USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 926 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 72 CYS SG : rot -127:sc= 1.03 USER MOD Set 1.2: A 90 CYS SG : rot 33:sc= -0.719 USER MOD Set 2.1: A 85 THR OG1 : rot 144:sc= 0.248 USER MOD Set 2.2: A 89 LYS NZ :NH3+ 172:sc= 0.267 (180deg=0) USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 1.16 USER MOD Set 3.2: A 76 CYS SG : rot -54:sc= 0.583 USER MOD Set 4.1: A 42 ASN : amide:sc= 0.959 K(o=3.3,f=1.5) USER MOD Set 4.2: A 55 GLN : amide:sc= 2.37 K(o=3.3,f=-0.39) USER MOD Set 5.1: A 28 CYS SG : rot 160:sc= 0.659 USER MOD Set 5.2: A 32 HIS : no HD1:sc= 0 X(o=1,f=0.95) USER MOD Set 5.3: A 110 CYS SG : rot -40:sc= 0.341 USER MOD Set 6.1: A 7 CYS SG : rot 180:sc= 0.555 USER MOD Set 6.2: A 119 SER OG : rot 180:sc= 0.0272 USER MOD Set 6.3: A 120 CYS SG : rot -59:sc= 0.296 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0.838 (180deg=0.788) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.15) USER MOD Single : A 16 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-2.7) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 23 MET CE :methyl 146:sc= -0.222 (180deg=-4.12!) USER MOD Single : A 25 ASN : amide:sc= 0.457 K(o=0.46,f=-2.5!) USER MOD Single : A 34 SER OG : rot -112:sc= 1.24 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 169:sc= 1.17 USER MOD Single : A 39 SER OG : rot 180:sc= -0.381 USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 1.12 (180deg=0.614) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 44 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.315 K(o=0.32,f=-2.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.00477 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.6 K(o=1.6,f=-5.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -148:sc= 0.447 USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.09) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 0.516 (180deg=0.228) USER MOD Single : A 73 ASN : amide:sc= -0.0373 K(o=-0.037,f=-0.82) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 1.05 (180deg=0.433) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -92:sc= 0.954 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0.902 (180deg=0.9) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -175:sc= 0.891 (180deg=0.867) USER MOD Single : A 108 ASN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.039) USER MOD Single : A 111 GLN : amide:sc= 1.5 K(o=1.5,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 73:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.265 -7.484 10.144 1.00 0.00 N ATOM 2 CA GLY A 1 -7.916 -7.317 8.723 1.00 0.00 C ATOM 3 C GLY A 1 -8.590 -8.357 7.847 1.00 0.00 C ATOM 4 O GLY A 1 -9.159 -9.337 8.338 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.695 -6.833 10.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.274 -7.274 10.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.073 -8.463 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.208 -6.320 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.835 -7.388 8.604 1.00 0.00 H new ATOM 10 N LYS A 2 -8.520 -8.152 6.530 1.00 0.00 N ATOM 11 CA LYS A 2 -9.212 -8.939 5.501 1.00 0.00 C ATOM 12 C LYS A 2 -8.503 -8.878 4.133 1.00 0.00 C ATOM 13 O LYS A 2 -7.668 -7.997 3.891 1.00 0.00 O ATOM 14 CB LYS A 2 -10.680 -8.468 5.403 1.00 0.00 C ATOM 15 CG LYS A 2 -10.828 -7.039 4.843 1.00 0.00 C ATOM 16 CD LYS A 2 -12.287 -6.581 4.724 1.00 0.00 C ATOM 17 CE LYS A 2 -13.048 -7.364 3.645 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.439 -6.865 3.483 1.00 0.00 N ATOM 0 H LYS A 2 -7.956 -7.401 6.132 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.189 -9.987 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.234 -9.159 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.135 -8.511 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.289 -6.346 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.358 -6.991 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.787 -6.708 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.315 -5.517 4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.519 -7.283 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.069 -8.421 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.922 -7.417 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.951 -6.965 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.418 -5.863 3.207 1.00 0.00 H new ATOM 32 N THR A 3 -8.896 -9.777 3.219 1.00 0.00 N ATOM 33 CA THR A 3 -8.354 -9.876 1.854 1.00 0.00 C ATOM 34 C THR A 3 -9.385 -9.415 0.829 1.00 0.00 C ATOM 35 O THR A 3 -10.554 -9.795 0.898 1.00 0.00 O ATOM 36 CB THR A 3 -7.862 -11.297 1.550 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.116 -11.782 2.647 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.936 -11.297 0.333 1.00 0.00 C ATOM 0 H THR A 3 -9.617 -10.472 3.412 1.00 0.00 H new ATOM 0 HA THR A 3 -7.492 -9.213 1.786 1.00 0.00 H new ATOM 0 HB THR A 3 -8.734 -11.922 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.803 -12.690 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.598 -12.314 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.475 -10.917 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.074 -10.660 0.532 1.00 0.00 H new ATOM 46 N PHE A 4 -8.933 -8.599 -0.122 1.00 0.00 N ATOM 47 CA PHE A 4 -9.712 -8.031 -1.224 1.00 0.00 C ATOM 48 C PHE A 4 -9.437 -8.796 -2.529 1.00 0.00 C ATOM 49 O PHE A 4 -8.377 -9.402 -2.708 1.00 0.00 O ATOM 50 CB PHE A 4 -9.360 -6.532 -1.369 1.00 0.00 C ATOM 51 CG PHE A 4 -9.818 -5.655 -0.211 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.142 -5.693 1.027 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.934 -4.805 -0.358 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.610 -4.937 2.116 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.400 -4.050 0.732 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.748 -4.126 1.974 1.00 0.00 C ATOM 0 H PHE A 4 -7.958 -8.299 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.776 -8.126 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.279 -6.435 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.805 -6.156 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.260 -6.306 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.433 -4.734 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.094 -4.980 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.262 -3.410 