 N ATOM 927 CA ASN A 57 -2.830 -10.219 2.449 1.00 0.00 C ATOM 928 C ASN A 57 -3.191 -11.433 3.333 1.00 0.00 C ATOM 929 O ASN A 57 -4.091 -11.363 4.164 1.00 0.00 O ATOM 930 CB ASN A 57 -3.673 -10.167 1.173 1.00 0.00 C ATOM 931 CG ASN A 57 -5.179 -10.141 1.456 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.668 -9.631 2.452 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.940 -10.694 0.543 1.00 0.00 N ATOM 0 H ASN A 57 -1.212 -10.419 1.107 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.051 -9.346 3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.401 -9.281 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.439 -11.033 0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.953 -10.702 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.519 -11.117 -0.284 1.00 0.00 H new ATOM 940 N GLN A 58 -2.397 -12.497 3.224 1.00 0.00 N ATOM 941 CA GLN A 58 -2.615 -13.734 3.998 1.00 0.00 C ATOM 942 C GLN A 58 -2.132 -13.624 5.459 1.00 0.00 C ATOM 943 O GLN A 58 -2.643 -14.313 6.339 1.00 0.00 O ATOM 944 CB GLN A 58 -1.952 -14.906 3.268 1.00 0.00 C ATOM 945 CG GLN A 58 -2.620 -16.245 3.611 1.00 0.00 C ATOM 946 CD GLN A 58 -4.094 -16.279 3.188 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.461 -16.086 2.037 1.00 0.00 O ATOM 948 NE2 GLN A 58 -4.978 -16.475 4.141 1.00 0.00 N ATOM 0 H GLN A 58 -1.588 -12.534 2.604 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.689 -13.908 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.004 -14.740 2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.896 -14.949 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.083 -17.055 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.547 -16.422 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.668 -16.636 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.974 -16.467 3.922 1.00 0.00 H new ATOM 957 N ALA A 59 -1.187 -12.709 5.685 1.00 0.00 N ATOM 958 CA ALA A 59 -0.567 -12.457 7.003 1.00 0.00 C ATOM 959 C ALA A 59 -0.896 -11.041 7.515 1.00 0.00 C ATOM 960 O ALA A 59 -1.750 -10.862 8.378 1.00 0.00 O ATOM 961 CB ALA A 59 0.945 -12.693 6.898 1.00 0.00 C ATOM 0 H ALA A 59 -0.819 -12.107 4.948 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.979 -13.151 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.410 -12.509 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.132 -13.723 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.369 -12.015 6.157 1.00 0.00 H new ATOM 967 N TYR A 60 -0.442 -10.047 6.752 1.00 0.00 N ATOM 968 CA TYR A 60 -0.690 -8.609 6.973 1.00 0.00 C ATOM 969 C TYR A 60 -2.008 -8.141 6.312 1.00 0.00 C ATOM 970 O TYR A 60 -2.121 -7.012 5.825 1.00 0.00 O ATOM 971 CB TYR A 60 0.506 -7.825 6.416 1.00 0.00 C ATOM 972 CG TYR A 60 1.814 -8.086 7.174 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.982 -7.561 8.445 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.830 -8.791 6.555 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.194 -7.746 9.115 1.00 0.00 C ATOM 976 CE2 TYR A 60 4.045 -8.975 7.222 1.00 0.00 C ATOM 977 CZ TYR A 60 4.203 -8.464 8.499 1.00 0.00 C ATOM 978 OH TYR A 60 5.330 -8.768 9.199 1.00 0.00 O ATOM 0 H TYR A 60 0.133 -10.221 5.928 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.798 -8.426 8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.645 -8.086 5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.281 -6.759 6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.180 -7.011 8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.686 -9.196 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.341 -7.333 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.853 -9.511 6.746 1.00 0.00 H new ATOM 0 HH TYR A 60 5.943 -9.276 8.628 1.00 0.00 H new ATOM 988 N GLY A 61 -3.047 -8.975 6.477 1.00 0.00 N ATOM 989 CA GLY A 61 -4.419 -8.698 5.989 1.00 0.00 C ATOM 990 C GLY A 61 -5.051 -7.485 6.693 1.00 0.00 C ATOM 991 O GLY A 61 -5.829 -6.728 6.128 1.00 0.00 O ATOM 0 H GLY A 61 -2.963 -9.871 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.391 -8.519 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.044 -9.576 6.150 1.00 0.00 H new ATOM 995 N ARG A 62 -4.579 -7.227 7.904 1.00 0.00 N ATOM 996 CA ARG A 62 -4.988 -6.057 8.705 1.00 0.00 C ATOM 997 C ARG A 62 -4.051 -4.849 8.573 1.00 0.00 C ATOM 998 O ARG A 62 -4.349 -3.761 9.065 1.00 0.00 O ATOM 999 CB ARG A 62 -5.124 -6.475 10.164 1.00 0.00 C ATOM 1000 CG ARG A 62 -6.555 -6.933 10.432 1.00 0.00 C ATOM 1001 CD ARG A 62 -6.657 -7.568 11.818 1.00 0.00 C ATOM 1002 NE ARG A 62 -8.074 -7.765 12.172 1.00 0.00 N ATOM 1003 CZ ARG A 62 -8.901 -6.837 12.664 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -8.506 -5.592 12.895 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -10.157 -7.151 12.940 1.00 0.00 N ATOM 0 H ARG A 62 -3.895 -7.822 8.372 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.947 -5.721 8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.425 -7.281 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.870 -5.641 10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.235 -6.084 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.863 -7.651 9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.133 -8.524 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.173 -6.930 12.557 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.460 -8.698 12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.544 -5.317 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.164 -4.910 13.271 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.493 -8.100 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.789 -6.444 13.315 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.955 -5.046 7.845 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.960 -3.991 7.607 1.00 0.00 C ATOM 1021 C ASP A 63 -2.386 -3.161 6.378 