USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 31 HIS : no HD1:sc= 0.685 K(o=-5.7,f=-17!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -6.4! C(o=-5.7!,f=-16!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 139:sc= 0.884 (180deg=-1.56!) USER MOD Set 2.2: A 78 TYR OH : rot 23:sc= 0.0606 USER MOD Single : A 6 MET CE :methyl 161:sc= -0.129 (180deg=-0.578) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 121:sc= 0.489 USER MOD Single : A 13 HIS : no HD1:sc= -0.53 K(o=-0.53,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 0.56 (180deg=-0.168) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0085 USER MOD Single : A 21 ASN : amide:sc= -2.53! X(o=-2.5!,f=-2.8) USER MOD Single : A 24 ASN : amide:sc= -1.03 K(o=-1,f=-0.38) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.207 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -7.11! C(o=-7.1!,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc=-0.00279 (180deg=-0.117) USER MOD Single : A 51 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.5) USER MOD Single : A 52 SER OG : rot -11:sc= 1.09 USER MOD Single : A 55 SER OG : rot -105:sc= 0.00413 USER MOD Single : A 57 SER OG : rot 180:sc= -0.155 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 24:sc= 0.808 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.242) USER MOD Single : A 83 ASN : amide:sc=-0.000246 K(o=-0.00025,f=-1.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.461 (180deg=-1.03) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -179:sc= -1.14 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 4.457 -7.394 8.360 1.00 0.00 N ATOM 2 CA MET A 6 5.542 -6.477 8.036 1.00 0.00 C ATOM 3 C MET A 6 5.001 -5.296 7.233 1.00 0.00 C ATOM 4 O MET A 6 5.524 -4.186 7.317 1.00 0.00 O ATOM 5 CB MET A 6 6.662 -7.190 7.271 1.00 0.00 C ATOM 6 CG MET A 6 6.204 -7.851 5.983 1.00 0.00 C ATOM 7 SD MET A 6 7.554 -8.633 5.077 1.00 0.00 S ATOM 8 CE MET A 6 8.105 -9.856 6.268 1.00 0.00 C ATOM 0 HA MET A 6 5.969 -6.104 8.967 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.446 -6.469 7.039 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.106 -7.947 7.918 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.447 -8.600 6.214 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.730 -7.104 5.346 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.684 -10.626 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.727 -9.374 7.023 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.239 -10.312 6.748 1.00 0.00 H new ATOM 17 N ILE A 7 3.948 -5.545 6.454 1.00 0.00 N ATOM 18 CA ILE A 7 3.207 -4.464 5.818 1.00 0.00 C ATOM 19 C ILE A 7 1.972 -4.200 6.658 1.00 0.00 C ATOM 20 O ILE A 7 1.254 -5.136 7.009 1.00 0.00 O ATOM 21 CB ILE A 7 2.709 -4.792 4.374 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.600 -5.810 3.662 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.611 -3.523 3.523 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.944 -6.417 2.425 1.00 0.00 C ATOM 0 H ILE A 7 3.594 -6.480 6.251 1.00 0.00 H new ATOM 0 HA ILE A 7 3.888 -3.616 5.746 1.00 0.00 H new ATOM 0 HB ILE A 7 1.719 -5.233 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.533 -5.327 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.858 -6.608 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.262 -3.781 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.909 -2.829 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.593 -3.054 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.627 -7.131 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.025 -6.927 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.711 -5.626 1.712 1.00 0.00 H new ATOM 36 N GLN A 8 1.730 -2.953 7.000 1.00 0.00 N ATOM 37 CA GLN A 8 0.530 -2.605 7.730 1.00 0.00 C ATOM 38 C GLN A 8 -0.232 -1.522 6.987 1.00 0.00 C ATOM 39 O GLN A 8 0.252 -0.402 6.835 1.00 0.00 O ATOM 40 CB GLN A 8 0.876 -2.152 9.149 1.00 0.00 C ATOM 41 CG GLN A 8 1.442 -3.266 10.029 1.00 0.00 C ATOM 42 CD GLN A 8 1.855 -2.762 11.396 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.057 -2.743 12.336 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.108 -2.354 11.523 1.00 0.00 N ATOM 0 H GLN A 8 2.344 -2.167 6.786 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.105 -3.487 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.601 -1.340 9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.020 -1.748 9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.695 -4.051 10.144 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.303 -3.715 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.738 -2.385 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.443 -2.009 12.422 1.00 0.00 H new ATOM 53 N VAL A 9 -1.406 -1.872 6.489 1.00 0.00 N ATOM 54 CA VAL A 9 -2.239 -0.908 5.794 1.00 0.00 C ATOM 55 C VAL A 9 -3.209 -0.231 6.745 1.00 0.00 C ATOM 56 O VAL A 9 -3.698 -0.834 7.698 1.00 0.00 O ATOM 57 CB VAL A 9 -3.038 -1.545 4.630 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.138 -1.777 3.431 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.678 -2.848 5.075 1.00 0.00 C ATOM 0 H VAL A 9 -1.801 -2.810 6.553 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.556 -0.168 5.378 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.829 -0.855 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.716 -2.225 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.725 -0.825 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.325 -2.448 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.235 -3.282 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.902 -3.544 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.357 -2.655 5.906 1.00 0.00 H new ATOM 69 N TYR A 10 -3.475 1.023 6.443 1.00 0.00 N ATOM 70 CA TYR A 10 -4.331 1.886 7.242 1.00 0.00 C ATOM 71 C TYR A 10 -4.988 2.884 6.303 1.00 0.00 C ATOM 72 O TYR A 10 -4.812 2.807 5.086 1.00 0.00 O ATOM 73 CB TYR A 10 -3.530 2.670 8.300 1.00 0.00 C ATOM 74 CG TYR A 10 -2.955 1.847 9.450 1.00 0.00 C ATOM 75 CD1 TYR A 10 -3.713 0.887 10.116 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.644 2.051 9.879 1.00 0.00 C ATOM 77 CE1 TYR A 10 -3.177 0.150 11.165 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.106 1.322 10.926 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.878 0.376 11.563 1.00 0.00 C ATOM 80 OH TYR A 10 -1.345 -0.358 12.595 1.00 0.00 O ATOM 0 H TYR A 10 -3.095 1.484 5.617 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.062 1.267 7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.708 3.181 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.177 3.441 8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.735 0.712 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.035 2.793 9.384 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.776 -0.596 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.087 1.494 11.241 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.419 -0.078 12.752 1.00 0.00 H new ATOM 90 N SER A 11 -5.743 3.808 6.854 1.00 0.00 N ATOM 91 CA SER A 11 -6.260 4.915 6.065 1.00 0.00 C ATOM 92 C SER A 11 -6.000 6.250 6.757 1.00 0.00 C ATOM 93 O SER A 11 -5.780 6.308 7.969 1.00 0.00 O ATOM 94 CB SER A 11 -7.757 4.736 5.815 1.00 0.00 C ATOM 95 OG SER A 11 -8.017 3.512 5.151 1.00 0.00 O ATOM 0 H SER A 11 -6.014 3.820 7.837 1.00 0.00 H new ATOM 0 HA SER A 11 -5.738 4.919 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.293 4.761 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.131 5.566 5.216 1.00 0.00 H new ATOM 0 HG SER A 11 -8.615 2.963 5.700 1.00 0.00 H new ATOM 101 N ARG A 12 -6.006 7.324 5.967 1.00 0.00 N ATOM 102 CA ARG A 12 -5.851 8.677 6.507 1.00 0.00 C ATOM 103 C ARG A 12 -7.120 9.103 7.248 1.00 0.00 C ATOM 104 O ARG A 12 -7.058 9.865 8.214 1.00 0.00 O ATOM 105 CB ARG A 12 -5.555 9.681 5.378 1.00 0.00 C ATOM 106 CG ARG A 12 -4.639 10.831 5.788 1.00 0.00 C ATOM 107 CD ARG A 12 -5.299 11.772 6.788 1.00 0.00 C ATOM 108 NE ARG A 12 -4.350 12.735 7.345 1.00 0.00 N ATOM 109 CZ ARG A 12 -3.991 12.764 8.629 1.00 0.00 C ATOM 110 NH1 ARG A 12 -4.512 11.892 9.485 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.119 13.665 9.059 1.00 0.00 N ATOM 0 H ARG A 12 -6.116 7.285 4.954 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.013 8.669 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.099 9.148 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.497 10.093 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.725 10.426 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.348 11.394 4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.113 12.307 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.741 11.189 7.597 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.939 13.424 6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.187 11.200 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.237 11.915 10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.720 14.340 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.847 13.683 10.042 1.00 0.00 H new ATOM 125 N HIS A 13 -8.261 8.578 6.818 1.00 0.00 N ATOM 126 CA HIS A 13 -9.557 9.034 7.309 1.00 0.00 C ATOM 127 C HIS A 13 -10.437 7.832 7.651 1.00 0.00 C ATOM 128 O HIS A 13 -10.151 6.718 7.215 1.00 0.00 O ATOM 129 CB HIS A 13 -10.248 9.901 6.247 1.00 0.00 C ATOM 130 CG HIS A 13 -9.491 11.142 5.876 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.785 11.225 4.699 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.372 12.312 6.546 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.255 12.435 4.678 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.584 13.128 5.776 1.00 0.00 N ATOM 0 H HIS A 13 -8.315 7.831 6.126 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.403 9.631 8.208 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.403 9.302 5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.234 10.187 6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.812 12.556 7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.636 12.816 3.879 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.302 14.083 5.998 1.00 0.00 H new ATOM 142 N PRO A 14 -11.510 8.042 8.437 1.00 0.00 N ATOM 143 CA PRO A 14 -12.432 6.961 8.838 1.00 0.00 C ATOM 144 C PRO A 14 -13.218 6.401 7.646 1.00 0.00 C ATOM 145 O PRO A 14 -13.673 7.155 6.784 1.00 0.00 O ATOM 146 CB PRO A 14 -13.388 7.641 9.830 1.00 0.00 C ATOM 147 CG PRO A 14 -12.723 8.933 10.204 1.00 0.00 C ATOM 148 CD PRO A 14 -11.918 9.340 9.003 1.00 0.00 C ATOM 0 HA PRO A 14 -11.896 6.111 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.363 7.818 9.377 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.553 7.016 10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.461 9.694 10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.084 8.806 11.078 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.509 9.923 8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.058 9.951 9.279 1.00 0.00 H new ATOM 156 N ALA A 15 -13.376 5.082 7.607 1.00 0.00 N ATOM 157 CA ALA A 15 -14.073 4.407 6.512 1.00 0.00 C ATOM 158 C ALA A 15 -15.556 4.794 6.450 1.00 0.00 C ATOM 159 O ALA A 15 -16.352 4.316 7.258 1.00 0.00 O ATOM 160 CB ALA A 15 -13.949 2.892 6.673 1.00 0.00 C ATOM 0 H ALA A 15 -13.027 4.451 8.329 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.604 4.725 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.470 2.395 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.896 2.609 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.392 2.589 7.622 1.00 0.00 H new ATOM 166 N GLU A 16 -15.934 5.656 5.507 1.00 0.00 N ATOM 167 CA GLU A 16 -17.339 5.984 5.298 1.00 0.00 C ATOM 168 C GLU A 16 -17.700 5.613 3.863 1.00 0.00 C ATOM 169 O GLU A 16 -17.297 6.308 2.928 1.00 0.00 O ATOM 170 CB GLU A 16 -17.598 7.486 5.547 1.00 0.00 C ATOM 171 CG GLU A 16 -19.024 7.849 5.958 1.00 0.00 C ATOM 172 CD GLU A 16 -20.078 7.430 