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.121 -3.563 2.817 1.00 0.00 H new ATOM 66 N THR A 5 -10.388 -8.730 -3.466 1.00 0.00 N ATOM 67 CA THR A 5 -10.227 -9.179 -4.865 1.00 0.00 C ATOM 68 C THR A 5 -9.858 -7.973 -5.723 1.00 0.00 C ATOM 69 O THR A 5 -10.083 -6.845 -5.290 1.00 0.00 O ATOM 70 CB THR A 5 -11.478 -9.922 -5.353 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.161 -10.496 -6.601 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.714 -9.038 -5.527 1.00 0.00 C ATOM 0 H THR A 5 -11.317 -8.354 -3.274 1.00 0.00 H new ATOM 0 HA THR A 5 -9.417 -9.904 -4.943 1.00 0.00 H new ATOM 0 HB THR A 5 -11.738 -10.656 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.939 -10.983 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.550 -9.645 -5.874 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.971 -8.579 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.504 -8.258 -6.259 1.00 0.00 H new ATOM 80 N ARG A 6 -9.296 -8.166 -6.923 1.00 0.00 N ATOM 81 CA ARG A 6 -8.835 -7.049 -7.765 1.00 0.00 C ATOM 82 C ARG A 6 -9.960 -6.043 -8.047 1.00 0.00 C ATOM 83 O ARG A 6 -9.775 -4.845 -7.842 1.00 0.00 O ATOM 84 CB ARG A 6 -8.194 -7.573 -9.062 1.00 0.00 C ATOM 85 CG ARG A 6 -7.474 -6.445 -9.824 1.00 0.00 C ATOM 86 CD ARG A 6 -6.758 -6.950 -11.081 1.00 0.00 C ATOM 87 NE ARG A 6 -5.643 -7.854 -10.744 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.216 -8.900 -11.437 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.794 -9.297 -12.553 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.167 -9.560 -11.005 1.00 0.00 N ATOM 0 H ARG A 6 -9.148 -9.087 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.068 -6.508 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.484 -8.366 -8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.962 -8.012 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.199 -5.681 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.749 -5.970 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.470 -7.472 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.380 -6.101 -11.651 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.143 -7.651 -9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.604 -8.793 -12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.432 -10.108 -13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.696 -9.265 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.823 -10.368 -11.524 1.00 0.00 H new ATOM 104 N CYS A 7 -11.156 -6.516 -8.413 1.00 0.00 N ATOM 105 CA CYS A 7 -12.331 -5.657 -8.646 1.00 0.00 C ATOM 106 C CYS A 7 -12.741 -4.852 -7.402 1.00 0.00 C ATOM 107 O CYS A 7 -13.061 -3.670 -7.513 1.00 0.00 O ATOM 108 CB CYS A 7 -13.501 -6.514 -9.148 1.00 0.00 C ATOM 109 SG CYS A 7 -13.159 -7.474 -10.648 1.00 0.00 S ATOM 0 H CYS A 7 -11.341 -7.509 -8.558 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.056 -4.925 -9.405 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.795 -7.201 -8.354 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.354 -5.862 -9.338 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.215 -8.158 -10.976 1.00 0.00 H new ATOM 114 N GLY A 8 -12.644 -5.460 -6.213 1.00 0.00 N ATOM 115 CA GLY A 8 -12.917 -4.803 -4.929 1.00 0.00 C ATOM 116 C GLY A 8 -11.845 -3.772 -4.587 1.00 0.00 C ATOM 117 O GLY A 8 -12.180 -2.652 -4.220 1.00 0.00 O ATOM 0 H GLY A 8 -12.369 -6.437 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.891 -4.316 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.967 -5.553 -4.139 1.00 0.00 H new ATOM 121 N LEU A 9 -10.565 -4.109 -4.770 1.00 0.00 N ATOM 122 CA LEU A 9 -9.425 -3.220 -4.569 1.00 0.00 C ATOM 123 C LEU A 9 -9.460 -2.020 -5.520 1.00 0.00 C ATOM 124 O LEU A 9 -9.385 -0.896 -5.039 1.00 0.00 O ATOM 125 CB LEU A 9 -8.141 -4.061 -4.709 1.00 0.00 C ATOM 126 CG LEU A 9 -6.862 -3.252 -4.443 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.852 -2.681 -3.020 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.632 -4.136 -4.672 1.00 0.00 C ATOM 0 H LEU A 9 -10.288 -5.043 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.459 -2.784 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.185 -4.900 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.096 -4.481 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.836 -2.413 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.935 -2.114 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.712 -2.025 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.902 -3.498 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.728 -3.558 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.666 -4.989 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.626 -4.491 -5.703 1.00 0.00 H new ATOM 140 N VAL A 10 -9.649 -2.233 -6.826 1.00 0.00 N ATOM 141 CA VAL A 10 -9.812 -1.151 -7.823 1.00 0.00 C ATOM 142 C VAL A 10 -10.875 -0.142 -7.354 1.00 0.00 C ATOM 143 O VAL A 10 -10.648 1.063 -7.374 1.00 0.00 O ATOM 144 CB VAL A 10 -10.182 -1.722 -9.218 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.682 -0.646 -10.196 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.982 -2.421 -9.875 1.00 0.00 C ATOM 0 H VAL A 10 -9.695 -3.167 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.857 -0.634 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.987 -2.432 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.924 -1.108 -11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.573 -0.169 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.904 0.103 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.276 -2.809 -10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.168 -1.707 -9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.649 -3.244 -9.242 1.00 0.00 H new ATOM 156 N HIS A 11 -12.012 -0.637 -6.859 1.00 0.00 N ATOM 157 CA HIS A 11 -13.109 0.184 -6.329 1.00 0.00 C ATOM 158 C HIS A 11 -12.768 0.893 -5.003 1.00 0.00 C ATOM 159 O HIS A 11 -13.062 2.078 -4.852 1.00 0.00 O ATOM 160 CB HIS A 11 -14.355 -0.694 -6.148 1.00 0.00 C ATOM 161 CG HIS A 11 -15.031 -1.146 -7.420 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.269 -1.793 -7.457 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.586 -0.973 -8.704 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.533 -2.004 -8.757 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.544 -1.522 -9.528 1.00 0.00 N ATOM 0 H HIS A 11 -12.202 -1.638 -6.813 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.293 