1.00 0.00 C ATOM 1022 O ASP A 63 -3.567 -2.845 6.290 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.599 -4.675 7.499 1.00 0.00 C ATOM 1024 CG ASP A 63 0.512 -3.720 7.915 1.00 0.00 C ATOM 1025 OD1 ASP A 63 0.565 -2.640 7.288 1.00 0.00 O ATOM 1026 OD2 ASP A 63 1.313 -4.123 8.778 1.00 0.00 O ATOM 0 H ASP A 63 -2.727 -5.936 7.403 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.889 -3.268 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.580 -5.562 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.434 -5.010 6.475 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.464 -2.746 5.504 1.00 0.00 N ATOM 1032 CA LEU A 64 -1.735 -1.963 4.275 1.00 0.00 C ATOM 1033 C LEU A 64 -3.063 -2.317 3.592 1.00 0.00 C ATOM 1034 O LEU A 64 -3.859 -1.412 3.365 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.597 -2.109 3.264 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.355 -0.893 2.352 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.693 -1.306 1.336 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -1.549 -0.379 1.548 1.00 0.00 C ATOM 0 H LEU A 64 -0.472 -2.948 5.629 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.810 -0.929 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.323 -2.321 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.802 -2.976 2.636 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.079 -0.082 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.898 -0.472 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.610 -1.589 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.326 -2.154 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.242 0.478 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.913 -1.169 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.345 -0.079 2.230 1.00 0.00 H new ATOM 1050 N MET A 65 -3.358 -3.604 3.443 1.00 0.00 N ATOM 1051 CA MET A 65 -4.678 -4.109 2.995 1.00 0.00 C ATOM 1052 C MET A 65 -5.843 -3.262 3.559 1.00 0.00 C ATOM 1053 O MET A 65 -6.482 -2.508 2.830 1.00 0.00 O ATOM 1054 CB MET A 65 -4.766 -5.576 3.438 1.00 0.00 C ATOM 1055 CG MET A 65 -6.082 -6.311 3.135 1.00 0.00 C ATOM 1056 SD MET A 65 -7.584 -5.730 4.008 1.00 0.00 S ATOM 1057 CE MET A 65 -8.640 -7.143 3.794 1.00 0.00 C ATOM 0 H MET A 65 -2.685 -4.348 3.630 1.00 0.00 H new ATOM 0 HA MET A 65 -4.769 -4.032 1.911 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.953 -6.124 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.593 -5.618 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.267 -6.245 2.063 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.942 -7.366 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.602 -6.954 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.791 -7.326 2.730 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.175 -8.017 4.250 1.00 0.00 H new ATOM 1067 N GLU A 66 -5.900 -3.216 4.889 1.00 0.00 N ATOM 1068 CA GLU A 66 -6.899 -2.455 5.656 1.00 0.00 C ATOM 1069 C GLU A 66 -6.514 -0.968 5.791 1.00 0.00 C ATOM 1070 O GLU A 66 -7.358 -0.115 5.530 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.118 -3.143 7.008 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.377 -2.632 7.717 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.510 -3.652 7.920 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -9.570 -4.648 7.169 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.318 -3.394 8.839 1.00 0.00 O ATOM 0 H GLU A 66 -5.239 -3.717 5.482 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.846 -2.453 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.199 -4.220 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.250 -2.974 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.086 -2.246 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.772 -1.791 7.147 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.217 -0.684 5.926 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.637 0.683 5.962 1.00 0.00 C ATOM 1084 C ALA A 67 -4.965 1.548 4.729 1.00 0.00 C ATOM 1085 O ALA A 67 -4.773 2.761 4.741 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.114 0.606 6.087 1.00 0.00 C ATOM 0 H ALA A 67 -4.510 -1.413 6.017 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.095 1.161 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.700 1.614 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.850 0.082 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.706 0.067 5.232 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.310 0.863 3.644 1.00 0.00 N ATOM 1093 CA GLN A 68 -5.715 1.451 2.359 1.00 0.00 C ATOM 1094 C GLN A 68 -7.198 1.216 2.035 1.00 0.00 C ATOM 1095 O GLN A 68 -7.811 2.066 1.391 1.00 0.00 O ATOM 1096 CB GLN A 68 -4.838 0.836 1.267 1.00 0.00 C ATOM 1097 CG GLN A 68 -5.244 1.285 -0.135 1.00 0.00 C ATOM 1098 CD GLN A 68 -4.153 2.042 -0.876 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -3.030 1.593 -1.041 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -4.530 3.165 -1.443 1.00 0.00 N ATOM 0 H GLN A 68 -5.318 -0.157 3.628 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.583 2.531 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.798 1.109 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.897 -0.251 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.527 0.409 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.128 1.919 -0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.474 3.521 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.879 3.681 -2.035 1.00 0.00 H new ATOM 1109 N GLU A 69 -7.740 0.050 2.411 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.155 -0.295 2.135 1.00 0.00 C ATOM 1111 C GLU A 69 -10.125 0.819 2.560 1.00 0.00 C ATOM 1112 O GLU A 69 -11.242 0.901 2.049 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.578 -1.614 2.797 1.00 0.00 C ATOM 1114 CG GLU A 69 -9.903 -1.478 4.291 1.00 0.00 C ATOM 1115 CD GLU A 69 -10.438 -2.759 4.913 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -9.851 -3.819 4.616 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -11.321 -2.621 5.786 1.00 0.00 O ATOM 0 H GLU A 69 -7.225 -0.676 2.908 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.213 -0.414 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.453 -2.007 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.779 -2.345 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.003 -1.172 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.638 -0.684 4.424 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.686 1.590 3.557 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.318 2.827 4.038 1.00 0.00 C ATOM 1126 C TRP A 70 -10.308 3.917 2.946 1.00 0.00 C ATOM 1127 O TRP A 70 -10.037 5.087 3.198 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.559 3.288 5.294 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.500 2.275 6.439 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -8.403 1.985 7.134 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.501 1.417 6.893 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.650 0.991 7.989 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.926 0.618 7.853 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.852 1.283 6.586 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -10.678 -0.350 8.509 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.605 0.297 7.229 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -12.026 -0.509 8.183 1.00 0.00 C ATOM 0 H TRP A 70 -8.840 1.360 4.078 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.364 2.642 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.539 3.545 5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.025 4.201 5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.451 2.482 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.977 0.584 8.638 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.313 1.934 5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.223 -0.974 9.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.647 0.167 6.976 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.615 -1.265 8.680 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.705 3.520 1.740 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.843 4.403 0.571 1.00 0.00 C ATOM 1150 C CYS A 71 -12.131 5.216 0.675 1.00 0.00 C ATOM 1151 O CYS A 71 -12.030 6.428 0.791 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.831 3.628 -0.744 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.849 4.738 -2.202 1.00 0.00 S ATOM 0 H CYS A 71 -10.948 2.550 1.537 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.982 5.071 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.945 2.995 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.697 2.967 -0.782 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.649 4.041 -3.281 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.261 4.558 0.942 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.549 5.256 1.171 1.00 0.00 C ATOM 1161 C ARG A 72 -14.490 6.198 2.395 1.00 0.00 C ATOM 1162 O ARG A 72 -15.104 7.263 2.405 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.686 4.229 1.271 1.00 0.00 C ATOM 1164 CG ARG A 72 -17.062 4.888 1.109 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.772 5.111 2.447 1.00 0.00 C ATOM 1166 NE ARG A 72 -18.648 3.959 2.732 1.00 0.00 N ATOM 1167 CZ ARG A 72 -19.363 3.762 3.840 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -19.287 4.576 4.884 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -20.161 2.707 3.931 1.00 0.00 N ATOM 0 H ARG A 72 -13.321 3.542 1.007 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.751 5.901 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.555 3.466 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.636 3.723 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.944 5.845 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.687 4.263 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.039 5.231 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.359 6.029 2.412 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.713 3.242 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.666 5.385 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.849 4.393 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.227 2.049 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.709 2.554 4.777 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.530 5.914 3.272 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.244 6.721 4.469 1.00 0.00 C ATOM 1185 C LYS A 73 -12.266 7.858 4.125 1.00 0.00 C ATOM 1186 O LYS A 73 -12.663 9.013 4.183 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.737 5.786 5.567 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.548 5.926 6.859 1.00 0.00 C ATOM 1189 CD LYS A 73 -12.910 6.941 7.810 1.00 0.00 C ATOM 1190 CE LYS A 73 -13.604 7.027 9.173 1.00 0.00 C ATOM 1191 NZ LYS A 73 -14.884 7.752 9.130 1.00 0.00 N ATOM 0 H LYS A 73 -12.916 5.105 3.175 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.144 7.211 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.787 4.755 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.688 6.002 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.565 6.238 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.619 4.957 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.863 6.677 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.926 7.925 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.778 6.019 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.939 7.521 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.286 7.804 10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.726 8.714 