4.950 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.342 8.210 4.008 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.657 6.335 5.103 1.00 0.00 O ATOM 0 H GLU A 16 -15.289 6.136 4.880 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.958 5.426 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.916 7.830 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.350 8.035 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.246 7.381 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.086 8.927 6.107 1.00 0.00 H new ATOM 181 N ASN A 17 -18.381 4.479 3.699 1.00 0.00 N ATOM 182 CA ASN A 17 -18.884 4.030 2.403 1.00 0.00 C ATOM 183 C ASN A 17 -19.363 5.197 1.525 1.00 0.00 C ATOM 184 O ASN A 17 -20.335 5.879 1.846 1.00 0.00 O ATOM 185 CB ASN A 17 -20.018 3.010 2.635 1.00 0.00 C ATOM 186 CG ASN A 17 -20.878 2.788 1.403 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.552 1.976 0.538 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.003 3.484 1.342 1.00 0.00 N ATOM 0 H ASN A 17 -18.600 3.843 4.466 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.066 3.558 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.586 2.059 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.649 3.356 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.639 3.357 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.233 4.147 2.082 1.00 0.00 H new ATOM 195 N GLY A 18 -18.655 5.425 0.418 1.00 0.00 N ATOM 196 CA GLY A 18 -19.017 6.502 -0.497 1.00 0.00 C ATOM 197 C GLY A 18 -18.011 7.645 -0.525 1.00 0.00 C ATOM 198 O GLY A 18 -18.093 8.517 -1.386 1.00 0.00 O ATOM 0 H GLY A 18 -17.837 4.884 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.118 6.094 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.993 6.896 -0.213 1.00 0.00 H new ATOM 202 N LYS A 19 -17.072 7.667 0.416 1.00 0.00 N ATOM 203 CA LYS A 19 -16.067 8.737 0.445 1.00 0.00 C ATOM 204 C LYS A 19 -14.807 8.318 -0.300 1.00 0.00 C ATOM 205 O LYS A 19 -14.392 7.161 -0.226 1.00 0.00 O ATOM 206 CB LYS A 19 -15.649 9.105 1.875 1.00 0.00 C ATOM 207 CG LYS A 19 -16.771 9.346 2.883 1.00 0.00 C ATOM 208 CD LYS A 19 -17.595 10.605 2.624 1.00 0.00 C ATOM 209 CE LYS A 19 -18.493 10.498 1.402 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.645 9.588 1.639 1.00 0.00 N ATOM 0 H LYS A 19 -16.981 6.973 1.158 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.535 9.598 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.014 8.307 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.036 10.005 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.438 8.484 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.338 9.409 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.209 10.815 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.921 11.452 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.862 11.488 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.911 10.135 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.753 8.946 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.476 9.031 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.513 10.149 1.755 1.00 0.00 H new ATOM 224 N SER A 20 -14.205 9.255 -1.012 1.00 0.00 N ATOM 225 CA SER A 20 -12.897 9.031 -1.596 1.00 0.00 C ATOM 226 C SER A 20 -11.807 9.686 -0.759 1.00 0.00 C ATOM 227 O SER A 20 -11.963 10.813 -0.292 1.00 0.00 O ATOM 228 CB SER A 20 -12.848 9.523 -3.040 1.00 0.00 C ATOM 229 OG SER A 20 -13.536 10.753 -3.186 1.00 0.00 O ATOM 0 H SER A 20 -14.601 10.176 -1.199 1.00 0.00 H new ATOM 0 HA SER A 20 -12.714 7.956 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.810 9.645 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.292 8.775 -3.697 1.00 0.00 H new ATOM 0 HG SER A 20 -13.488 11.046 -4.120 1.00 0.00 H new ATOM 235 N ASN A 21 -10.692 8.981 -0.638 1.00 0.00 N ATOM 236 CA ASN A 21 -9.562 9.367 0.210 1.00 0.00 C ATOM 237 C ASN A 21 -8.343 8.625 -0.311 1.00 0.00 C ATOM 238 O ASN A 21 -8.312 8.237 -1.482 1.00 0.00 O ATOM 239 CB ASN A 21 -9.764 8.994 1.688 1.00 0.00 C ATOM 240 CG ASN A 21 -10.853 9.765 2.415 1.00 0.00 C ATOM 241 OD1 ASN A 21 -11.116 10.934 2.141 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.458 9.103 3.385 1.00 0.00 N ATOM 0 H ASN A 21 -10.539 8.104 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.452 10.451 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.995 7.930 1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.822 9.146 2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.178 9.562 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.206 8.133 3.575 1.00 0.00 H new ATOM 249 N PHE A 22 -7.363 8.386 0.548 1.00 0.00 N ATOM 250 CA PHE A 22 -6.142 7.711 0.133 1.00 0.00 C ATOM 251 C PHE A 22 -5.900 6.441 0.935 1.00 0.00 C ATOM 252 O PHE A 22 -6.051 6.433 2.159 1.00 0.00 O ATOM 253 CB PHE A 22 -4.950 8.661 0.268 1.00 0.00 C ATOM 254 CG PHE A 22 -4.893 9.660 -0.852 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.256 9.271 -2.127 1.00 0.00 C ATOM 256 CD2 PHE A 22 -4.492 10.970 -0.643 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.224 10.160 -3.182 1.00 0.00 C ATOM 258 CE2 PHE A 22 -4.455 11.870 -1.693 1.00 0.00 C ATOM 259 CZ PHE A 22 -4.822 11.465 -2.965 1.00 0.00 C ATOM 0 H PHE A 22 -7.389 8.648 1.533 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.257 7.421 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.013 9.188 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.026 8.083 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.571 8.253 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.206 11.291 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.511 9.838 -4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.140 12.888 -1.520 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.794 12.167 -3.786 1.00 0.00 H new ATOM 269 N LEU A 23 -5.547 5.362 0.236 1.00 0.00 N ATOM 270 CA LEU A 23 -5.190 4.112 0.905 1.00 0.00 C ATOM 271 C LEU A 23 -3.718 4.148 1.275 1.00 0.00 C ATOM 272 O LEU A 23 -2.852 4.313 0.416 1.00 0.00 O ATOM 273 CB LEU A 23 -5.508 2.877 0.038 1.00 0.00 C ATOM 274 CG LEU A 23 -4.934 1.528 0.538 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.329 1.245 1.988 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.403 0.387 -0.357 1.00 0.00 C ATOM 0 H LEU A 23 -5.501 5.328 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.794 4.021 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.591 2.782 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.131 3.058 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.847 1.601 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.907 0.290 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.947 2.038 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.415 1.205 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.991 -0.554 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.492 0.337 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.062 0.561 -1.377 1.00 0.00 H new ATOM 288 N ASN A 24 -3.449 4.005 2.556 1.00 0.00 N ATOM 289 CA ASN A 24 -2.108 4.184 3.084 1.00 0.00 C ATOM 290 C ASN A 24 -1.467 2.842 3.444 1.00 0.00 C ATOM 291 O ASN A 24 -1.852 2.197 4.419 1.00 0.00 O ATOM 292 CB ASN A 24 -2.150 5.122 4.305 1.00 0.00 C ATOM 293 CG ASN A 24 -2.480 6.557 3.937 1.00 0.00 C ATOM 294 OD1 ASN A 24 -3.644 6.953 3.908 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.455 7.348 3.666 1.00 0.00 N ATOM 0 H ASN A 24 -4.147 3.763 3.259 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.489 4.639 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.892 4.754 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.185 5.095 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.616 8.325 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.504 6.981 3.701 1.00 0.00 H new ATOM 302 N CYS A 25 -0.495 2.427 2.637 1.00 0.00 N ATOM 303 CA CYS A 25 0.256 1.191 2.869 1.00 0.00 C ATOM 304 C CYS A 25 1.663 1.533 3.351 1.00 0.00 C ATOM 305 O CYS A 25 2.419 2.191 2.636 1.00 0.00 O ATOM 306 CB CYS A 25 0.345 0.376 1.566 1.00 0.00 C ATOM 307 SG CYS A 25 1.628 -0.916 1.589 1.00 0.00 S ATOM 0 H CYS A 25 -0.203 2.936 1.803 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.258 0.599 3.626 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.622 -0.089 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.542 1.055 0.737 1.00 0.00 H new ATOM 312 N TYR A 26 2.017 1.112 4.561 1.00 0.00 N ATOM 313 CA TYR A 26 3.367 1.345 5.061 1.00 0.00 C ATOM 314 C TYR A 26 4.218 0.121 4.825 1.00 0.00 C ATOM 315 O TYR A 26 3.909 -0.973 5.307 1.00 0.00 O ATOM 316 CB TYR A 26 3.384 1.678 6.558 1.00 0.00 C ATOM 317 CG TYR A 26 2.438 2.785 6.954 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.132 2.500 7.304 1.00 0.00 C ATOM 319 CD2 TYR A 26 2.846 4.110 6.952 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.247 3.506 7.638 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.971 5.124 7.294 1.00 0.00 C ATOM 322 CZ TYR A 26 0.672 4.816 7.630 1.00 0.00 C ATOM 323 OH TYR A 26 -0.208 5.823 7.953 1.00 0.00 O ATOM 0 H TYR A 26 1.400 0.616 5.204 1.00 0.00 H new ATOM 0 HA TYR A 26 3.766 2.202 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.132 0.780 7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.397 1.960 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.798 1.473 7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.862 4.353 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.772 3.267 7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.304 6.151 7.298 1.00 0.00 H new ATOM 0 HH TYR A 26 0.251 6.688 7.900 1.00 0.00 H new ATOM 333 N VAL A 27 5.278 0.311 4.080 1.00 0.00 N ATOM 334 CA VAL A 27 6.254 -0.724 3.846 1.00 0.00 C ATOM 335 C VAL A 27 7.475 -0.370 4.691 1.00 0.00 C ATOM 336 O VAL A 27 7.735 0.813 4.933 1.00 0.00 O ATOM 337 CB VAL A 27 6.584 -0.799 2.321 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.614 -1.870 1.971 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.307 -1.035 1.526 1.00 0.00 C ATOM 0 H VAL A 27 5.490 1.194 3.616 1.00 0.00 H new ATOM 0 HA VAL A 27 5.888 -1.711 4.131 1.00 0.00 H new ATOM 0 HB VAL A 27 7.029 0.160 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.794 -1.864 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.547 -1.663 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.238 -2.848 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.544 -1.086 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.850 -1.973 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.611 -0.215 1.703 1.00 0.00 H new ATOM 349 N SER A 28 8.197 -1.376 5.161 1.00 0.00 N ATOM 350 CA SER A 28 9.344 -1.140 6.020 1.00 0.00 C ATOM 351 C SER A 28 10.482 -0.567 5.178 1.00 0.00 C ATOM 352 O SER A 28 10.272 -0.214 4.018 1.00 0.00 O ATOM 353 CB SER A 28 9.766 -2.435 6.721 1.00 0.00 C ATOM 354 OG SER A 28 10.690 -2.177 7.766 1.00 0.00 O ATOM 0 H SER A 28 8.009 -2.359 4.962 1.00 0.00 H new ATOM 0 HA SER A 28 9.082 -0.422 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.886 -2.935 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.214 -3.114 5.996 1.00 0.00 H new ATOM 0 HG SER A 28 10.941 -3.021 8.197 1.00 0.00 H new ATOM 360 N GLY A 29 11.681 -0.487 5.733 1.00 0.00 N ATOM 361 CA GLY A 29 12.719 0.286 5.086 1.00 0.00 C ATOM 362 C GLY A 29 13.154 -0.343 3.783 1.00 0.00 C ATOM 363 O GLY A 29 12.957 0.229 2.710 1.00 0.00 O ATOM 0 H GLY A 29 11.952 -0.937 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.357 1.297 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.577 0.373 5.753 1.00 0.00 H new ATOM 367 N PHE A 30 13.676 -1.560 3.894 1.00 0.00 N ATOM 368 CA PHE A 30 14.222 -2.284 2.750 1.00 0.00 C ATOM 369 C PHE A 30 15.112 -1.378 1.887 1.00 0.00 C ATOM 370 O PHE A 30 15.610 -0.343 2.341 1.00 0.00 O ATOM 371 CB PHE A 30 13.073 -2.826 1.893 1.00 0.00 C ATOM 372 CG PHE A 30 12.235 -3.895 2.571 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.518 -5.243 2.386 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.159 -3.553 3.385 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.747 -6.224 2.994 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.388 -4.532 3.998 1.00 0.00 C ATOM 377 CZ PHE A 30 10.684 -5.865 3.799 1.00 0.00 C ATOM 0 H PHE A 30 13.733 -2.071 4.775 1.00 0.00 H new ATOM 0 HA PHE A 30 14.832 -3.105 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.424 -1.997 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.486 -3.235 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.350 -5.531 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.920 -2.511 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.978 -7.267 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.558 -4.251 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.084 -6.628 4.273 1.00 0.00 H new ATOM 387 N HIS A 31 15.383 -1.825 0.673 1.00 0.00 N ATOM 388 CA HIS A 31 15.981 -0.962 -0.343 1.00 0.00 C ATOM 389 C HIS A 31 14.906 -0.450 -1.308 1.00 0.00 C ATOM 390 O HIS A 31 14.619 -1.106 -2.302 1.00 0.00 O ATOM 391 CB HIS A 31 17.047 -1.727 -1.130 1.00 0.00 C ATOM 392 CG HIS A 31 17.954 -2.561 -0.280 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.834 -3.930 -0.248 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.961 -2.185 0.544 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.763 -4.354 0.589 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.470 -3.335 1.094 1.00 0.00 N ATOM 0 H HIS A 31 15.200 -2.779 0.362 1.00 0.00 H new ATOM 0 HA HIS A 31 16.445 -0.114 0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.553 -2.372 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.649 -1.014 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.298 -1.176 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.931 -5.392 0.835 1.00 0.00 H new ATOM 0 HE2 HIS A 31 20.240 -3.401 1.760 1.00 0.00 H new ATOM 404 N PRO A 32 14.314 0.737 -1.023 1.00 0.00 N ATOM 405 CA PRO A 32 13.211 1.344 -1.805 1.00 0.00 C ATOM 406 C PRO A 32 13.315 1.186 -3.324 1.00 0.00 C ATOM 407 O PRO A 32 12.301 1.023 -4.010 1.00 0.00 O ATOM 408 CB PRO A 32 13.325 2.819 -1.428 1.00 0.00 C ATOM 409 CG PRO A 32 13.736 2.782 -0.002 1.00 0.00 C ATOM 410 CD PRO A 32 14.670 1.597 0.126 1.00 0.00 C ATOM 0 HA PRO A 32 12.263 0.859 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.061 3.335 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.377 3.341 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.236 3.707 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.871 2.671 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.715 1.906 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.528 1.077 1.073 1.00 0.00 H new ATOM 418 N SER A 33 14.530 1.227 -3.847 1.00 0.00 N ATOM 419 CA SER A 33 14.737 1.184 -5.284 1.00 0.00 C ATOM 420 C SER A 33 14.596 -0.247 -5.834 1.00 0.00 C ATOM 421 O SER A 33 14.249 -0.436 -7.000 1.00 0.00 O ATOM 422 CB SER A 33 16.116 1.774 -5.622 1.00 0.00 C ATOM 423 OG SER A 33 16.342 1.800 -7.022 1.00 0.00 O ATOM 0 H SER A 33 15.387 1.290 -3.297 1.00 0.00 H new ATOM 0 HA SER A 33 13.965 1.785 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.188 2.785 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.894 1.184 -5.138 1.00 0.00 H new ATOM 0 HG SER A 33 17.226 2.182 -7.204 1.00 0.00 H new ATOM 429 N ASP A 34 14.837 -1.253 -4.994 1.00 0.00 N ATOM 430 CA ASP A 34 14.822 -2.649 -5.444 1.00 0.00 C ATOM 431 C ASP A 34 13.636 -3.427 -4.872 1.00 0.00 C ATOM 432 O ASP A 34 13.735 -4.635 -4.647 1.00 0.00 O ATOM 433 CB ASP A 34 16.125 -3.364 -5.050 1.00 0.00 C ATOM 434 CG ASP A 34 17.362 -2.730 -5.659 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.785 -1.652 -5.183 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.927 -3.304 -6.615 1.00 0.00 O ATOM 0 H ASP A 34 15.044 -1.131 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 34 14.727 -2.624 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.220 -3.360 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.068 -4.407 -5.362 1.00 0.00 H new ATOM 441 N ILE A 35 12.517 -2.752 -4.626 1.00 0.00 N ATOM 442 CA ILE A 35 11.324 -3.445 -4.143 1.00 0.00 C ATOM 443 C ILE A 35 10.123 -3.121 -5.022 1.00 0.00 C ATOM 444 O ILE A 35 10.155 -2.175 -5.814 1.00 0.00 O ATOM 445 CB ILE A 35 10.980 -3.100 -2.658 1.00 0.00 C ATOM 446 CG1 ILE A 35 9.962 -1.945 -2.561 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.236 -2.766 -1.862 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.532 -1.635 -1.140 1.00 0.00 C ATOM 0 H ILE A 35 12.410 -1.745 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 35 11.550 -4.510 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 35 10.523 -3.989 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.398 -1.049 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.081 -2.197 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.963 -2.531 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.911 -3.622 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.734 -1.906 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.816 -0.813 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.067 -2.517 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.403 -1.352 -0.550 1.00 0.00 H new ATOM 460 N GLU A 36 9.071 -3.914 -4.877 1.00 0.00 N ATOM 461 CA GLU A 36 7.843 -3.706 -5.623 1.00 0.00 C ATOM 462 C GLU A 36 6.639 -3.769 -4.690 1.00 0.00 C ATOM 463 O GLU A 36 6.354 -4.810 -4.102 1.00 0.00 O ATOM 464 CB GLU A 36 7.706 -4.743 -6.736 1.00 0.00 C ATOM 465 CG GLU A 36 8.692 -4.525 -7.888 1.00 0.00 C ATOM 466 CD GLU A 36 8.561 -5.559 -8.983 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.940 -6.614 -8.749 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.082 -5.315 -10.092 1.00 0.00 O ATOM 0 H GLU A 36 9.046 -4.713 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 36 7.882 -2.716 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.860 -5.738 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.689 -4.715 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.533 -3.533 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.709 -4.545 -7.497 1.00 0.00 H new ATOM 475 N VAL A 37 5.967 -2.640 -4.539 1.00 0.00 N ATOM 476 CA VAL A 37 4.776 -2.546 -3.702 1.00 0.00 C ATOM 477 C VAL A 37 3.618 -1.962 -4.507 1.00 0.00 C ATOM 478 O VAL A 37 3.776 -0.945 -5.186 1.00 0.00 O ATOM 479 CB VAL A 37 5.041 -1.703 -2.412 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.303 -0.877 -2.559 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.864 -0.796 -2.073 1.00 0.00 C ATOM 0 H VAL A 37 6.228 -1.763 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 37 4.509 -3.552 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 37 5.169 -2.408 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.467 -0.299 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.153 -1.538 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.198 -0.199 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.090 -0.229 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.685 -0.108 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.974 -1.402 -1.907 1.00 0.00 H new ATOM 491 N ASP A 38 2.461 -2.614 -4.433 1.00 0.00 N ATOM 492 CA ASP A 38 1.285 -2.182 -5.180 1.00 0.00 C ATOM 493 C ASP A 38 0.071 -2.154 -4.254 1.00 0.00 C ATOM 494 O ASP A 38 0.035 -2.849 -3.235 1.00 0.00 O ATOM 495 CB ASP A 38 0.977 -3.125 -6.372 1.00 0.00 C ATOM 496 CG ASP A 38 2.087 -3.207 -7.397 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.821 -4.220 -7.397 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.200 -2.285 -8.230 1.00 0.00 O ATOM 0 H ASP A 38 2.313 -3.446 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 38 1.495 -1.187 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.777 -4.125 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.066 -2.785 -6.865 1.00 0.00 H new ATOM 503 N LEU A 39 -0.925 -1.367 -4.626 1.00 0.00 N ATOM 504 CA LEU A 39 -2.175 -1.307 -3.879 1.00 0.00 C ATOM 505 C LEU A 39 -3.236 -2.117 -4.620 1.00 0.00 C ATOM 506 O LEU A 39 -3.440 -1.930 -5.821 1.00 0.00 O ATOM 507 CB LEU A 39 -2.627 0.146 -3.660 1.00 0.00 C ATOM 508 CG LEU A 39 -2.065 0.837 -2.400 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.560 1.024 -2.488 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.740 2.177 -2.173 1.00 0.00 C ATOM 0 H LEU A 39 -0.894 -0.758 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.023 -1.739 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.340 0.732 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.716 0.165 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.277 0.185 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.201 1.514 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.078 0.052 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.320 1.641 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.328 2.645 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.566 2.822 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.812 2.027 -2.042 1.00 0.00 H new ATOM 522 N LEU A 40 -3.879 -3.037 -3.909 1.00 0.00 N ATOM 523 CA LEU A 40 -4.761 -4.020 -4.528 1.00 0.00 C ATOM 524 C LEU A 40 -6.182 -3.988 -3.973 1.00 0.00 C ATOM 525 O LEU A 40 -6.474 -3.336 -2.971 1.00 0.00 O ATOM 526 CB LEU A 40 -4.228 -5.443 -4.317 1.00 0.00 C ATOM 527 CG LEU A 40 -2.802 -5.740 -4.784 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.629 -7.243 -4.905 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.469 -5.068 -6.110 1.00 0.00 C ATOM 0 H LEU A 40 -3.805 -3.122 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.785 -3.754 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.287 -5.670 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.900 -6.133 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.114 -5.332 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.615 -7.467 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.804 -7.709 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.343 -7.634 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.445 -5.312 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.154 -5.423 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.569 -3.988 -6.006 1.00 0.00 H new ATOM 541 N LYS A 41 -7.046 -4.727 -4.664 1.00 0.00 N ATOM 542 CA LYS A 41 -8.399 -5.042 -4.223 1.00 0.00 C ATOM 543 C LYS A 41 -8.595 -6.533 -4.321 1.00 0.00 C ATOM 544 O LYS A 41 -8.764 -7.039 -5.433 1.00 0.00 O ATOM 545 CB LYS A 41 -9.474 -4.433 -5.132 1.00 0.00 C ATOM 546 CG LYS A 41 -9.035 -3.163 -5.849 1.00 0.00 C ATOM 547 CD LYS A 41 -10.101 -2.584 -6.810 1.00 0.00 C ATOM 548 CE LYS A 41 -11.411 -2.187 -6.098 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.169 -1.235 -4.985 1.00 0.00 N ATOM 0 H LYS A 41 -6.817 -5.134 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.501 -4.646 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.768 -5.174 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.358 -4.213 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.782 -2.407 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.126 -3.372 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.690 -1.709 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.324 -3.321 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.094 -1.737 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.899 -3.081 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.909 -0.504 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.189 -1.747 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.239 -0.786 -5.108 1.00 0.00 H new ATOM 563 N ASN A 42 -8.634 -7.230 -3.194 1.00 0.00 N ATOM 564 CA ASN A 42 -8.821 -8.682 -3.202 1.00 0.00 C ATOM 565 C ASN A 42 -7.921 -9.319 -4.265 1.00 0.00 C ATOM 566 O ASN A 42 -8.360 -10.174 -5.039 1.00 0.00 O ATOM 567 CB ASN A 42 -10.300 -9.032 -3.502 1.00 0.00 C ATOM 568 CG ASN A 42 -11.318 -8.025 -2.999 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.999 -8.255 -2.007 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.437 -6.908 -3.715 1.00 0.00 N ATOM 0 H ASN A 42 -8.540 -6.820 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.554 -9.072 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.420 -9.138 -4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.524 -10.003 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.118 -6.199 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.847 -6.762 -4.534 1.00 0.00 H new ATOM 577 N GLY A 43 -6.668 -8.885 -4.302 1.00 0.00 N ATOM 578 CA GLY A 43 -5.741 -9.389 -5.296 1.00 0.00 C ATOM 579 C GLY A 43 -5.867 -8.769 -6.690 1.00 0.00 C ATOM 580 O GLY A 43 -5.490 -9.415 -7.665 1.00 0.00 O ATOM 0 H GLY A 43 -6.277 -8.194 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.725 -9.226 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.879 -10.467 -5.383 1.00 0.00 H new ATOM 584 N GLU A 44 -6.371 -7.534 -6.818 1.00 0.00 N ATOM 585 CA GLU A 44 -6.435 -6.888 -8.140 1.00 0.00 C ATOM 586 C GLU A 44 -5.655 -5.588 -8.135 1.00 0.00 C ATOM 587 O GLU A 44 -5.843 -4.750 -7.255 1.00 0.00 O ATOM 588 CB GLU A 44 -7.871 -6.606 -8.619 1.00 0.00 C ATOM 589 CG GLU A 44 -8.207 -7.359 -9.875 1.00 0.00 C ATOM 590 CD GLU A 44 -7.873 -8.833 -9.805 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.880 -9.250 -10.438 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.603 -9.581 -9.128 1.00 0.00 O ATOM 0 H GLU A 44 -6.732 -6.973 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.992 -7.599 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.575 -6.880 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.990 -5.537 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.271 -7.246 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.669 -6.912 -10.711 1.00 0.00 H new ATOM 599 N ARG A 45 -4.766 -5.437 -9.111 1.00 0.00 N ATOM 600 CA ARG A 45 -3.970 -4.231 -9.237 1.00 0.00 C ATOM 601 C ARG A 45 -4.879 -3.034 -9.551 1.00 0.00 C ATOM 602 O ARG A 45 -5.461 -2.946 -10.631 1.00 0.00 O ATOM 603 CB ARG A 45 -2.879 -4.417 -10.326 1.00 0.00 C ATOM 604 CG ARG A 45 -1.561 -3.726 -10.013 1.00 0.00 C ATOM 605 CD ARG A 45 -0.592 -3.763 -11.200 1.00 0.00 C ATOM 606 NE ARG A 45 -1.090 -2.985 -12.337 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.371 -2.070 -12.989 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.897 -1.848 -12.656 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.922 -1.383 -13.984 1.00 0.00 N ATOM 0 H ARG A 45 -4.581 -6.140 -9.827 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.464 -4.033 -8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.694 -5.483 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.259 -4.037 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.753 -2.690 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.096 -4.206 -9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.377 -3.372 -10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.435 -4.797 -11.508 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.046 -3.153 -12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.326 -2.379 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.441 -1.147 -13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.892 -1.556 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.375 -0.683 -14.484 1.00 0.00 H new ATOM 623 N ILE A 46 -5.013 -2.133 -8.560 1.00 0.00 N ATOM 624 CA ILE A 46 -5.886 -0.958 -8.652 1.00 0.00 C ATOM 625 C ILE A 46 -5.508 -0.070 -9.840 1.00 0.00 C ATOM 626 O ILE A 46 -6.340 0.167 -10.710 1.00 0.00 O ATOM 627 CB ILE A 46 -5.833 -0.132 -7.341 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.297 -0.989 -6.154 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.686 1.130 -7.459 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.202 -0.304 -4.809 1.00 0.00 C ATOM 0 H ILE A 46 -4.516 -2.204 -7.672 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.903 -1.320 -8.805 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.801 0.173 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.331 -1.290 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.701 -1.901 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.633 1.693 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.313 1.746 -8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.721 0.852 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.550 -0.982 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.166 -0.028 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.822 0.593 -4.813 1.00 0.00 H new ATOM 642 N GLU A 47 -4.301 0.518 -9.765 1.00 0.00 N ATOM 643 CA GLU A 47 -3.558 1.094 -10.919 1.00 0.00 C ATOM 644 C GLU A 47 -3.312 2.585 -10.736 1.00 0.00 C ATOM 645 O GLU A 47 -2.329 3.116 -11.252 1.00 0.00 O ATOM 646 CB GLU A 47 -4.214 0.880 -12.299 1.00 0.00 C ATOM 647 CG GLU A 47 -4.349 -0.581 -12.712 1.00 0.00 C ATOM 648 CD GLU A 47 -4.462 -0.769 -14.209 1.00 0.00 C ATOM 649 OE1 GLU A 47 -5.529 -0.461 -14.777 1.00 0.00 O ATOM 650 OE2 GLU A 47 -3.483 -1.244 -14.821 1.00 0.00 O ATOM 0 H GLU A 47 -3.796 0.612 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.621 0.537 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.204 1.336 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.627 1.405 -13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.485 -1.136 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.229 -1.008 -12.231 1.00 0.00 H new ATOM 657 N LYS A 48 -4.175 3.273 -9.992 1.00 0.00 N ATOM 658 CA LYS A 48 -4.032 4.714 -9.822 1.00 0.00 C ATOM 659 C LYS A 48 -3.081 5.003 -8.667 1.00 0.00 C ATOM 660 O LYS A 48 -3.426 5.727 -7.735 1.00 0.00 O ATOM 661 CB LYS A 48 -5.386 5.379 -9.524 1.00 0.00 C ATOM 662 CG LYS A 48 -6.558 4.924 -10.401 1.00 0.00 C ATOM 663 CD LYS A 48 -6.238 5.030 -11.884 1.00 0.00 C ATOM 664 CE LYS A 48 -5.993 6.472 -12.308 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.213 7.313 -12.165 1.00 0.00 N ATOM 0 H LYS A 48 -4.970 2.861 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.637 5.122 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.641 5.189 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.272 6.458 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.812 3.892 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.435 5.530 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.356 4.430 -12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.062 4.616 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.189 6.895 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.659 6.493 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.060 8.229 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.022 6.829 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.411 7.469 -11.156 1.00 0.00 H new ATOM 679 N VAL A 49 -1.886 4.447 -8.731 1.00 0.00 N ATOM 680 CA VAL A 49 -0.937 4.577 -7.649 1.00 0.00 C ATOM 681 C VAL A 49 0.385 5.092 -8.210 1.00 0.00 C ATOM 682 O VAL A 49 0.833 4.660 -9.275 1.00 0.00 O ATOM 683 CB VAL A 49 -0.744 3.231 -6.889 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.589 2.585 -7.203 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.889 3.428 -5.392 1.00 0.00 C ATOM 0 H VAL A 49 -1.552 3.900 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.323 5.291 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.528 2.558 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.679 1.650 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.652 2.383 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.396 3.257 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.750 2.474 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.138 4.137 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.884 3.815 -5.171 1.00 0.00 H new ATOM 695 N GLU A 50 0.973 6.049 -7.519 1.00 0.00 N ATOM 696 CA GLU A 50 2.229 6.647 -7.968 1.00 0.00 C ATOM 697 C GLU A 50 3.113 7.016 -6.782 1.00 0.00 C ATOM 698 O GLU A 50 2.754 7.888 -5.992 1.00 0.00 O ATOM 699 CB GLU A 50 1.959 7.919 -8.799 1.00 0.00 C ATOM 700 CG GLU A 50 1.207 7.713 -10.117 1.00 0.00 C ATOM 701 CD GLU A 50 0.778 9.030 -10.728 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.410 9.398 -10.590 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.632 9.712 -11.333 1.00 0.00 O ATOM 0 H GLU A 50 0.608 6.432 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 50 2.741 5.907 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.390 8.617 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.915 8.395 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.844 7.176 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.330 7.090 -9.942 1.00 0.00 H new ATOM 710 N HIS A 51 4.247 6.335 -6.633 1.00 0.00 N ATOM 711 CA HIS A 51 5.267 6.767 -5.692 1.00 0.00 C ATOM 712 C HIS A 51 6.622 6.190 -6.077 1.00 0.00 C ATOM 713 O HIS A 51 6.722 5.023 -6.458 1.00 0.00 O ATOM 714 CB HIS A 51 4.919 6.325 -4.272 1.00 0.00 C ATOM 715 CG HIS A 51 5.867 6.849 -3.233 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.715 6.008 -2.560 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.064 8.120 -2.795 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.405 6.771 -1.732 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.044 8.059 -1.837 1.00 0.00 N ATOM 0 H HIS A 51 4.478 5.487 -7.151 1.00 0.00 H new ATOM 0 HA HIS A 51 5.312 7.856 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.909 6.659 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.912 5.236 -4.230 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.796 4.998 -2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.549 9.006 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.164 6.405 -1.056 1.00 0.00 H new ATOM 727 N SER A 52 7.651 7.020 -6.000 1.00 0.00 N ATOM 728 CA SER A 52 9.033 6.564 -6.190 1.00 0.00 C ATOM 729 C SER A 52 10.025 7.531 -5.539 1.00 0.00 C ATOM 730 O SER A 52 10.111 8.697 -5.938 1.00 0.00 O ATOM 731 CB SER A 52 9.363 6.415 -7.681 1.00 0.00 C ATOM 732 OG SER A 52 8.543 5.432 -8.297 1.00 0.00 O ATOM 0 H SER A 52 7.562 8.018 -5.807 1.00 0.00 H new ATOM 0 HA SER A 52 9.123 5.590 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.225 7.373 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.412 6.142 -7.798 1.00 0.00 H new ATOM 0 HG SER A 52 8.058 4.932 -7.608 1.00 0.00 H new ATOM 738 N ASP A 53 10.773 7.054 -4.542 1.00 0.00 N ATOM 739 CA ASP A 53 11.771 7.873 -3.876 1.00 0.00 C ATOM 740 C ASP A 53 12.975 7.009 -3.523 1.00 0.00 C ATOM 741 O ASP A 53 12.870 5.781 -3.524 1.00 0.00 O ATOM 742 CB ASP A 53 11.192 8.579 -2.636 1.00 0.00 C ATOM 743 CG ASP A 53 10.930 7.662 -1.454 1.00 0.00 C ATOM 744 OD1 ASP A 53 10.482 6.522 -1.657 1.00 0.00 O ATOM 745 OD2 ASP A 53 11.143 8.115 -0.305 1.00 0.00 O ATOM 0 H ASP A 53 10.701 6.102 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 53 12.091 8.663 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.882 9.364 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.258 9.068 -2.915 1.00 0.00 H new ATOM 750 N LEU A 54 14.105 7.651 -3.227 1.00 0.00 N ATOM 751 CA LEU A 54 15.386 6.952 -3.005 1.00 0.00 C ATOM 752 C LEU A 54 15.893 6.232 -4.259 1.00 0.00 C ATOM 753 O LEU A 54 15.178 5.476 -4.912 1.00 0.00 O ATOM 754 CB LEU A 54 15.316 5.957 -1.824 1.00 0.00 C ATOM 755 CG LEU A 54 15.367 6.614 -0.413 1.00 0.00 C ATOM 756 CD1 LEU A 54 14.142 7.473 -0.140 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.544 5.585 0.710 1.00 0.00 C ATOM 0 H LEU A 54 14.166 8.665 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 54 16.100 7.737 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.395 5.380 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 54 16.143 5.252 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 54 16.247 7.257 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.220 