0.975 -7.056 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.074 -1.577 -5.575 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.080 -0.143 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.665 -0.499 -9.010 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.419 -2.494 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.509 -1.557 -10.547 1.00 0.00 H new ATOM 173 N GLU A 12 -12.126 0.196 -4.063 1.00 0.00 N ATOM 174 CA GLU A 12 -11.721 0.727 -2.755 1.00 0.00 C ATOM 175 C GLU A 12 -10.709 1.871 -2.905 1.00 0.00 C ATOM 176 O GLU A 12 -10.807 2.887 -2.226 1.00 0.00 O ATOM 177 CB GLU A 12 -11.144 -0.425 -1.913 1.00 0.00 C ATOM 178 CG GLU A 12 -11.362 -0.276 -0.405 1.00 0.00 C ATOM 179 CD GLU A 12 -12.848 -0.232 -0.003 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.632 -1.110 -0.429 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.241 0.682 0.761 1.00 0.00 O ATOM 0 H GLU A 12 -11.865 -0.782 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.591 1.145 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.595 -1.361 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.074 -0.501 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.879 -1.107 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.874 0.637 -0.063 1.00 0.00 H new ATOM 188 N LEU A 13 -9.787 1.754 -3.861 1.00 0.00 N ATOM 189 CA LEU A 13 -8.814 2.796 -4.191 1.00 0.00 C ATOM 190 C LEU A 13 -9.456 3.960 -4.953 1.00 0.00 C ATOM 191 O LEU A 13 -9.192 5.115 -4.627 1.00 0.00 O ATOM 192 CB LEU A 13 -7.679 2.155 -4.994 1.00 0.00 C ATOM 193 CG LEU A 13 -6.917 1.052 -4.246 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.917 0.410 -5.208 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.184 1.556 -3.004 1.00 0.00 C ATOM 0 H LEU A 13 -9.694 0.918 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.418 3.225 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.091 1.736 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.973 2.933 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.652 0.327 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.368 -0.376 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.451 -0.019 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.218 1.167 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.667 0.725 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.458 2.316 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.903 1.987 -2.307 1.00 0.00 H new ATOM 207 N ARG A 14 -10.341 3.683 -5.918 1.00 0.00 N ATOM 208 CA ARG A 14 -11.135 4.725 -6.604 1.00 0.00 C ATOM 209 C ARG A 14 -11.937 5.581 -5.603 1.00 0.00 C ATOM 210 O ARG A 14 -11.942 6.810 -5.693 1.00 0.00 O ATOM 211 CB ARG A 14 -12.084 4.100 -7.641 1.00 0.00 C ATOM 212 CG ARG A 14 -11.393 3.722 -8.960 1.00 0.00 C ATOM 213 CD ARG A 14 -12.327 2.843 -9.797 1.00 0.00 C ATOM 214 NE ARG A 14 -11.766 2.526 -11.120 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.313 1.693 -12.004 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.485 1.131 -11.801 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.690 1.387 -13.119 1.00 0.00 N ATOM 0 H ARG A 14 -10.531 2.737 -6.248 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.430 5.378 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.541 3.208 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.891 4.802 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.130 4.622 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.463 3.191 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.527 1.916 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.283 3.351 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.890 2.979 -11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.004 1.329 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.875 0.498 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.774 1.789 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.122 0.747 -13.786 1.00 0.00 H new ATOM 231 N LYS A 15 -12.556 4.946 -4.603 1.00 0.00 N ATOM 232 CA LYS A 15 -13.237 5.570 -3.465 1.00 0.00 C ATOM 233 C LYS A 15 -12.266 6.377 -2.572 1.00 0.00 C ATOM 234 O LYS A 15 -12.596 7.483 -2.143 1.00 0.00 O ATOM 235 CB LYS A 15 -13.924 4.405 -2.729 1.00 0.00 C ATOM 236 CG LYS A 15 -14.492 4.733 -1.347 1.00 0.00 C ATOM 237 CD LYS A 15 -14.928 3.433 -0.656 1.00 0.00 C ATOM 238 CE LYS A 15 -15.220 3.656 0.832 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.337 2.360 1.549 1.00 0.00 N ATOM 0 H LYS A 15 -12.597 3.928 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.967 6.316 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.735 4.032 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.205 3.593 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.741 5.244 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.341 5.411 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.818 3.040 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.146 2.682 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.424 4.252 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.144 4.223 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.365 2.532 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.210 1.878 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.518 1.762 1.321 1.00 0.00 H new ATOM 253 N HIS A 16 -11.051 5.868 -2.348 1.00 0.00 N ATOM 254 CA HIS A 16 -10.002 6.497 -1.526 1.00 0.00 C ATOM 255 C HIS A 16 -9.131 7.537 -2.284 1.00 0.00 C ATOM 256 O HIS A 16 -8.135 8.027 -1.744 1.00 0.00 O ATOM 257 CB HIS A 16 -9.176 5.388 -0.844 1.00 0.00 C ATOM 258 CG HIS A 16 -9.949 4.551 0.156 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.291 4.709 0.525 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.432 3.504 0.860 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.543 3.726 1.403 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.450 2.988 1.628 1.00 0.00 N ATOM 0 H HIS A 16 -10.756 4.976 -2.746 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.489 7.102 -0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.771 4.730 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.327 5.846 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.414 3.147 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.503 3.553 1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.383 2.187 2.256 1.00 0.00 H new ATOM 270 N GLY A 17 -9.504 7.905 -3.521 1.00 0.00 N ATOM 271 CA GLY A 17 -8.918 9.021 -4.280 1.00 0.00 C ATOM 272 C GLY A 17 -7.708 8.658 -5.144 1.00 0.00 C ATOM 273 O GLY A 17 -6.867 9.521 -5.397 1.00 0.00 O ATOM 0 H GLY A 17 -10.241 7.421 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.689 9.446 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.622 9.801 -3.578 1.00 0.00 H new ATOM 277 N PHE A 18 -7.583 7.400 -5.576 1.00 0.00 N ATOM 278 CA PHE A 18 -6.526 6.931 -6.480 1.00 0.00 C ATOM 279 C PHE A 18 -6.966 7.121 -7.944 1.00 0.00 C ATOM 280 O PHE A 18 -8.125 6.879 -8.291 1.00 0.00 O ATOM 281 CB PHE A 18 -6.203 5.462 -6.179 1.00 0.00 C ATOM 282 CG PHE A 18 -5.486 5.193 -4.862 1.00 0.00 C ATOM 283 CD1 PHE A 18 -6.091 5.493 -3.627 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.202 4.617 -4.870 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.403 5.275 -2.426 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.520 4.369 -3.666 1.00 0.00 C ATOM 287 CZ PHE A 18 -4.120 4.699 -2.441 1.00 0.00 C ATOM 0 H PHE A 18 -8.229 6.660 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.621 7.517 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.135 4.897 -6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.589 5.072 -6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.093 5.894 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.736 4.363 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.859 5.550 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.536 3.925 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.599 4.511 -1.514 1.00 0.00 H new ATOM 297 N GLU A 19 -6.043 7.552 -8.807 1.00 0.00 N ATOM 298 CA GLU A 19 -6.327 7.878 -10.211 1.00 0.00 C ATOM 299 C GLU A 19 -6.503 6.615 -11.067 1.00 0.00 C ATOM 300 O GLU A 19 -5.698 5.687 -10.990 1.00 0.00 O ATOM 301 CB GLU A 19 -5.187 8.720 -10.805 1.00 0.00 C ATOM 302 CG GLU A 19 -4.992 10.094 -10.154 1.00 0.00 C ATOM 303 CD GLU A 19 -6.203 11.015 -10.369 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.407 11.490 -11.512 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.952 11.278 -9.399 1.00 0.00 O ATOM 0 H GLU A 19 -5.065 7.687 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.260 8.442 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.257 8.158 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.376 8.862 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.820 9.967 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.101 10.566 -10.567 1.00 0.00 H new ATOM 312 N GLU A 20 -7.513 6.603 -11.943 1.00 0.00 N ATOM 313 CA GLU A 20 -7.812 5.464 -12.824 1.00 0.00 C ATOM 314 C GLU A 20 -6.662 5.100 -13.785 1.00 0.00 C ATOM 315 O GLU A 20 -6.503 3.930 -14.134 1.00 0.00 O ATOM 316 CB GLU A 20 -9.130 5.701 -13.584 1.00 0.00 C ATOM 317 CG GLU A 20 -9.092 6.872 -14.578 1.00 0.00 C ATOM 318 CD GLU A 20 -10.461 7.068 -15.247 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.711 6.459 -16.315 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.292 7.840 -14.716 1.00 0.00 O ATOM 0 H GLU A 20 -8.152 7.389 -12.063 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.929 4.596 -12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.392 4.791 -14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.925 5.881 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.802 7.786 -14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.335 6.684 -15.339 1.00 0.00 H new ATOM 327 N ASN A 21 -5.812 6.067 -14.164 1.00 0.00 N ATOM 328 CA ASN A 21 -4.632 5.821 -15.005 1.00 0.00 C ATOM 329 C ASN A 21 -3.439 5.228 -14.223 1.00 0.00 C ATOM 330 O ASN A 21 -2.554 4.611 -14.821 1.00 0.00 O ATOM 331 CB ASN A 21 -4.252 7.102 -15.772 1.00 0.00 C ATOM 332 CG ASN A 21 -3.433 8.099 -14.954 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.216 8.004 -14.869 1.00 0.00 O ATOM 334 ND2 ASN A 21 -4.061 9.082 -14.335 1.00 0.00 N ATOM 0 H ASN A 21 -5.925 7.044 -13.895 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.902 5.053 -15.730 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.685 6.826 -16.661 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.164 7.592 -16.114 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.532 9.760 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.075 9.163 -14.405 1.00 0.00 H new ATOM 341 N LEU A 22 -3.428 5.374 -12.888 1.00 0.00 N ATOM 342 CA LEU A 22 -2.419 4.797 -11.990 1.00 0.00 C ATOM 343 C LEU A 22 -2.883 3.472 -11.365 1.00 0.00 C ATOM 344 O LEU A 22 -2.049 2.692 -10.913 1.00 0.00 O ATOM 345 CB LEU A 22 -2.069 5.819 -10.889 1.00 0.00 C ATOM 346 CG LEU A 22 -1.556 7.190 -11.372 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.209 8.054 -10.152 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.334 7.092 -12.296 1.00 0.00 C ATOM 0 H LEU A 22 -4.140 5.911 -12.392 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.532 4.572 -12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.957 5.981 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.311 5.379 -10.241 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.355 7.642 -11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.845 9.026 -10.486 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.099 8.191 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.436 7.560 -9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.025 8.093 -12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.484 6.604 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.592 6.509 -13.180 1.00 0.00 H new ATOM 360 N MET A 23 -4.193 3.199 -11.364 1.00 0.00 N ATOM 361 CA MET A 23 -4.841 2.039 -10.734 1.00 0.00 C ATOM 362 C MET A 23 -4.151 0.705 -11.066 1.00 0.00 C ATOM 363 O MET A 23 -3.845 -0.064 -10.153 1.00 0.00 O ATOM 364 CB MET A 23 -6.328 2.057 -11.139 1.00 0.00 C ATOM 365 CG MET A 23 -7.252 1.231 -10.228 1.00 0.00 C ATOM 366 SD MET A 23 -7.229 1.724 -8.492 1.00 0.00 S ATOM 367 CE MET A 23 -7.704 3.459 -8.679 1.00 0.00 C ATOM 0 H MET A 23 -4.865 3.811 -11.826 1.00 0.00 H new ATOM 0 HA MET A 23 -4.751 2.119 -9.651 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.676 3.090 -11.146 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.417 1.683 -12.159 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.273 1.309 -10.601 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.966 0.181 -10.298 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.306 3.766 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.808 4.078 -8.733 