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.546 7.251 8.504 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.142 7.567 3.484 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.227 8.596 2.942 1.00 0.00 C ATOM 1207 C TYR A 74 -10.859 9.532 1.878 1.00 0.00 C ATOM 1208 O TYR A 74 -10.422 10.663 1.705 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.978 7.848 2.462 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.179 8.513 1.336 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.721 9.811 1.472 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.118 7.856 0.121 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -7.223 10.473 0.353 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -7.578 8.505 -0.989 1.00 0.00 C ATOM 1215 CZ TYR A 74 -7.163 9.817 -0.864 1.00 0.00 C ATOM 1216 OH TYR A 74 -6.869 10.521 -1.990 1.00 0.00 O ATOM 0 H TYR A 74 -10.827 6.611 3.318 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.967 9.311 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.315 7.707 3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.281 6.856 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.749 10.304 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.487 6.845 0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.885 11.495 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.485 7.989 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.069 11.065 -1.836 1.00 0.00 H new ATOM 1226 N MET A 75 -11.891 9.051 1.197 1.00 0.00 N ATOM 1227 CA MET A 75 -12.635 9.787 0.156 1.00 0.00 C ATOM 1228 C MET A 75 -13.732 10.703 0.712 1.00 0.00 C ATOM 1229 O MET A 75 -13.754 11.892 0.404 1.00 0.00 O ATOM 1230 CB MET A 75 -13.234 8.780 -0.830 1.00 0.00 C ATOM 1231 CG MET A 75 -12.260 8.478 -1.969 1.00 0.00 C ATOM 1232 SD MET A 75 -12.390 9.735 -3.292 1.00 0.00 S ATOM 1233 CE MET A 75 -10.673 9.992 -3.673 1.00 0.00 C ATOM 0 H MET A 75 -12.253 8.110 1.351 1.00 0.00 H new ATOM 0 HA MET A 75 -11.925 10.446 -0.344 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.483 7.857 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.164 9.175 -1.238 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.241 8.454 -1.584 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.469 7.490 -2.379 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.583 10.735 -4.466 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.152 10.346 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.229 9.053 -4.004 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.567 10.149 1.589 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.706 10.896 2.152 1.00 0.00 C ATOM 1245 C LYS A 76 -15.341 11.590 3.472 1.00 0.00 C ATOM 1246 O LYS A 76 -15.564 12.784 3.637 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.885 9.945 2.348 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.190 10.664 2.017 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.374 9.713 2.156 1.00 0.00 C ATOM 1250 CE LYS A 76 -20.644 10.363 1.609 1.00 0.00 C ATOM 1251 NZ LYS A 76 -21.775 9.433 1.708 1.00 0.00 N ATOM 0 H LYS A 76 -14.483 9.191 1.928 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.983 11.682 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.769 9.070 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.908 9.586 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.321 11.517 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.148 11.056 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.171 8.787 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.515 9.448 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.863 11.274 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.493 10.654 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.632 9.887 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.568 8.575 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.927 9.176 2.704 1.00 0.00 H new ATOM 1265 N SER A 77 -14.661 10.846 4.342 1.00 0.00 N ATOM 1266 CA SER A 77 -14.153 11.381 5.619 1.00 0.00 C ATOM 1267 C SER A 77 -12.916 12.253 5.350 1.00 0.00 C ATOM 1268 O SER A 77 -12.742 13.256 6.039 1.00 0.00 O ATOM 1269 CB SER A 77 -13.832 10.228 6.578 1.00 0.00 C ATOM 1270 OG SER A 77 -13.734 10.624 7.948 1.00 0.00 O ATOM 0 H SER A 77 -14.444 9.861 4.190 1.00 0.00 H new ATOM 0 HA SER A 77 -14.914 12.003 6.091 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.605 9.465 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.892 9.768 6.275 1.00 0.00 H new ATOM 0 HG SER A 77 -13.102 10.037 8.414 1.00 0.00 H new ATOM 1276 N GLY A 78 -12.060 11.838 4.390 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.875 12.613 3.949 1.00 0.00 C ATOM 1278 C GLY A 78 -10.017 13.109 5.118 1.00 0.00 C ATOM 1279 O GLY A 78 -9.319 14.121 5.038 1.00 0.00 O ATOM 0 H GLY A 78 -12.171 10.952 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.264 11.991 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.205 13.468 3.359 1.00 0.00 H new ATOM 1283 N ASN A 79 -10.042 12.313 6.175 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.474 12.700 7.462 1.00 0.00 C ATOM 1285 C ASN A 79 -8.188 11.914 7.642 1.00 0.00 C ATOM 1286 O ASN A 79 -8.127 10.697 7.445 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.481 12.398 8.577 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.907 13.677 9.303 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -10.095 14.511 9.682 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -12.181 13.780 9.609 1.00 0.00 N ATOM 0 H ASN A 79 -10.456 11.381 6.168 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.257 13.767 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.358 11.908 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.039 11.702 9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.508 14.565 