7.912 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.082 8.268 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.245 6.856 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.573 6.097 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.709 4.885 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.476 5.040 0.561 1.00 0.00 H new ATOM 769 N SER A 55 17.152 6.480 -4.583 1.00 0.00 N ATOM 770 CA SER A 55 17.798 5.822 -5.705 1.00 0.00 C ATOM 771 C SER A 55 18.838 4.831 -5.195 1.00 0.00 C ATOM 772 O SER A 55 19.034 3.761 -5.774 1.00 0.00 O ATOM 773 CB SER A 55 18.445 6.850 -6.640 1.00 0.00 C ATOM 774 OG SER A 55 18.978 6.226 -7.797 1.00 0.00 O ATOM 0 H SER A 55 17.749 7.137 -4.081 1.00 0.00 H new ATOM 0 HA SER A 55 17.043 5.280 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.705 7.595 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.238 7.379 -6.111 1.00 0.00 H new ATOM 0 HG SER A 55 19.955 6.191 -7.729 1.00 0.00 H new ATOM 780 N PHE A 56 19.510 5.197 -4.108 1.00 0.00 N ATOM 781 CA PHE A 56 20.512 4.331 -3.496 1.00 0.00 C ATOM 782 C PHE A 56 20.295 4.250 -1.990 1.00 0.00 C ATOM 783 O PHE A 56 21.100 3.656 -1.275 1.00 0.00 O ATOM 784 CB PHE A 56 21.928 4.850 -3.779 1.00 0.00 C ATOM 785 CG PHE A 56 22.269 4.939 -5.241 1.00 0.00 C ATOM 786 CD1 PHE A 56 22.309 6.167 -5.882 1.00 0.00 C ATOM 787 CD2 PHE A 56 22.550 3.797 -5.972 1.00 0.00 C ATOM 788 CE1 PHE A 56 22.624 6.254 -7.224 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.864 3.879 -7.316 1.00 0.00 C ATOM 790 CZ PHE A 56 22.902 5.107 -7.942 1.00 0.00 C ATOM 0 H PHE A 56 19.378 6.089 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 56 20.406 3.337 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 56 22.038 5.837 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.648 4.195 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 56 22.091 7.067 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 56 22.524 2.832 -5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 56 22.653 7.217 -7.711 1.00 0.00 H new ATOM 0 HE2 PHE A 56 23.080 2.981 -7.876 1.00 0.00 H new ATOM 0 HZ PHE A 56 23.149 5.172 -8.991 1.00 0.00 H new ATOM 800 N SER A 57 19.184 4.832 -1.533 1.00 0.00 N ATOM 801 CA SER A 57 18.875 4.953 -0.102 1.00 0.00 C ATOM 802 C SER A 57 19.842 5.916 0.608 1.00 0.00 C ATOM 803 O SER A 57 20.998 6.067 0.209 1.00 0.00 O ATOM 804 CB SER A 57 18.896 3.578 0.580 1.00 0.00 C ATOM 805 OG SER A 57 18.026 2.670 -0.080 1.00 0.00 O ATOM 0 H SER A 57 18.472 5.233 -2.143 1.00 0.00 H new ATOM 0 HA SER A 57 17.870 5.368 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.911 3.182 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.597 3.681 1.623 1.00 0.00 H new ATOM 0 HG SER A 57 18.057 1.801 0.371 1.00 0.00 H new ATOM 811 N LYS A 58 19.348 6.583 1.652 1.00 0.00 N ATOM 812 CA LYS A 58 20.166 7.493 2.448 1.00 0.00 C ATOM 813 C LYS A 58 19.437 7.881 3.731 1.00 0.00 C ATOM 814 O LYS A 58 18.426 8.583 3.685 1.00 0.00 O ATOM 815 CB LYS A 58 20.508 8.756 1.656 1.00 0.00 C ATOM 816 CG LYS A 58 21.353 9.741 2.441 1.00 0.00 C ATOM 817 CD LYS A 58 21.539 11.038 1.683 1.00 0.00 C ATOM 818 CE LYS A 58 22.276 12.068 2.520 1.00 0.00 C ATOM 819 NZ LYS A 58 22.372 13.374 1.823 1.00 0.00 N ATOM 0 H LYS A 58 18.380 6.508 1.965 1.00 0.00 H new ATOM 0 HA LYS A 58 21.091 6.974 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.039 8.475 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.584 9.245 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.879 9.944 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.327 9.299 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.095 10.848 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.566 11.433 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.761 12.200 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.277 11.703 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.881 14.052 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.886 13.252 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.416 13.734 1.628 1.00 0.00 H new ATOM 833 N ASP A 59 19.979 7.435 4.865 1.00 0.00 N ATOM 834 CA ASP A 59 19.362 7.655 6.183 1.00 0.00 C ATOM 835 C ASP A 59 17.914 7.159 6.176 1.00 0.00 C ATOM 836 O ASP A 59 17.523 6.395 5.291 1.00 0.00 O ATOM 837 CB ASP A 59 19.408 9.145 6.555 1.00 0.00 C ATOM 838 CG ASP A 59 19.501 9.376 8.053 1.00 0.00 C ATOM 839 OD1 ASP A 59 18.499 9.161 8.766 1.00 0.00 O ATOM 840 OD2 ASP A 59 20.588 9.772 8.529 1.00 0.00 O ATOM 0 H ASP A 59 20.854 6.913 4.901 1.00 0.00 H new ATOM 0 HA ASP A 59 19.925 7.093 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.264 9.610 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.515 9.638 6.171 1.00 0.00 H new ATOM 845 N TRP A 60 17.121 7.573 7.156 1.00 0.00 N ATOM 846 CA TRP A 60 15.704 7.259 7.150 1.00 0.00 C ATOM 847 C TRP A 60 14.917 8.207 8.037 1.00 0.00 C ATOM 848 O TRP A 60 14.885 8.063 9.260 1.00 0.00 O ATOM 849 CB TRP A 60 15.435 5.815 7.569 1.00 0.00 C ATOM 850 CG TRP A 60 14.448 5.170 6.654 1.00 0.00 C ATOM 851 CD1 TRP A 60 13.079 5.277 6.697 1.00 0.00 C ATOM 852 CD2 TRP A 60 14.757 4.342 5.523 1.00 0.00 C ATOM 853 NE1 TRP A 60 12.529 4.581 5.649 1.00 0.00 N ATOM 854 CE2 TRP A 60 13.533 3.997 4.924 1.00 0.00 C ATOM 855 CE3 TRP A 60 15.952 3.858 4.951 1.00 0.00 C ATOM 856 CZ2 TRP A 60 13.462 3.204 3.788 1.00 0.00 C ATOM 857 CZ3 TRP A 60 15.871 3.066 3.825 1.00 0.00 C ATOM 858 CH2 TRP A 60 14.638 2.749 3.254 1.00 0.00 C ATOM 0 H TRP A 60 17.434 8.122 7.957 1.00 0.00 H new ATOM 0 HA TRP A 60 15.368 7.384 6.121 1.00 0.00 H new ATOM 0 HB2 TRP A 60 16.367 5.250 7.561 1.00 0.00 H new ATOM 0 HB3 TRP A 60 15.058 5.793 8.591 1.00 0.00 H new ATOM 0 HD1 TRP A 60 12.521 5.825 7.442 1.00 0.00 H new ATOM 0 HE1 TRP A 60 11.532 4.510 5.444 1.00 0.00 H new ATOM 0 HE3 TRP A 60 16.910 4.102 5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 12.512 2.954 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 16.777 2.685 3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 60 14.610 2.130 2.370 1.00 0.00 H new ATOM 869 N SER A 61 14.285 9.177 7.401 1.00 0.00 N ATOM 870 CA SER A 61 13.400 10.104 8.084 1.00 0.00 C ATOM 871 C SER A 61 12.153 10.347 7.239 1.00 0.00 C ATOM 872 O SER A 61 11.418 11.309 7.455 1.00 0.00 O ATOM 873 CB SER A 61 14.136 11.420 8.350 1.00 0.00 C ATOM 874 OG SER A 61 14.729 11.919 7.161 1.00 0.00 O ATOM 0 H SER A 61 14.370 9.344 6.398 1.00 0.00 H new ATOM 0 HA SER A 61 13.094 9.677 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.439 12.156 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.905 11.265 9.107 1.00 0.00 H new ATOM 0 HG SER A 61 15.192 12.761 7.355 1.00 0.00 H new ATOM 880 N PHE A 62 11.915 9.447 6.286 1.00 0.00 N ATOM 881 CA PHE A 62 10.866 9.636 5.287 1.00 0.00 C ATOM 882 C PHE A 62 9.931 8.431 5.187 1.00 0.00 C ATOM 883 O PHE A 62 8.742 8.612 4.934 1.00 0.00 O ATOM 884 CB PHE A 62 11.486 9.937 3.913 1.00 0.00 C ATOM 885 CG PHE A 62 12.873 9.379 3.709 1.00 0.00 C ATOM 886 CD1 PHE A 62 13.111 8.013 3.738 1.00 0.00 C ATOM 887 CD2 PHE A 62 13.940 10.233 3.483 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.387 7.514 3.551 1.00 0.00 C ATOM 889 CE2 PHE A 62 15.216 9.738 3.292 1.00 0.00 C ATOM 890 CZ PHE A 62 15.437 8.378 3.329 1.00 0.00 C ATOM 0 H PHE A 62 12.437 8.577 6.185 1.00 0.00 H new ATOM 0 HA PHE A 62 10.266 10.486 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.831 9.537 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.520 11.018 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.291 7.331 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.772 11.300 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.560 6.448 3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.038 10.415 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.434 7.989 3.184 1.00 0.00 H new ATOM 900 N TYR A 63 10.471 7.217 5.397 1.00 0.00 N ATOM 901 CA TYR A 63 9.711 5.944 5.317 1.00 0.00 C ATOM 902 C TYR A 63 8.927 5.782 3.994 1.00 0.00 C ATOM 903 O TYR A 63 8.780 6.722 3.213 1.00 0.00 O ATOM 904 CB TYR A 63 8.840 5.712 6.593 1.00 0.00 C ATOM 905 CG TYR A 63 7.927 6.866 7.018 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.662 7.008 6.470 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.333 7.808 7.969 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.820 8.048 6.841 1.00 0.00 C ATOM 909 CE2 TYR A 63 7.494 8.853 8.348 1.00 0.00 C ATOM 910 CZ TYR A 63 6.242 8.963 7.779 1.00 0.00 C ATOM 911 OH TYR A 63 5.408 9.997 8.150 1.00 0.00 O ATOM 0 H TYR A 63 11.455 7.084 5.629 1.00 0.00 H new ATOM 0 HA TYR A 63 10.447 5.140 5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.221 4.831 6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.507 5.481 7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.323 6.292 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 63 9.312 7.724 8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.840 8.138 6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.822 9.573 9.083 1.00 0.00 H new ATOM 0 HH TYR A 63 5.855 10.553 8.822 1.00 0.00 H new ATOM 921 N LEU A 64 8.459 4.563 3.726 1.00 0.00 N ATOM 922 CA LEU A 64 7.878 4.236 2.416 1.00 0.00 C ATOM 923 C LEU A 64 6.352 4.168 2.497 1.00 0.00 C ATOM 924 O LEU A 64 5.794 3.414 3.299 1.00 0.00 O ATOM 925 CB LEU A 64 8.387 2.853 1.953 1.00 0.00 C ATOM 926 CG LEU A 64 9.746 2.778 1.227 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.180 1.318 1.093 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.650 3.433 -0.144 1.00 0.00 C ATOM 0 H LEU A 64 8.469 3.789 4.390 1.00 0.00 H new ATOM 0 HA LEU A 64 8.175 5.016 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.443 2.209 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.633 2.426 1.292 1.00 0.00 H new ATOM 0 HG LEU A 64 10.492 3.316 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.140 1.270 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.276 0.874 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.434 0.768 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.616 3.373 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.899 2.917 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.366 4.479 -0.028 1.00 0.00 H new ATOM 940 N LEU A 65 5.691 4.960 1.655 1.00 0.00 N ATOM 941 CA LEU A 65 4.235 4.919 1.509 1.00 0.00 C ATOM 942 C LEU A 65 3.820 5.282 0.085 1.00 0.00 C ATOM 943 O LEU A 65 4.407 6.164 -0.536 1.00 0.00 O ATOM 944 CB LEU A 65 3.593 5.902 2.484 1.00 0.00 C ATOM 945 CG LEU A 65 2.164 6.346 2.170 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.179 5.235 2.480 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.818 7.603 2.952 1.00 0.00 C ATOM 0 H LEU A 65 6.147 5.647 1.055 1.00 0.00 H new ATOM 0 HA LEU A 65 3.898 3.905 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.599 5.450 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.222 6.791 2.535 1.00 0.00 H new ATOM 0 HG LEU A 65 2.098 6.572 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.168 5.571 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.417 4.359 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.244 4.976 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.798 7.908 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.901 7.402 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.507 8.402 2.679 1.00 0.00 H new ATOM 959 N TYR A 66 2.782 4.620 -0.402 1.00 0.00 N ATOM 960 CA TYR A 66 2.251 4.854 -1.744 1.00 0.00 C ATOM 961 C TYR A 66 0.795 5.299 -1.622 1.00 0.00 C ATOM 962 O TYR A 66 0.159 5.022 -0.605 1.00 0.00 O ATOM 963 CB TYR A 66 2.349 3.568 -2.589 1.00 0.00 C ATOM 964 CG TYR A 66 3.774 3.206 -3.009 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.105 3.051 -4.354 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.787 3.029 -2.073 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.391 2.731 -4.750 