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.285 3.581 -9.593 1.00 0.00 H new ATOM 377 N ARG A 24 -3.804 0.464 -12.339 1.00 0.00 N ATOM 378 CA ARG A 24 -3.061 -0.728 -12.786 1.00 0.00 C ATOM 379 C ARG A 24 -1.711 -0.903 -12.068 1.00 0.00 C ATOM 380 O ARG A 24 -1.423 -1.990 -11.568 1.00 0.00 O ATOM 381 CB ARG A 24 -2.847 -0.687 -14.310 1.00 0.00 C ATOM 382 CG ARG A 24 -4.170 -0.658 -15.091 1.00 0.00 C ATOM 383 CD ARG A 24 -3.969 -0.765 -16.607 1.00 0.00 C ATOM 384 NE ARG A 24 -3.558 -2.123 -17.001 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.234 -2.533 -18.221 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.228 -1.715 -19.254 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.909 -3.791 -18.422 1.00 0.00 N ATOM 0 H ARG A 24 -4.035 1.101 -13.101 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.673 -1.591 -12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.258 0.193 -14.567 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.268 -1.558 -14.616 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.803 -1.479 -14.754 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.700 0.267 -14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.895 -0.501 -17.118 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.213 -0.048 -16.927 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.518 -2.822 -16.259 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.477 -0.734 -19.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.974 -2.063 -20.179 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.906 -4.448 -17.642 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.659 -4.110 -19.358 1.00 0.00 H new ATOM 401 N ASN A 25 -0.907 0.161 -11.956 1.00 0.00 N ATOM 402 CA ASN A 25 0.344 0.143 -11.182 1.00 0.00 C ATOM 403 C ASN A 25 0.070 -0.090 -9.690 1.00 0.00 C ATOM 404 O ASN A 25 0.729 -0.927 -9.078 1.00 0.00 O ATOM 405 CB ASN A 25 1.137 1.449 -11.373 1.00 0.00 C ATOM 406 CG ASN A 25 1.891 1.502 -12.693 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.974 0.944 -12.823 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.361 2.182 -13.696 1.00 0.00 N ATOM 0 H ASN A 25 -1.103 1.059 -12.398 1.00 0.00 H new ATOM 0 HA ASN A 25 0.945 -0.685 -11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.451 2.295 -11.319 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.845 1.560 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.854 2.245 -14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.459 2.643 -13.579 1.00 0.00 H new ATOM 415 N TRP A 26 -0.932 0.587 -9.115 1.00 0.00 N ATOM 416 CA TRP A 26 -1.273 0.478 -7.695 1.00 0.00 C ATOM 417 C TRP A 26 -1.752 -0.926 -7.300 1.00 0.00 C ATOM 418 O TRP A 26 -1.210 -1.499 -6.352 1.00 0.00 O ATOM 419 CB TRP A 26 -2.305 1.553 -7.332 1.00 0.00 C ATOM 420 CG TRP A 26 -1.747 2.923 -7.092 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.042 4.042 -7.789 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.846 3.349 -6.022 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.421 5.132 -7.207 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.705 4.768 -6.084 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.163 2.680 -4.985 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.025 5.491 -5.127 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.594 3.389 -4.035 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.679 4.793 -4.096 1.00 0.00 C ATOM 0 H TRP A 26 -1.533 1.231 -9.629 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.363 0.647 -7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.040 1.614 -8.135 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.838 1.234 -6.436 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.668 4.080 -8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.484 6.086 -7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.222 1.604 -4.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.083 6.568 -5.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.113 2.853 -3.254 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.246 5.333 -3.352 1.00 0.00 H new ATOM 439 N VAL A 27 -2.697 -1.525 -8.035 1.00 0.00 N ATOM 440 CA VAL A 27 -3.178 -2.881 -7.699 1.00 0.00 C ATOM 441 C VAL A 27 -2.089 -3.936 -7.897 1.00 0.00 C ATOM 442 O VAL A 27 -2.007 -4.870 -7.110 1.00 0.00 O ATOM 443 CB VAL A 27 -4.474 -3.316 -8.417 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.584 -2.286 -8.190 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.292 -3.609 -9.913 1.00 0.00 C ATOM 0 H VAL A 27 -3.140 -1.106 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.433 -2.812 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.764 -4.266 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.490 -2.608 -8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.784 -2.196 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.269 -1.319 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.247 -3.908 -10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.931 -2.713 -10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.569 -4.414 -10.041 1.00 0.00 H new ATOM 455 N CYS A 28 -1.204 -3.760 -8.886 1.00 0.00 N ATOM 456 CA CYS A 28 -0.095 -4.687 -9.130 1.00 0.00 C ATOM 457 C CYS A 28 0.987 -4.585 -8.043 1.00 0.00 C ATOM 458 O CYS A 28 1.406 -5.604 -7.498 1.00 0.00 O ATOM 459 CB CYS A 28 0.444 -4.419 -10.533 1.00 0.00 C ATOM 460 SG CYS A 28 1.531 -5.721 -11.172 1.00 0.00 S ATOM 0 H CYS A 28 -1.237 -2.975 -9.536 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.449 -5.717 -9.077 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.397 -4.296 -11.216 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.990 -3.476 -10.526 1.00 0.00 H new ATOM 0 HG CYS A 28 1.594 -5.637 -12.468 1.00 0.00 H new ATOM 465 N LEU A 29 1.342 -3.359 -7.640 1.00 0.00 N ATOM 466 CA LEU A 29 2.186 -3.055 -6.479 1.00 0.00 C ATOM 467 C LEU A 29 1.626 -3.728 -5.223 1.00 0.00 C ATOM 468 O LEU A 29 2.327 -4.502 -4.577 1.00 0.00 O ATOM 469 CB LEU A 29 2.274 -1.516 -6.376 1.00 0.00 C ATOM 470 CG LEU A 29 3.098 -0.900 -5.226 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.337 0.576 -5.576 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.396 -0.962 -3.860 1.00 0.00 C ATOM 0 H LEU A 29 1.037 -2.520 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 29 3.195 -3.454 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.685 -1.144 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.257 -1.130 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 29 4.019 -1.475 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.918 1.048 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.883 0.643 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.379 1.086 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.035 -0.510 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.453 -0.418 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.201 -2.002 -3.598 1.00 0.00 H new ATOM 484 N VAL A 30 0.350 -3.489 -4.914 1.00 0.00 N ATOM 485 CA VAL A 30 -0.330 -4.066 -3.743 1.00 0.00 C ATOM 486 C VAL A 30 -0.362 -5.602 -3.798 1.00 0.00 C ATOM 487 O VAL A 30 -0.094 -6.252 -2.787 1.00 0.00 O ATOM 488 CB VAL A 30 -1.750 -3.476 -3.606 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.651 -4.292 -2.670 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.673 -2.027 -3.093 1.00 0.00 C ATOM 0 H VAL A 30 -0.251 -2.883 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 30 0.242 -3.797 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.195 -3.508 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.635 -3.827 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.750 -5.307 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.208 -4.323 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.680 -1.620 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.184 -2.011 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.101 -1.422 -3.796 1.00 0.00 H new ATOM 500 N GLU A 31 -0.641 -6.191 -4.966 1.00 0.00 N ATOM 501 CA GLU A 31 -0.658 -7.648 -5.144 1.00 0.00 C ATOM 502 C GLU A 31 0.714 -8.300 -4.920 1.00 0.00 C ATOM 503 O GLU A 31 0.790 -9.389 -4.350 1.00 0.00 O ATOM 504 CB GLU A 31 -1.185 -8.013 -6.544 1.00 0.00 C ATOM 505 CG GLU A 31 -2.715 -7.947 -6.605 1.00 0.00 C ATOM 506 CD GLU A 31 -3.297 -8.076 -8.016 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.592 -8.473 -8.970 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.517 -7.845 -8.166 1.00 0.00 O ATOM 0 H GLU A 31 -0.862 -5.671 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.328 -8.042 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.761 -7.332 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.853 -9.017 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.126 -8.741 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.043 -7.001 -6.175 1.00 0.00 H new ATOM 515 N HIS A 32 1.804 -7.631 -5.295 1.00 0.00 N ATOM 516 CA HIS A 32 3.167 -8.122 -5.075 1.00 0.00 C ATOM 517 C HIS A 32 3.744 -7.785 -3.681 1.00 0.00 C ATOM 518 O HIS A 32 4.695 -8.439 -3.246 1.00 0.00 O ATOM 519 CB HIS A 32 4.049 -7.593 -6.207 1.00 0.00 C ATOM 520 CG HIS A 32 3.851 -8.338 -7.503 1.00 0.00 C ATOM 521 ND1 HIS A 32 4.063 -9.708 -7.688 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.436 -7.794 -8.681 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.757 -9.950 -8.974 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.369 -8.821 -9.594 1.00 0.00 N ATOM 0 H HIS A 32 1.767 -6.726 -5.764 1.00 0.00 H new ATOM 0 HA HIS A 32 3.143 -9.212 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.834 -6.536 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.095 -7.664 -5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.204 -6.755 -8.863 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.815 -10.920 -9.446 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.077 -8.741 -10.568 1.00 0.00 H new ATOM 532 N GLU A 33 3.168 -6.809 -2.969 1.00 0.00 N ATOM 533 CA GLU A 33 3.548 -6.461 -1.595 1.00 0.00 C ATOM 534 C GLU A 33 2.768 -7.290 -0.556 1.00 0.00 C ATOM 535 O GLU A 33 3.375 -8.049 0.200 1.00 0.00 O ATOM 536 CB GLU A 33 3.381 -4.949 -1.348 1.00 0.00 C ATOM 537 CG GLU A 33 4.442 -4.077 -2.045 1.00 0.00 C ATOM 538 CD GLU A 33 5.880 -4.230 -1.510 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.108 -4.900 -0.477 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.798 -3.664 -2.147 1.00 0.00 O ATOM 0 H GLU A 33 2.413 -6.230 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 33 4.602 -6.710 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.393 -4.643 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.419 -4.761 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.441 -4.315 -3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.147 -3.032 -1.952 1.00 0.00 H new ATOM 547 N SER A 34 1.435 -7.194 -0.507 1.00 0.00 N ATOM 548 CA SER A 34 0.604 -7.864 0.513 1.00 0.00 C ATOM 549 C SER A 34 -0.312 -8.963 -0.043 1.00 0.00 C ATOM 550 O SER A 34 -0.969 -9.662 0.727 1.00 0.00 O ATOM 551 CB SER A 34 -0.285 -6.826 1.209 1.00 0.00 C ATOM 552 OG SER A 34 -1.247 -6.301 0.303 1.00 0.00 O ATOM 0 H SER A 34 0.894 -6.647 -1.176 1.00 0.00 H new ATOM 0 HA SER A 34 1.306 -8.338 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.791 -7.284 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.331 -6.017 1.602 1.00 0.00 H new ATOM 0 HG SER A 34 -1.047 -5.359 0.123 1.00 0.00 H new ATOM 558 N SER A 35 -0.409 -9.090 -1.368 1.00 0.00 N ATOM 559 CA SER A 35 -1.403 -9.932 -2.052 1.00 0.00 C ATOM 560 C SER A 35 -2.855 -9.499 -1.756 1.00 0.00 C ATOM 561 O SER A 35 -3.765 -10.333 -1.741 1.00 0.00 O ATOM 562 CB SER A 35 -1.172 -11.434 -1.807 1.00 0.00 C ATOM 563 OG SER A 35 0.171 -11.835 -2.067 1.00 0.00 O ATOM 0 H SER A 35 0.213 -8.602 -2.012 1.00 0.00 H new ATOM 0 HA SER A 35 -1.253 -9.771 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.424 -11.672 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.847 -12.009 -2.440 1.00 0.00 H new ATOM 0 HG SER A 35 0.265 -12.795 -1.895 1.00 0.00 H new ATOM 569 N ARG A 36 -3.074 -8.190 -1.521 1.00 0.00 N ATOM 570 CA ARG A 36 -4.383 -7.558 -1.290 1.00 0.00 C ATOM 571 C ARG A 36 -4.961 -7.887 0.099 1.00 0.00 C ATOM 572 O ARG A 36 -6.177 -7.898 0.273 1.00 0.00 O ATOM 573 CB ARG A 36 -5.401 -7.866 -2.413 1.00 0.00 C ATOM 574 CG ARG A 36 -4.838 -7.791 -3.842 1.00 0.00 C ATOM 575 CD ARG A 36 -5.944 -7.858 -4.905 1.00 0.00 C ATOM 576 NE ARG A 36 -6.581 -9.186 -4.910 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.547 -10.115 -5.857 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.991 -9.927 -7.035 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.101 -11.283 -5.617 1.00 0.00 N ATOM 0 H ARG A 36 -2.308 -7.517 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.199 -6.484 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.806 -8.865 