10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.842 13.075 9.284 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.195 12.665 8.102 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.882 12.106 8.486 1.00 0.00 C ATOM 1299 C VAL A 80 -6.063 10.997 9.539 1.00 0.00 C ATOM 1300 O VAL A 80 -5.202 10.141 9.635 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.889 13.199 8.937 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.503 12.642 9.297 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.683 14.238 7.829 1.00 0.00 C ATOM 0 H VAL A 80 -7.265 13.675 8.223 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.434 11.654 7.601 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.336 13.646 9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.851 13.459 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.599 11.926 10.113 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.074 12.145 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.980 14.998 8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.286 13.748 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.637 14.708 7.589 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.236 10.880 10.153 1.00 0.00 N ATOM 1314 CA LYS A 81 -7.613 9.746 11.026 1.00 0.00 C ATOM 1315 C LYS A 81 -7.397 8.351 10.396 1.00 0.00 C ATOM 1316 O LYS A 81 -6.936 7.435 11.072 1.00 0.00 O ATOM 1317 CB LYS A 81 -9.044 9.940 11.549 1.00 0.00 C ATOM 1318 CG LYS A 81 -9.284 11.319 12.196 1.00 0.00 C ATOM 1319 CD LYS A 81 -8.177 11.751 13.172 1.00 0.00 C ATOM 1320 CE LYS A 81 -8.519 13.059 13.886 1.00 0.00 C ATOM 1321 NZ LYS A 81 -7.579 14.148 13.578 1.00 0.00 N ATOM 0 H LYS A 81 -7.974 11.578 10.063 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.923 9.759 11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.744 9.808 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.263 9.162 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.373 12.068 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.236 11.299 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.019 10.966 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.240 11.870 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.526 13.366 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.526 12.887 14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.863 15.007 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.620 13.872 13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.589 14.336 12.555 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.451 8.301 9.063 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.091 7.104 8.269 1.00 0.00 C ATOM 1337 C ASP A 82 -5.578 7.020 7.992 1.00 0.00 C ATOM 1338 O ASP A 82 -4.968 5.977 8.198 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.854 7.088 6.942 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.363 6.982 7.161 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.984 8.058 7.313 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.863 5.840 7.150 1.00 0.00 O ATOM 0 H ASP A 82 -7.747 9.092 8.491 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.372 6.236 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.630 7.996 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.514 6.248 6.336 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.971 8.176 7.724 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.530 8.328 7.451 1.00 0.00 C ATOM 1349 C LEU A 83 -2.624 8.167 8.678 1.00 0.00 C ATOM 1350 O LEU A 83 -1.709 7.367 8.637 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.244 9.666 6.753 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.107 9.567 5.226 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.911 8.691 4.843 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -4.398 9.080 4.559 1.00 0.00 C ATOM 0 H LEU A 83 -5.477 9.061 7.688 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.280 7.500 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.047 10.364 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.325 10.086 7.162 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.924 10.573 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.834 8.635 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.997 9.124 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.049 7.689 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.252 9.026 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.654 8.092 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.207 9.776 4.781 1.00 0.00 H new ATOM 1366 N THR A 84 -2.980 8.806 9.791 1.00 0.00 N ATOM 1367 CA THR A 84 -2.336 8.652 11.118 1.00 0.00 C ATOM 1368 C THR A 84 -2.222 7.174 11.537 1.00 0.00 C ATOM 1369 O THR A 84 -1.143 6.696 11.889 1.00 0.00 O ATOM 1370 CB THR A 84 -3.062 9.492 12.196 1.00 0.00 C ATOM 1371 OG1 THR A 84 -2.350 9.401 13.427 1.00 0.00 O ATOM 1372 CG2 THR A 84 -4.520 9.108 12.469 1.00 0.00 C ATOM 0 H THR A 84 -3.752 9.472 9.806 1.00 0.00 H new ATOM 0 HA THR A 84 -1.320 9.035 11.028 1.00 0.00 H new ATOM 0 HB THR A 84 -3.082 10.503 11.789 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.808 9.934 14.110 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.930 9.760 13.240 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.102 9.217 11.554 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.566 8.073 12.807 1.00 0.00 H new ATOM 1380 N GLN A 85 -3.287 6.418 11.276 1.00 0.00 N ATOM 1381 CA GLN A 85 -3.315 4.960 11.500 1.00 0.00 C ATOM 1382 C GLN A 85 -2.560 4.165 10.432 1.00 0.00 C ATOM 1383 O GLN A 85 -1.724 3.319 10.752 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.759 4.491 11.584 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.962 3.937 12.990 1.00 0.00 C ATOM 1386 CD GLN A 85 -6.409 4.056 13.462 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -7.196 