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.078 2.710 -2.467 1.00 0.00 C ATOM 969 CZ TYR A 66 6.371 2.562 -3.802 1.00 0.00 C ATOM 970 OH TYR A 66 7.656 2.244 -4.190 1.00 0.00 O ATOM 0 H TYR A 66 2.280 3.902 0.121 1.00 0.00 H new ATOM 0 HA TYR A 66 2.833 5.630 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.927 2.739 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.737 3.686 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.340 3.184 -5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.565 3.142 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.623 2.615 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.852 2.578 -1.726 1.00 0.00 H new ATOM 0 HH TYR A 66 8.226 2.161 -3.397 1.00 0.00 H new ATOM 980 N TYR A 67 0.252 5.968 -2.638 1.00 0.00 N ATOM 981 CA TYR A 67 -1.104 6.518 -2.514 1.00 0.00 C ATOM 982 C TYR A 67 -1.963 6.273 -3.759 1.00 0.00 C ATOM 983 O TYR A 67 -1.507 6.459 -4.888 1.00 0.00 O ATOM 984 CB TYR A 67 -1.082 8.020 -2.154 1.00 0.00 C ATOM 985 CG TYR A 67 -0.120 8.881 -2.962 1.00 0.00 C ATOM 986 CD1 TYR A 67 1.131 9.218 -2.454 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.466 9.375 -4.218 1.00 0.00 C ATOM 988 CE1 TYR A 67 2.007 10.010 -3.173 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.407 10.166 -4.942 1.00 0.00 C ATOM 990 CZ TYR A 67 1.640 10.480 -4.414 1.00 0.00 C ATOM 991 OH TYR A 67 2.515 11.264 -5.130 1.00 0.00 O ATOM 0 H TYR A 67 0.711 6.141 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.571 5.976 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.089 8.419 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.828 8.118 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.423 8.854 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.434 9.136 -4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.975 10.259 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.124 10.536 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 67 2.106 11.513 -5.985 1.00 0.00 H new ATOM 1001 N THR A 68 -3.206 5.838 -3.526 1.00 0.00 N ATOM 1002 CA THR A 68 -4.190 5.610 -4.587 1.00 0.00 C ATOM 1003 C THR A 68 -5.559 6.143 -4.138 1.00 0.00 C ATOM 1004 O THR A 68 -5.775 6.385 -2.946 1.00 0.00 O ATOM 1005 CB THR A 68 -4.306 4.109 -4.968 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.801 3.987 -6.305 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.241 3.352 -4.034 1.00 0.00 C ATOM 0 H THR A 68 -3.558 5.633 -2.591 1.00 0.00 H new ATOM 0 HA THR A 68 -3.851 6.144 -5.475 1.00 0.00 H new ATOM 0 HB THR A 68 -3.309 3.676 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.607 4.809 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.291 2.307 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.865 3.415 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.237 3.792 -4.081 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.476 6.302 -5.088 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.776 6.924 -4.838 1.00 0.00 C ATOM 1017 C GLU A 69 -8.806 5.829 -4.537 1.00 0.00 C ATOM 1018 O GLU A 69 -8.979 4.917 -5.348 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.211 7.719 -6.085 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.543 8.449 -5.937 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.954 9.152 -7.216 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.653 8.533 -8.046 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.576 10.327 -7.402 1.00 0.00 O ATOM 0 H GLU A 69 -6.340 6.004 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.705 7.601 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.436 8.448 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.278 7.035 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.317 7.736 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.468 9.179 -5.131 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.478 5.890 -3.385 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.407 4.823 -3.021 1.00 0.00 C ATOM 1032 C PHE A 70 -11.811 5.335 -2.747 1.00 0.00 C ATOM 1033 O PHE A 70 -12.011 6.516 -2.491 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.889 4.046 -1.796 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.022 4.726 -0.440 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.254 5.144 0.050 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.909 4.904 0.362 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.370 5.726 1.298 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.020 5.491 1.615 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.254 5.900 2.081 1.00 0.00 C ATOM 0 H PHE A 70 -9.399 6.646 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.464 4.156 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.417 3.094 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.836 3.819 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.138 5.011 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.941 4.582 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.337 6.044 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.140 5.628 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.342 6.355 3.057 1.00 0.00 H new ATOM 1050 N THR A 71 -12.778 4.432 -2.846 1.00 0.00 N ATOM 1051 CA THR A 71 -14.108 4.642 -2.286 1.00 0.00 C ATOM 1052 C THR A 71 -14.642 3.312 -1.726 1.00 0.00 C ATOM 1053 O THR A 71 -14.929 2.392 -2.496 1.00 0.00 O ATOM 1054 CB THR A 71 -15.060 5.198 -3.370 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.503 6.398 -3.926 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.433 5.500 -2.798 1.00 0.00 C ATOM 0 H THR A 71 -12.663 3.534 -3.316 1.00 0.00 H new ATOM 0 HA THR A 71 -14.051 5.370 -1.477 1.00 0.00 H new ATOM 0 HB THR A 71 -15.171 4.440 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.105 6.750 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.078 5.889 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.867 4.586 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.342 6.242 -2.005 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.754 3.159 -0.381 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.112 1.872 0.211 1.00 0.00 C ATOM 1066 C PRO A 72 -16.547 1.469 -0.044 1.00 0.00 C ATOM 1067 O PRO A 72 -17.469 2.288 -0.035 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.870 2.031 1.713 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.474 3.457 1.951 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.553 4.206 0.647 1.00 0.00 C ATOM 0 HA PRO A 72 -14.511 1.081 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.770 1.783 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.086 1.353 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.133 3.914 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.462 3.506 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.377 4.920 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.641 4.773 0.461 1.00 0.00 H new ATOM 1078 N THR A 73 -16.693 0.183 -0.269 1.00 0.00 N ATOM 1079 CA THR A 73 -17.963 -0.458 -0.498 1.00 0.00 C ATOM 1080 C THR A 73 -17.989 -1.736 0.332 1.00 0.00 C ATOM 1081 O THR A 73 -16.935 -2.315 0.597 1.00 0.00 O ATOM 1082 CB THR A 73 -18.131 -0.787 -1.999 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.004 -1.543 -2.464 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.262 0.483 -2.831 1.00 0.00 C ATOM 0 H THR A 73 -15.905 -0.464 -0.298 1.00 0.00 H new ATOM 0 HA THR A 73 -18.782 0.200 -0.208 1.00 0.00 H new ATOM 0 HB THR A 73 -19.043 -1.373 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.118 -1.749 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.379 0.219 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.134 1.047 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.367 1.093 -2.707 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.169 -2.158 0.774 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.295 -3.356 1.611 1.00 0.00 C ATOM 1094 C GLU A 74 -18.905 -4.635 0.866 1.00 0.00 C ATOM 1095 O GLU A 74 -19.052 -5.730 1.404 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.716 -3.492 2.204 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.845 -3.567 1.183 1.00 0.00 C ATOM 1098 CD GLU A 74 -22.073 -2.268 0.436 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.875 -1.192 1.038 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.455 -2.314 -0.751 1.00 0.00 O ATOM 0 H GLU A 74 -20.053 -1.692 0.570 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.590 -3.226 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.749 -4.388 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.900 -2.643 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.622 -4.356 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.766 -3.850 1.692 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.466 -4.507 -0.382 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.035 -5.668 -1.149 1.00 0.00 C ATOM 1109 C LYS A 75 -16.537 -5.663 -1.488 1.00 0.00 C ATOM 1110 O LYS A 75 -15.985 -6.724 -1.786 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.864 -5.789 -2.436 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.383 -5.949 -2.240 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.791 -7.366 -1.826 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.724 -7.586 -0.319 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.997 -7.241 0.364 1.00 0.00 N ATOM 0 H LYS A 75 -18.400 -3.619 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.203 -6.535 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.686 -4.903 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.497 -6.645 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.721 -5.244 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.892 -5.687 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.806 -7.562 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.140 -8.086 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.479 -8.629 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.917 -6.983 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.831 -7.161 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.352 -6.334 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.700 -7.986 0.184 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.876 -4.505 -1.491 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.477 -4.464 -1.920 1.00 0.00 C ATOM 1131 C ASP A 76 -13.484 -4.430 -0.746 1.00 0.00 C ATOM 1132 O ASP A 76 -13.638 -3.663 0.210 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.205 -3.284 -2.844 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.795 -3.347 -3.370 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -11.956 -2.533 -2.949 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -12.520 -4.232 -4.206 1.00 0.00 O ATOM 0 H ASP A 76 -16.271 -3.608 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.318 -5.395 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.911 -3.293 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.358 -2.349 -2.306 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.466 -5.273 -0.867 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.384 -5.421 0.105 1.00 0.00 C ATOM 1143 C GLU A 77 -10.120 -4.753 -0.449 1.00 0.00 C ATOM 1144 O GLU A 77 -9.819 -4.896 -1.632 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.207 -6.938 0.331 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.992 -7.415 1.110 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.763 -7.640 0.247 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.979 -6.706 0.036 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.577 -8.788 -0.211 1.00 0.00 O ATOM 0 H GLU A 77 -12.365 -5.894 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.600 -4.938 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.096 -7.303 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.185 -7.419 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.755 -6.681 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.241 -8.345 1.621 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.392 -4.026 0.397 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.206 -3.285 -0.049 1.00 0.00 C ATOM 1158 C TYR A 78 -6.942 -3.865 0.578 1.00 0.00 C ATOM 1159 O TYR A 78 -6.864 -4.037 1.799 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.321 -1.793 0.299 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.379 -1.044 -0.483 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.726 -1.175 -0.171 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -9.027 -0.189 -1.522 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.691 -0.476 -0.872 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.985 0.509 -2.228 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.316 0.363 -1.899 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.273 1.065 -2.596 1.00 0.00 O ATOM 0 H TYR A 78 -9.599 -3.932 1.391 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.144 -3.384 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.538 -1.697 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.355 -1.318 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.024 -1.833 0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.985 -0.069 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.734 -0.587 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.694 1.166 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.078 1.156 -2.045 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.954 -4.156 -0.260 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.728 -4.808 0.181 1.00 0.00 C ATOM 1179 C ALA A 79 -3.487 -4.112 -0.375 1.00 0.00 C ATOM 1180 O ALA A 79 -3.583 -3.323 -1.309 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.752 -6.255 -0.266 1.00 0.00 C ATOM 0 H ALA A 79 -5.980 -3.948 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.677 -4.749 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.838 -6.752 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.614 -6.757 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.821 -6.299 -1.353 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.326 -4.384 0.217 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.069 -3.883 -0.326 1.00 0.00 C ATOM 1189 C CYS A 80 -0.056 -5.026 -0.478 1.00 0.00 C ATOM 1190 O CYS A 80 0.189 -5.780 0.463 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.521 -2.769 0.560 1.00 0.00 C ATOM 1192 SG CYS A 80 1.109 -2.139 0.058 1.00 0.00 S ATOM 0 H CYS A 80 -2.231 -4.943 1.065 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.251 -3.468 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.231 -1.942 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.455 -3.136 1.584 1.00 0.00 H new ATOM 1197 N ARG A 81 0.485 -5.169 -1.685 1.00 0.00 N ATOM 1198 CA ARG A 81 1.397 -6.268 -2.030 1.00 0.00 C ATOM 1199 C ARG A 81 2.835 -5.764 -2.087 1.00 0.00 C ATOM 1200 O ARG A 81 3.100 -4.757 -2.732 1.00 0.00 O ATOM 1201 CB ARG A 81 0.996 -6.801 -3.408 1.00 0.00 C ATOM 1202 CG ARG A 81 1.488 -8.206 -3.758 1.00 0.00 C ATOM 1203 CD ARG A 81 0.763 -8.733 -5.005 1.00 0.00 C ATOM 1204 NE ARG A 81 0.972 -7.837 -6.144 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.919 -8.214 -7.420 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.633 -9.474 -7.735 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.154 -7.325 -8.379 1.00 0.00 N ATOM 0 H ARG A 81 0.306 -4.527 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 81 1.332 -7.052 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.092 -6.792 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.368 -6.110 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.563 -8.188 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.315 -8.878 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.128 -9.731 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.304 -8.825 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 81 1.172 -6.856 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.453 -10.156 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.593 -9.759 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.374 -6.359 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.115 -7.609 -9.358 1.00 0.00 H new ATOM 1221 N VAL A 82 3.761 -6.450 -1.422 1.00 0.00 N ATOM 1222 CA VAL A 82 5.165 -6.045 -1.486 1.00 0.00 C ATOM 1223 C VAL A 82 6.095 -7.235 -1.719 1.00 0.00 C ATOM 1224 O VAL A 82 5.925 -8.309 -1.134 1.00 0.00 O ATOM 1225 CB VAL A 82 5.610 -5.260 -0.221 1.00 0.00 C ATOM 1226 CG1 VAL A 82 5.986 -6.191 0.920 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.761 -4.320 -0.548 1.00 0.00 C ATOM 0 H VAL A 82 3.573 -7.270 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 82 5.244 -5.376 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 82 4.758 -4.666 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.291 -5.602 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.127 -6.807 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.810 -6.833 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.057 -3.780 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.608 -4.897 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.444 -3.608 -1.310 1.00 0.00 H new ATOM 1237 N ASN A 83 7.047 -7.029 -2.617 1.00 0.00 N ATOM 1238 CA ASN A 83 8.065 -8.031 -2.919 1.00 0.00 C ATOM 1239 C ASN A 83 9.456 -7.432 -2.842 1.00 0.00 C ATOM 1240 O ASN A 83 9.672 -6.278 -3.223 1.00 0.00 O ATOM 1241 CB ASN A 83 7.835 -8.644 -4.307 1.00 0.00 C ATOM 1242 CG ASN A 83 8.700 -9.870 -4.554 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.090 -10.571 -3.619 1.00 0.00 O ATOM 1244 ND2 ASN A 83 8.985 -10.149 -5.813 1.00 0.00 N ATOM 0 H ASN A 83 7.138 -6.168 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 83 7.984 -8.820 -2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.785 -8.918 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.046 -7.895 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.547 -10.970 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.643 -9.544 -6.559 1.00 0.00 H new ATOM 1251 N HIS A 84 10.385 -8.226 -2.329 1.00 0.00 N ATOM 1252 CA HIS A 84 11.787 -7.863 -2.287 1.00 0.00 C ATOM 1253 C HIS A 84 12.614 -9.077 -2.692 1.00 0.00 C ATOM 1254 O HIS A 84 12.110 -10.204 -2.632 1.00 0.00 O ATOM 1255 CB HIS A 84 12.201 -7.387 -0.880 1.00 0.00 C ATOM 1256 CG HIS A 84 13.601 -6.841 -0.801 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.667 -7.664 -0.524 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.056 -5.571 -0.957 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.735 -6.888 -0.514 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.415 -5.613 -0.773 1.00 0.00 N ATOM 0 H HIS A 84 10.183 -9.143 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 84 11.962 -7.038 -2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.504 -6.617 -0.549 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.109 -8.221 -0.185 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.463 -4.697 -1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.739 -7.237 -0.322 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.059 -4.824 -0.824 1.00 0.00 H new ATOM 1268 N VAL A 85 13.853 -8.851 -3.104 1.00 0.00 N ATOM 1269 CA VAL A 85 14.750 -9.937 -3.513 1.00 0.00 C ATOM 1270 C VAL A 85 14.745 -11.090 -2.496 1.00 0.00 C ATOM 1271 O VAL A 85 14.760 -12.266 -2.875 1.00 0.00 O ATOM 1272 CB VAL A 85 16.202 -9.433 -3.701 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.113 -10.561 -4.176 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.242 -8.262 -4.679 1.00 0.00 C ATOM 0 H VAL A 85 14.268 -7.921 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 85 14.374 -10.305 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 85 16.568 -9.087 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.127 -10.182 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.114 -11.363 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.750 -10.945 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.271 -7.922 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.852 -8.581 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.632 -7.445 -4.293 1.00 0.00 H new ATOM 1284 N THR A 86 14.679 -10.753 -1.210 1.00 0.00 N ATOM 1285 CA THR A 86 14.745 -11.770 -0.157 1.00 0.00 C ATOM 1286 C THR A 86 13.495 -12.656 -0.146 1.00 0.00 C ATOM 1287 O THR A 86 13.607 -13.883 -0.212 1.00 0.00 O ATOM 1288 CB THR A 86 14.971 -11.159 1.255 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.811 -12.171 2.257 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.012 -10.009 1.535 1.00 0.00 C ATOM 0 H THR A 86 14.581 -9.796 -0.872 1.00 0.00 H new ATOM 0 HA THR A 86 15.612 -12.386 -0.395 1.00 0.00 H new ATOM 0 HB THR A 86 15.987 -10.765 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.956 -11.779 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.203 -9.610 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.161 -9.223 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.985 -10.370 1.479 1.00 0.00 H new ATOM 1298 N LEU A 87 12.311 -12.046 -0.049 1.00 0.00 N ATOM 1299 CA LEU A 87 11.063 -12.806 0.001 1.00 0.00 C ATOM 1300 C LEU A 87 10.925 -13.747 -1.191 1.00 0.00 C ATOM 1301 O LEU A 87 10.562 -14.913 -1.024 1.00 0.00 O ATOM 1302 CB LEU A 87 9.845 -11.878 0.034 1.00 0.00 C ATOM 1303 CG LEU A 87 9.900 -10.747 1.062 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.730 -9.806 0.868 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.911 -11.304 2.479 1.00 0.00 C ATOM 0 H LEU A 87 12.192 -11.034 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 87 11.100 -13.393 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.719 -11.439 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.958 -12.480 0.231 1.00 0.00 H new ATOM 0 HG LEU A 87 10.824 -10.189 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.781 -9.005 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.769 -9.379 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.797 -10.355 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.950 -10.481 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.006 -11.888 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.785 -11.942 2.612 1.00 0.00 H new ATOM 1317 N SER A 88 11.197 -13.214 -2.390 1.00 0.00 N ATOM 1318 CA SER A 88 11.041 -13.944 -3.656 1.00 0.00 C ATOM 1319 C SER A 88 9.559 -14.133 -4.007 1.00 0.00 C ATOM 1320 O SER A 88 9.192 -14.236 -5.179 1.00 0.00 O ATOM 1321 CB SER A 88 11.761 -15.298 -3.616 1.00 0.00 C ATOM 1322 OG SER A 88 13.151 -15.133 -3.373 1.00 0.00 O ATOM 0 H SER A 88 11.533 -12.259 -2.510 1.00 0.00 H new ATOM 0 HA SER A 88 11.504 -13.340 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.324 -15.922 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.614 -15.819 -4.562 1.00 0.00 H new ATOM 0 HG SER A 88 13.586 -16.011 -3.351 1.00 0.00 H new ATOM 1328 N GLN A 89 8.723 -14.166 -2.984 1.00 0.00 N ATOM 1329 CA GLN A 89 7.284 -14.259 -3.155 1.00 0.00 C ATOM 1330 C GLN A 89 6.609 -13.150 -2.343 1.00 0.00 C ATOM 1331 O GLN A 89 6.728 -13.127 -1.118 1.00 0.00 O ATOM 1332 CB GLN A 89 6.753 -15.649 -2.734 1.00 0.00 C ATOM 1333 CG GLN A 89 7.060 -16.068 -1.290 1.00 0.00 C ATOM 1334 CD GLN A 89 6.427 -17.394 -0.923 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.361 -17.748 -1.428 1.00 0.00 O ATOM 1336 NE2 GLN A 89 7.081 -18.137 -0.046 1.00 0.00 N ATOM 0 H GLN A 89 9.023 -14.129 -2.010 1.00 0.00 H new ATOM 0 HA GLN A 89 7.047 -14.132 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.672 -15.663 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.172 -16.397 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.140 -16.135 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.702 -15.297 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.961 -17.805 0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.705 -19.042 0.237 1.00 0.00 H new ATOM 1345 N PRO A 90 5.930 -12.189 -2.999 1.00 0.00 N ATOM 1346 CA PRO A 90 5.302 -11.076 -2.280 1.00 0.00 C ATOM 1347 C PRO A 90 4.161 -11.526 -1.373 1.00 0.00 C ATOM 1348 O PRO A 90 3.577 -12.596 -1.571 1.00 0.00 O ATOM 1349 CB PRO A 90 4.757 -10.165 -3.367 1.00 0.00 C ATOM 1350 CG PRO A 90 4.660 -11.017 -4.593 1.00 0.00 C ATOM 1351 CD PRO A 90 5.731 -12.092 -4.462 1.00 0.00 C ATOM 0 HA PRO A 90 6.027 -10.590 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.782 -9.764 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.417 -9.313 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.670 -11.465 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.817 -10.421 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.405 -13.041 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.650 -11.811 -4.976 1.00 0.00 H new ATOM 1359 N LYS A 91 3.838 -10.704 -0.390 1.00 0.00 N ATOM 1360 CA LYS A 91 2.711 -10.981 0.488 1.00 0.00 C ATOM 1361 C LYS A 91 1.691 -9.838 0.477 1.00 0.00 C ATOM 1362 O LYS A 91 2.035 -8.682 0.233 1.00 0.00 O ATOM 1363 CB LYS A 91 3.143 -11.340 1.926 1.00 0.00 C ATOM 1364 CG LYS A 91 4.503 -10.808 2.403 1.00 0.00 C ATOM 1365 CD LYS A 91 4.474 -10.039 3.730 1.00 0.00 C ATOM 1366 CE LYS A 91 4.382 -10.989 4.932 1.00 0.00 C ATOM 1367 NZ LYS A 91 3.115 -11.769 4.969 1.00 0.00 N ATOM 0 H LYS A 91 4.338 -9.840 -0.179 1.00 0.00 H new ATOM 0 HA LYS A 91 2.222 -11.867 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.378 -10.973 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.155 -12.426 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.189 -11.649 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.911 -10.155 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.372 -9.428 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.623 -9.358 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.225 -11.679 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.472 -10.410 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.969 -12.150 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.318 -11.149 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.171 -12.554 4.289 1.00 0.00 H new ATOM 1381 N ILE A 92 0.432 -10.202 0.721 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.675 -9.251 0.713 1.00 0.00 C ATOM 1383 C ILE A 92 -1.091 -8.889 2.136 1.00 0.00 C ATOM 1384 O ILE A 92 -1.198 -9.753 3.008 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.906 -9.764 -0.115 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.950 -9.101 -1.495 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.227 -9.523 0.598 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.685 -7.622 -1.457 1.00 0.00 C ATOM 0 H ILE A 92 0.153 -11.161 0.929 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.313 -8.352 0.215 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.773 -10.840 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.214 -9.578 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.928 -9.276 -1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.046 -9.896 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.225 -10.045 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.359 -8.455 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.732 -7.218 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.436 -7.134 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.695 -7.440 -1.039 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.290 -7.598 2.368 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.816 -7.105 3.629 1.00 0.00 C ATOM 1402 C VAL A 93 -3.158 -6.442 3.370 1.00 0.00 C ATOM 1403 O VAL A 93 -3.245 -5.496 2.593 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.864 -6.088 4.298 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.509 -4.944 3.366 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.468 -5.547 5.583 1.00 0.00 C ATOM 0 H VAL A 93 -1.091 -6.866 1.686 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.922 -7.951 4.308 1.00 0.00 H new ATOM 0 HB VAL A 93 0.056 -6.621 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.162 -4.253 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.016 -5.338 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.418 -4.418 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.780 -4.833 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.412 -5.050 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.646 -6.369 6.276 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.203 -6.936 3.994 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.524 -6.419 3.721 1.00 0.00 C ATOM 1418 C LYS A 94 -6.029 -5.599 4.897 1.00 0.00 C ATOM 1419 O LYS A 94 -5.706 -5.884 6.053 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.472 -7.567 3.396 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.962 -8.421 2.251 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.512 -9.829 2.306 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.924 -10.623 3.460 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.358 -12.041 3.421 1.00 0.00 N ATOM 0 H LYS A 94 -4.166 -7.685 4.685 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.478 -5.758 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.604 -8.189 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.452 -7.166 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.240 -7.960 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.873 -8.456 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.597 -9.791 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.297 -10.340 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.836 -10.573 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.229 -10.174 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.939 -12.555 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.395 -12.089 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.045 -12.476 2.530 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.800 -4.571 4.591 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.294 -3.646 5.603 1.00 0.00 C ATOM 1440 C TRP A 95 -8.558 -4.213 6.258 1.00 0.00 C ATOM 1441 O TRP A 95 -9.538 -4.538 5.580 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.537 -2.264 4.955 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.983 -1.169 5.893 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.412 -0.790 7.082 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.083 -0.269 5.679 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.116 0.245 7.635 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.146 0.586 6.801 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.034 -0.113 4.658 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.114 1.573 6.931 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.990 0.870 4.783 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.033 1.699 5.910 1.00 0.00 C ATOM 0 H TRP A 95 -7.101 -4.352 3.641 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.554 -3.519 6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.616 -1.946 4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.289 -2.377 4.174 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.534 -1.243 7.518 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.906 0.692 8.528 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.016 -0.754 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.146 2.217 7.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.719 1.004 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.802 2.454 5.982 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.517 -4.334 7.583 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.586 -4.980 8.346 1.00 0.00 C ATOM 1464 C ASP A 96 -10.845 -4.107 8.362 1.00 0.00 C ATOM 1465 O ASP A 96 -10.913 -3.091 9.057 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.110 -5.311 9.779 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.619 -4.107 10.556 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.127 -3.872 11.675 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.710 -3.405 10.067 1.00 0.00 O ATOM 0 H ASP A 96 -7.747 -3.990 8.157 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.841 -5.919 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.931 -5.774 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.308 -6.047 9.724 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.840 -4.524 7.574 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.096 -3.788 7.428 1.00 0.00 C ATOM 1476 C ARG A 97 -14.034 -4.529 6.473 1.00 0.00 C ATOM 1477 O ARG A 97 -15.245 -4.325 6.488 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.817 -2.362 6.913 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.434 -2.290 5.430 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.627 -1.919 4.523 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.874 -1.743 5.268 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.088 -1.928 4.747 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.229 -2.278 3.472 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.161 -1.775 5.514 1.00 0.00 N ATOM 0 H ARG A 97 -11.796 -5.380 7.021 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.580 -3.717 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.703 -1.749 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.013 -1.925 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.641 -1.554 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.030 -3.253 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.397 -0.998 3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.764 -2.699 3.774 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.811 -1.461 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.405 -2.407 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.161 -2.417 3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.054 -1.518 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.092 -1.915 5.122 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.465 -5.428 5.685 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.210 -6.102 4.624 1.00 0.00 C ATOM 1500 C ASP A 98 -13.529 -7.422 4.227 1.00 0.00 C ATOM 1501 O ASP A 98 -14.082 -8.209 3.463 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.326 -5.184 3.408 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.415 -5.633 2.454 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.586 -5.280 2.697 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.113 -6.351 1.481 1.00 0.00 O ATOM 0 H ASP A 98 -12.488 -5.711 5.758 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.208 -6.334 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.534 -4.167 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.372 -5.159 2.882 1.00 0.00 H new ATOM 1510 N MET A 99 -12.330 -7.669 4.766 1.00 0.00 N ATOM 1511 CA MET A 99 -11.579 -8.890 4.447 1.00 0.00 C ATOM 1512 C MET A 99 -12.135 -10.083 5.217 1.00 0.00 C ATOM 1513 CB MET A 99 -10.072 -8.747 4.740 1.00 0.00 C ATOM 1514 CG MET A 99 -9.738 -8.243 6.150 1.00 0.00 C ATOM 1515 SD MET A 99 -7.973 -8.290 6.514 1.00 0.00 S ATOM 1516 CE MET A 99 -7.695 -10.056 6.597 1.00 0.00 C ATOM 0 H MET A 99 -11.860 -7.044 5.421 1.00 0.00 H new ATOM 0 HA MET A 99 -11.698 -9.056 3.376 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.594 -9.715 4.592 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.638 -8.062 4.012 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.099 -7.220 6.259 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.271 -8.849 6.882 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.649 -10.249 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.328 -10.488 7.372 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.939 -10.508 5.636 1.00 0.00 H new TER 1525 MET A 99