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.233 -7.167 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.277 -6.864 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.136 -8.611 -3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.693 -7.091 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.524 -7.647 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.119 -9.423 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.557 -9.031 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.994 -10.677 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.546 -11.461 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.086 -12.011 -6.331 1.00 0.00 H new ATOM 593 N ASP A 37 -4.108 -8.142 1.091 1.00 0.00 N ATOM 594 CA ASP A 37 -4.482 -8.556 2.458 1.00 0.00 C ATOM 595 C ASP A 37 -3.983 -7.550 3.505 1.00 0.00 C ATOM 596 O ASP A 37 -2.771 -7.351 3.650 1.00 0.00 O ATOM 597 CB ASP A 37 -3.923 -9.962 2.739 1.00 0.00 C ATOM 598 CG ASP A 37 -4.152 -10.469 4.176 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.015 -9.923 4.903 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.436 -11.424 4.566 1.00 0.00 O ATOM 0 H ASP A 37 -3.098 -8.065 0.968 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.569 -8.581 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.379 -10.666 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.852 -9.960 2.535 1.00 0.00 H new ATOM 605 N THR A 38 -4.910 -6.915 4.241 1.00 0.00 N ATOM 606 CA THR A 38 -4.542 -5.907 5.254 1.00 0.00 C ATOM 607 C THR A 38 -3.840 -6.526 6.457 1.00 0.00 C ATOM 608 O THR A 38 -3.057 -5.842 7.105 1.00 0.00 O ATOM 609 CB THR A 38 -5.712 -5.055 5.762 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.716 -5.840 6.348 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.376 -4.222 4.677 1.00 0.00 C ATOM 0 H THR A 38 -5.913 -7.079 4.156 1.00 0.00 H new ATOM 0 HA THR A 38 -3.860 -5.247 4.717 1.00 0.00 H new ATOM 0 HB THR A 38 -5.256 -4.391 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.353 -5.261 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.194 -3.646 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.644 -3.542 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.767 -4.880 3.901 1.00 0.00 H new ATOM 619 N SER A 39 -4.055 -7.808 6.749 1.00 0.00 N ATOM 620 CA SER A 39 -3.450 -8.495 7.895 1.00 0.00 C ATOM 621 C SER A 39 -1.984 -8.914 7.661 1.00 0.00 C ATOM 622 O SER A 39 -1.340 -9.442 8.571 1.00 0.00 O ATOM 623 CB SER A 39 -4.283 -9.734 8.255 1.00 0.00 C ATOM 624 OG SER A 39 -5.591 -9.398 8.701 1.00 0.00 O ATOM 0 H SER A 39 -4.662 -8.409 6.191 1.00 0.00 H new ATOM 0 HA SER A 39 -3.445 -7.778 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.355 -10.385 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.771 -10.299 9.034 1.00 0.00 H new ATOM 0 HG SER A 39 -6.084 -10.217 8.917 1.00 0.00 H new ATOM 630 N LYS A 40 -1.436 -8.712 6.455 1.00 0.00 N ATOM 631 CA LYS A 40 -0.111 -9.214 6.080 1.00 0.00 C ATOM 632 C LYS A 40 1.040 -8.434 6.751 1.00 0.00 C ATOM 633 O LYS A 40 1.002 -7.201 6.857 1.00 0.00 O ATOM 634 CB LYS A 40 0.007 -9.216 4.542 1.00 0.00 C ATOM 635 CG LYS A 40 1.047 -10.221 4.007 1.00 0.00 C ATOM 636 CD LYS A 40 0.530 -11.670 4.023 1.00 0.00 C ATOM 637 CE LYS A 40 -0.476 -11.903 2.885 1.00 0.00 C ATOM 638 NZ LYS A 40 -1.470 -12.955 3.213 1.00 0.00 N ATOM 0 H LYS A 40 -1.903 -8.194 5.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.012 -10.235 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.967 -9.449 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.274 -8.215 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.321 -9.948 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.953 -10.156 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.367 -12.361 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.057 -11.881 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.997 -10.970 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.062 -12.186 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.810 -13.397 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.025 -13.677 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.272 -12.529 3.720 1.00 0.00 H new ATOM 652 N THR A 41 2.103 -9.158 7.121 1.00 0.00 N ATOM 653 CA THR A 41 3.340 -8.636 7.731 1.00 0.00 C ATOM 654 C THR A 41 4.572 -9.373 7.230 1.00 0.00 C ATOM 655 O THR A 41 4.509 -10.559 6.905 1.00 0.00 O ATOM 656 CB THR A 41 3.321 -8.687 9.270 1.00 0.00 C ATOM 657 OG1 THR A 41 2.778 -9.913 9.716 1.00 0.00 O ATOM 658 CG2 THR A 41 2.532 -7.549 9.916 1.00 0.00 C ATOM 0 H THR A 41 2.129 -10.170 6.999 1.00 0.00 H new ATOM 0 HA THR A 41 3.389 -7.591 7.424 1.00 0.00 H new ATOM 0 HB THR A 41 4.362 -8.582 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.774 -9.932 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.565 -7.653 11.000 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.971 -6.593 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.496 -7.587 9.579 1.00 0.00 H new ATOM 666 N ASN A 42 5.701 -8.666 7.225 1.00 0.00 N ATOM 667 CA ASN A 42 7.020 -9.163 6.823 1.00 0.00 C ATOM 668 C ASN A 42 8.125 -8.505 7.670 1.00 0.00 C ATOM 669 O ASN A 42 8.124 -7.284 7.846 1.00 0.00 O ATOM 670 CB ASN A 42 7.235 -8.875 5.326 1.00 0.00 C ATOM 671 CG ASN A 42 6.490 -9.855 4.424 1.00 0.00 C ATOM 672 OD1 ASN A 42 6.925 -10.982 4.213 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.369 -9.456 3.850 1.00 0.00 N ATOM 0 H ASN A 42 5.725 -7.688 7.513 1.00 0.00 H new ATOM 0 HA ASN A 42 7.068 -10.239 6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.904 -7.860 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.301 -8.919 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.862 -10.086 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.011 -8.518 4.028 1.00 0.00 H new ATOM 680 N THR A 43 9.054 -9.306 8.210 1.00 0.00 N ATOM 681 CA THR A 43 10.101 -8.877 9.163 1.00 0.00 C ATOM 682 C THR A 43 11.456 -8.785 8.464 1.00 0.00 C ATOM 683 O THR A 43 11.758 -9.586 7.579 1.00 0.00 O ATOM 684 CB THR A 43 10.160 -9.844 10.355 1.00 0.00 C ATOM 685 OG1 THR A 43 8.855 -10.020 10.865 1.00 0.00 O ATOM 686 CG2 THR A 43 11.025 -9.310 11.501 1.00 0.00 C ATOM 0 H THR A 43 9.104 -10.301 7.993 1.00 0.00 H new ATOM 0 HA THR A 43 9.850 -7.885 9.539 1.00 0.00 H new ATOM 0 HB THR A 43 10.594 -10.775 9.991 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.882 -10.637 11.626 