4.890 13.043 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -6.760 3.239 14.425 1.00 0.00 N ATOM 0 H GLN A 85 -4.159 6.792 10.903 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.797 4.770 12.440 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.445 5.316 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.961 3.726 10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.661 2.890 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.312 4.469 13.684 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.098 2.544 14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.695 3.298 14.828 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.736 4.610 9.190 1.00 0.00 N ATOM 1398 CA ALA A 86 -1.997 4.085 8.036 1.00 0.00 C ATOM 1399 C ALA A 86 -0.498 4.342 8.205 1.00 0.00 C ATOM 1400 O ALA A 86 0.255 3.507 7.747 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.491 4.681 6.716 1.00 0.00 C ATOM 0 H ALA A 86 -3.398 5.348 8.951 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.177 3.011 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.915 4.263 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.546 4.441 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.365 5.763 6.736 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.090 5.302 9.028 1.00 0.00 N ATOM 1408 CA TRP A 87 1.319 5.596 9.337 1.00 0.00 C ATOM 1409 C TRP A 87 1.934 4.463 10.162 1.00 0.00 C ATOM 1410 O TRP A 87 2.877 3.837 9.690 1.00 0.00 O ATOM 1411 CB TRP A 87 1.427 6.933 10.075 1.00 0.00 C ATOM 1412 CG TRP A 87 2.811 7.551 9.895 1.00 0.00 C ATOM 1413 CD1 TRP A 87 3.708 7.813 10.840 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.311 8.062 8.702 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.748 8.462 10.303 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.531 8.619 8.993 1.00 0.00 C ATOM 1417 CE3 TRP A 87 2.805 8.068 7.407 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.289 9.202 7.978 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 3.583 8.611 6.382 1.00 0.00 C ATOM 1420 CH2 TRP A 87 4.806 9.176 6.666 1.00 0.00 C ATOM 0 H TRP A 87 -0.741 5.918 9.515 1.00 0.00 H new ATOM 0 HA TRP A 87 1.877 5.673 8.404 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.667 7.620 9.702 1.00 0.00 H new ATOM 0 HB3 TRP A 87 1.228 6.783 11.136 1.00 0.00 H new ATOM 0 HD1 TRP A 87 3.612 7.544 11.881 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.572 8.784 10.810 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.827 7.660 7.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.237 9.668 8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.224 8.588 5.364 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.397 9.603 5.869 1.00 0.00 H new ATOM 1431 N ASP A 88 1.198 4.000 11.173 1.00 0.00 N ATOM 1432 CA ASP A 88 1.627 2.851 11.993 1.00 0.00 C ATOM 1433 C ASP A 88 1.554 1.555 11.173 1.00 0.00 C ATOM 1434 O ASP A 88 2.545 0.840 11.124 1.00 0.00 O ATOM 1435 CB ASP A 88 0.788 2.715 13.268 1.00 0.00 C ATOM 1436 CG ASP A 88 1.509 1.959 14.396 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.389 1.121 14.095 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.142 2.232 15.559 1.00 0.00 O ATOM 0 H ASP A 88 0.301 4.399 11.449 1.00 0.00 H new ATOM 0 HA ASP A 88 2.659 3.031 12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.516 3.709 13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.141 2.197 13.029 1.00 0.00 H new ATOM 1443 N LEU A 89 0.494 1.373 10.389 1.00 0.00 N ATOM 1444 CA LEU A 89 0.350 0.175 9.533 1.00 0.00 C ATOM 1445 C LEU A 89 1.388 0.118 8.398 1.00 0.00 C ATOM 1446 O LEU A 89 2.161 -0.830 8.321 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.087 0.033 9.014 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.120 -0.211 10.128 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.530 -0.299 9.543 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.829 -1.494 10.912 1.00 0.00 C ATOM 0 H LEU A 89 -0.282 2.032 10.321 1.00 0.00 H new ATOM 0 HA LEU A 89 0.559 -0.689 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.359 0.937 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.128 -0.793 8.304 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.050 0.635 10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.247 -0.472 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.772 0.635 9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.578 -1.123 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.583 -1.625 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.852 -2.348 10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.844 -1.423 11.373 1.00 0.00 H new ATOM 1462 N TYR A 90 1.621 1.273 7.782 1.00 0.00 N ATOM 1463 CA TYR A 90 2.648 1.493 6.748 1.00 0.00 C ATOM 1464 C TYR A 90 4.044 1.275 7.335 1.00 0.00 C ATOM 1465 O TYR A 90 4.907 0.786 6.626 1.00 0.00 O ATOM 1466 CB TYR A 90 2.533 2.938 6.243 1.00 0.00 C ATOM 1467 CG TYR A 90 3.616 3.429 5.282 1.00 0.00 C ATOM 1468 CD1 TYR A 90 4.894 3.667 5.752 1.00 0.00 C ATOM 1469 CD2 TYR A 90 3.296 3.605 3.954 1.00 0.00 C ATOM 1470 CE1 TYR A 90 5.908 4.004 4.862 1.00 0.00 C ATOM 1471 CE2 TYR A 90 4.305 3.966 3.064 1.00 0.00 C ATOM 1472 CZ TYR A 90 5.605 4.091 3.520 1.00 0.00 C ATOM 1473 OH TYR A 90 6.642 4.120 2.640 1.00 0.00 O ATOM 0 H TYR A 90 1.086 2.116 7.990 1.00 0.00 H new ATOM 0 HA TYR A 90 2.496 0.790 5.929 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.568 3.048 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.525 3.599 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.105 3.591 6.809 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.282 3.466 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.911 4.193 5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.074 4.147 2.025 1.00 0.00 H new ATOM 0 HH TYR A 90 6.889 5.050 2.456 1.00 0.00 H new ATOM 1483 N TYR A 91 4.282 1.792 8.536 1.00 0.00 N ATOM 1484 CA TYR A 91 5.586 1.726 9.223 1.00 0.00 C ATOM 1485 C TYR A 91 5.872 0.315 9.755 1.00 0.00 C ATOM 1486 O TYR A 91 6.969 -0.210 9.598 1.00 0.00 O ATOM 1487 CB TYR A 91 5.565 2.734 10.373 1.00 0.00 C ATOM 1488 CG TYR A 91 6.948 2.967 10.983 1.00 0.00 C ATOM 1489 CD1 TYR A 91 7.464 2.044 11.875 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.629 4.133 10.689 1.00 0.00 C ATOM 1491 CE1 TYR A 91 8.698 2.286 12.478 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.861 4.383 11.298 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.386 3.445 12.173 1.00 0.00 C ATOM 1494 OH TYR A 91 10.621 3.641 12.713 1.00 0.00 O ATOM 0 H TYR A 91 3.567 2.279 9.077 1.00 0.00 H new ATOM 0 HA TYR A 91 6.380 1.967 8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.168 3.683 10.011 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.886 2.379 11.148 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.915 1.142 12.103 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.212 4.846 9.993 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.112 1.574 13.177 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.398 5.296 11.090 1.00 0.00 H new ATOM 0 HH TYR A 91 10.980 4.500 12.406 1.00 0.00 H new ATOM 1504 N HIS A 92 4.858 -0.267 10.393 1.00 0.00 N ATOM 1505 CA HIS A 92 4.881 -1.647 10.909 1.00 0.00 C ATOM 1506 C HIS A 92 5.153 -2.629 9.765 1.00 0.00 C ATOM 1507 O HIS A 92 5.973 -3.532 9.908 1.00 0.00 O ATOM 1508 CB HIS A 92 3.530 -1.976 11.556 1.00 0.00 C ATOM 1509 CG HIS A 92 3.526 -3.364 12.195 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.280 -3.734 13.224 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.830 -4.422 11.786 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.056 -5.023 13.450 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.159 -5.450 12.562 1.00 0.00 N ATOM 0 H HIS A 92 3.976 0.212 10.573 1.00 0.00 H new ATOM 0 HA HIS A 92 5.673 -1.736 11.653 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.299 -1.227 12.313 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.744 -1.921 10.803 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.124 -4.442 10.969 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.520 -5.621 14.220 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.790 -6.398 12.490 1.00 0.00 H new ATOM 1521 N VAL A 93 4.506 -2.360 8.633 1.00 0.00 N ATOM 1522 CA VAL A 93 4.676 -3.187 7.438 1.00 0.00 C ATOM 1523 C VAL A 93 5.912 -2.809 6.628 1.00 0.00 C ATOM 1524 O VAL A 93 6.556 -3.730 6.151 1.00 0.00 O ATOM 1525 CB VAL A 93 3.390 -3.268 6.605 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.212 -2.289 5.434 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.193 -4.727 6.218 1.00 0.00 C ATOM 0 H VAL A 93 3.861 -1.579 8.517 1.00 0.00 H new ATOM 0 HA VAL A 93 4.869 -4.203 7.782 1.00 0.00 H new ATOM 0 HB VAL A 93 2.587 -2.904 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.255 -2.474 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.237 -1.266 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.018 -2.432 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.285 -4.826 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.049 -5.067 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.104 -5.334 7.119 1.00 0.00 H new ATOM 1537 N PHE A 94 6.132 -1.526 6.381 1.00 0.00 N ATOM 1538 CA PHE A 94 7.256 -0.925 5.634 1.00 0.00 C ATOM 1539 C PHE A 94 8.030 -1.915 4.744 1.00 0.00 C ATOM 1540 O PHE A 94 7.648 -2.161 3.598 1.00 0.00 O ATOM 1541 CB PHE A 94 8.100 -0.174 6.678 1.00 0.00 C ATOM 1542 CG PHE A 94 9.500 0.220 6.196 1.00 0.00 C ATOM 1543 CD1 PHE A 94 9.642 0.913 5.007 1.00 0.00 C ATOM 1544 CD2 PHE A 94 10.605 -0.282 6.868 1.00 0.00 C ATOM 1545 CE1 PHE A 94 10.919 1.126 4.486 1.00 0.00 C ATOM 1546 CE2 PHE A 94 11.879 -0.068 6.346 1.00 0.00 C ATOM 1547 CZ PHE A 94 12.027 0.639 5.160 1.00 0.00 C ATOM 0 H PHE A 94 5.486 -0.813 6.719 1.00 0.00 H new ATOM 0 HA PHE A 94 6.895 -0.226 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 94 7.566 0.727 6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.197 -0.799 7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.772 1.286 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.479 -0.834 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 94 11.043 1.669 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.748 -0.450 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.015 0.811 4.759 1.00 0.00 H new ATOM 1557 N ARG A 95 9.024 -2.536 5.361 1.00 0.00 N ATOM 1558 CA ARG A 95 9.820 -3.634 4.804 1.00 0.00 C ATOM 1559 C ARG A 95 9.356 -5.026 5.261 1.00 0.00 C ATOM 1560 O ARG A 95 9.529 -5.977 4.528 1.00 0.00 O ATOM 1561 CB ARG A 95 11.274 -3.432 5.199 1.00 0.00 C ATOM 1562 CG ARG A 95 12.121 -3.189 3.958 1.00 0.00 C ATOM 1563 CD ARG A 95 13.172 -4.291 3.850 1.00 0.00 C ATOM 1564 NE ARG A 95 14.477 -3.667 3.577 1.00 0.00 N ATOM 1565 CZ ARG A 95 14.908 -3.178 2.412 1.00 0.00 C ATOM 1566 NH1 ARG A 95 14.176 -3.236 1.308 1.00 0.00 N ATOM 1567 NH2 ARG A 95 16.099 -2.607 2.342 1.00 0.00 N ATOM 0 H ARG A 95 9.315 -2.282 6.305 1.00 0.00 H new ATOM 0 HA ARG A 95 9.691 -3.606 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.360 -2.585 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.640 -4.309 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.491 -3.181 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.603 -2.213 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.213 -4.867 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.911 -4.987 3.053 1.00 0.00 H new ATOM 0 HE ARG A 95 15.122 -3.601 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.251 -3.665 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.538 -2.852 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.683 -2.542 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.433 -2.232 1.454 1.00 0.00 H new ATOM 1581 N ARG A 96 8.772 -5.152 6.457 1.00 0.00 N ATOM 1582 CA ARG A 96 8.125 -6.395 6.945 1.00 0.00 C ATOM 1583 C ARG A 96 7.311 -7.180 5.914 1.00 0.00 C ATOM 1584 O ARG A 96 7.440 -8.397 5.828 1.00 0.00 O ATOM 1585 CB ARG A 96 7.161 -6.068 8.085 1.00 0.00 C ATOM 1586 CG ARG A 96 7.756 -6.429 9.437 1.00 0.00 C ATOM 1587 CD ARG A 96 9.052 -5.661 9.690 1.00 0.00 C ATOM 1588 NE ARG A 96 9.506 -5.977 11.047 1.00 0.00 N ATOM 1589 CZ ARG A 96 8.984 -5.483 12.170 1.00 0.00 C ATOM 1590 NH1 ARG A 96 7.963 -4.632 12.162 1.00 0.00 N ATOM 1591 NH2 ARG A 96 9.478 -5.873 13.332 1.00 0.00 N ATOM 0 H ARG A 96 8.730 -4.387 7.131 1.00 0.00 H new ATOM 0 HA ARG A 96 8.967 -7.019 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.919 -5.005 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.227 -6.611 7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.037 -6.206 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.951 -7.501 9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.810 -5.941 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.887 -4.589 9.583 1.00 0.00 H new ATOM 0 HE ARG A 96 10.285 -6.628 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.553 -4.336 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.590 -4.275 13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.247 -6.542 13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.090 -5.505 14.201 1.00 0.00 H new ATOM 1605 N ILE A 97 6.551 -6.458 5.094 1.00 0.00 N ATOM 1606 CA ILE A 97 5.844 -7.041 3.932 1.00 0.00 C ATOM 1607 C ILE A 97 6.727 -7.904 3.017 1.00 0.00 C ATOM 1608 O ILE A 97 6.231 -8.809 2.345 1.00 0.00 O ATOM 1609 CB ILE A 97 5.124 -6.012 3.053 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.530 -4.546 3.286 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.644 -6.303 3.248 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.053 -3.556 2.220 1.00 0.00 C ATOM 0 H ILE A 97 6.401 -5.455 5.206 1.00 0.00 H new ATOM 0 HA ILE A 97 5.106 -7.679 4.418 1.00 0.00 H new ATOM 0 HB ILE A 97 5.417 -6.122 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.141 -4.228 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.617 -4.493 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.055 -5.607 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.429 -7.324 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.386 -6.186 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.391 -2.552 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.463 -3.839 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.964 -3.570 2.171 1.00 0.00 H new ATOM 1624 N SER A 98 7.986 -7.484 2.906 1.00 0.00 N ATOM 1625 CA SER A 98 9.058 -8.255 2.244 1.00 0.00 C ATOM 1626 C SER A 98 9.448 -9.482 3.073 1.00 0.00 C ATOM 1627 O SER A 98 9.406 -10.590 2.549 1.00 0.00 O ATOM 1628 CB SER A 98 10.322 -7.435 1.912 1.00 0.00 C ATOM 1629 OG SER A 98 11.305 -7.318 2.959 1.00 0.00 O ATOM 0 H SER A 98 8.303 -6.588 3.276 1.00 0.00 H new ATOM 0 HA SER A 98 8.629 -8.565 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.802 -7.884 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.011 -6.431 1.622 1.00 0.00 H new ATOM 0 HG SER A 98 10.917 -6.836 3.719 1.00 0.00 H new ATOM 1635 N LYS A 99 9.815 -9.239 4.339 1.00 0.00 N ATOM 1636 CA LYS A 99 10.320 -10.252 5.290 1.00 0.00 C ATOM 1637 C LYS A 99 11.683 -10.800 4.819 1.00 0.00 C ATOM 1638 O LYS A 99 11.977 -11.994 4.892 1.00 0.00 O ATOM 1639 CB LYS A 99 9.256 -11.346 5.471 1.00 0.00 C ATOM 1640 CG LYS A 99 8.691 -11.441 6.888 1.00 0.00 C ATOM 1641 CD LYS A 99 9.574 -12.360 7.726 1.00 0.00 C ATOM 1642 CE LYS A 99 8.717 -13.159 8.706 1.00 0.00 C ATOM 1643 NZ LYS A 99 9.467 -14.335 9.166 1.00 0.00 N ATOM 0 H LYS A 99 9.769 -8.305 4.747 1.00 0.00 H new ATOM 0 HA LYS A 99 10.497 -9.803 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.437 -11.159 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.690 -12.308 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.646 -10.450 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.671 -11.825 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.126 -13.039 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.311 -11.771 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.440 -12.535 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.790 -13.471 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.884 -14.879 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.709 -14.933 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.339 -14.027 9.641 1.00 0.00 H new ATOM 1657 N GLN A 100 12.545 -9.876 4.388 1.00 0.00 N ATOM 1658 CA GLN A 100 13.912 -10.192 3.907 1.00 0.00 C ATOM 1659 C GLN A 100 14.701 -11.042 4.930 1.00 0.00 C ATOM 1660 O GLN A 100 15.398 -11.972 4.465 1.00 0.00 O ATOM 1661 CB GLN A 100 14.661 -8.881 3.607 1.00 0.00 C ATOM 1662 CG GLN A 100 16.090 -9.082 3.080 1.00 0.00 C ATOM 1663 CD GLN A 100 16.229 -8.878 1.569 1.00 0.00 C ATOM 1664 OE1 GLN A 100 16.654 -7.837 1.093 1.00 0.00 O ATOM 1665 NE2 GLN A 100 15.950 -9.895 0.782 1.00 0.00 N ATOM 1666 OXT GLN A 100 14.612 -10.722 6.137 1.00 99.99 O ATOM 0 H GLN A 100 12.323 -8.881 4.359 1.00 0.00 H new ATOM 0 HA GLN A 100 13.826 -10.785 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.092 -8.309 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.702 -8.282 4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 100 16.757 -8.389 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 100 16.422 -10.089 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.595 -10.765 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.089 -9.814 -0.225 1.00 0.00 H new TER 1675 GLN A 100