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.033 -10.032 12.318 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.043 -9.153 11.146 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.615 -8.365 11.856 1.00 0.00 H new ATOM 694 N ASN A 44 12.269 -7.807 8.863 1.00 0.00 N ATOM 695 CA ASN A 44 13.541 -7.438 8.229 1.00 0.00 C ATOM 696 C ASN A 44 14.752 -7.718 9.137 1.00 0.00 C ATOM 697 O ASN A 44 14.627 -7.822 10.361 1.00 0.00 O ATOM 698 CB ASN A 44 13.492 -5.949 7.842 1.00 0.00 C ATOM 699 CG ASN A 44 12.351 -5.639 6.877 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.505 -5.724 5.665 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.187 -5.289 7.391 1.00 0.00 N ATOM 0 H ASN A 44 12.053 -7.223 9.671 1.00 0.00 H new ATOM 0 HA ASN A 44 13.670 -8.055 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.378 -5.345 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.439 -5.663 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.399 -5.085 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.075 -5.223 8.403 1.00 0.00 H new ATOM 708 N ARG A 45 15.950 -7.785 8.539 1.00 0.00 N ATOM 709 CA ARG A 45 17.219 -8.114 9.222 1.00 0.00 C ATOM 710 C ARG A 45 17.609 -7.118 10.329 1.00 0.00 C ATOM 711 O ARG A 45 18.297 -7.487 11.282 1.00 0.00 O ATOM 712 CB ARG A 45 18.365 -8.206 8.195 1.00 0.00 C ATOM 713 CG ARG A 45 18.099 -9.141 7.005 1.00 0.00 C ATOM 714 CD ARG A 45 17.840 -10.597 7.418 1.00 0.00 C ATOM 715 NE ARG A 45 17.644 -11.457 6.237 1.00 0.00 N ATOM 716 CZ ARG A 45 17.374 -12.758 6.246 1.00 0.00 C ATOM 717 NH1 ARG A 45 17.254 -13.440 7.368 1.00 0.00 N ATOM 718 NH2 ARG A 45 17.219 -13.401 5.109 1.00 0.00 N ATOM 0 H ARG A 45 16.071 -7.608 7.542 1.00 0.00 H new ATOM 0 HA ARG A 45 17.055 -9.076 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.571 -7.206 7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.266 -8.543 8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.239 -8.771 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.954 -9.109 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.681 -10.967 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.959 -10.646 8.057 1.00 0.00 H new ATOM 0 HE ARG A 45 17.723 -11.010 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.369 -12.969 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.046 -14.438 7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.306 -12.901 4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.012 -14.400 5.112 1.00 0.00 H new ATOM 732 N ASN A 46 17.139 -5.870 10.229 1.00 0.00 N ATOM 733 CA ASN A 46 17.364 -4.813 11.229 1.00 0.00 C ATOM 734 C ASN A 46 16.415 -4.883 12.451 1.00 0.00 C ATOM 735 O ASN A 46 16.564 -4.092 13.385 1.00 0.00 O ATOM 736 CB ASN A 46 17.246 -3.435 10.551 1.00 0.00 C ATOM 737 CG ASN A 46 18.206 -3.227 9.383 1.00 0.00 C ATOM 738 OD1 ASN A 46 17.790 -2.946 8.266 1.00 0.00 O ATOM 739 ND2 ASN A 46 19.505 -3.312 9.604 1.00 0.00 N ATOM 0 H ASN A 46 16.580 -5.557 9.435 1.00 0.00 H new ATOM 0 HA ASN A 46 18.368 -4.970 11.623 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.224 -3.305 10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.425 -2.660 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.164 -3.143 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.850 -3.546 10.535 1.00 0.00 H new ATOM 746 N GLY A 47 15.423 -5.788 12.450 1.00 0.00 N ATOM 747 CA GLY A 47 14.387 -5.905 13.491 1.00 0.00 C ATOM 748 C GLY A 47 13.140 -5.049 13.239 1.00 0.00 C ATOM 749 O GLY A 47 12.211 -5.068 14.045 1.00 0.00 O ATOM 0 H GLY A 47 15.316 -6.477 11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.086 -6.950 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.819 -5.623 14.451 1.00 0.00 H new ATOM 753 N SER A 48 13.099 -4.306 12.134 1.00 0.00 N ATOM 754 CA SER A 48 11.911 -3.592 11.651 1.00 0.00 C ATOM 755 C SER A 48 10.934 -4.536 10.927 1.00 0.00 C ATOM 756 O SER A 48 11.306 -5.606 10.433 1.00 0.00 O ATOM 757 CB SER A 48 12.341 -2.437 10.733 1.00 0.00 C ATOM 758 OG SER A 48 13.224 -2.876 9.707 1.00 0.00 O ATOM 0 H SER A 48 13.912 -4.179 11.531 1.00 0.00 H new ATOM 0 HA SER A 48 11.381 -3.186 12.513 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.458 -1.983 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.829 -1.664 11.326 1.00 0.00 H new ATOM 0 HG SER A 48 13.474 -2.115 9.143 1.00 0.00 H new ATOM 764 N LYS A 49 9.665 -4.140 10.833 1.00 0.00 N ATOM 765 CA LYS A 49 8.591 -4.923 10.218 1.00 0.00 C ATOM 766 C LYS A 49 7.703 -4.035 9.330 1.00 0.00 C ATOM 767 O LYS A 49 7.532 -2.837 9.574 1.00 0.00 O ATOM 768 CB LYS A 49 7.808 -5.666 11.321 1.00 0.00 C ATOM 769 CG LYS A 49 6.943 -6.831 10.807 1.00 0.00 C ATOM 770 CD LYS A 49 6.105 -7.511 11.898 1.00 0.00 C ATOM 771 CE LYS A 49 6.974 -8.087 13.022 1.00 0.00 C ATOM 772 NZ LYS A 49 6.169 -8.856 14.009 1.00 0.00 N ATOM 0 H LYS A 49 9.346 -3.240 11.192 1.00 0.00 H new ATOM 0 HA LYS A 49 9.011 -5.677 9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.515 -6.050 12.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.166 -4.953 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.276 -6.460 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.591 -7.575 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.403 -6.790 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.513 -8.311 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.738 -8.735 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.493 -7.275 13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.794 -9.228 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.456 -8.232 14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.693 -9.646 13.529 1.00 0.00 H new ATOM 786 N ASP A 50 7.169 -4.643 8.277 1.00 0.00 N ATOM 787 CA ASP A 50 6.261 -4.050 7.302 1.00 0.00 C ATOM 788 C ASP A 50 4.817 -4.488 7.587 1.00 0.00 C ATOM 789 O ASP A 50 4.590 -5.645 7.935 1.00 0.00 O ATOM 790 CB ASP A 50 6.685 -4.495 5.899 1.00 0.00 C ATOM 791 CG ASP A 50 8.159 -4.191 5.594 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.512 -3.001 5.439 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.970 -5.143 5.531 1.00 0.00 O ATOM 0 H ASP A 50 7.370 -5.621 8.069 1.00 0.00 H new ATOM 0 HA ASP A 50 6.306 -2.963 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.512 -5.566 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.057 -3.997 5.160 1.00 0.00 H new ATOM 798 N TYR A 51 3.848 -3.580 7.438 1.00 0.00 N ATOM 799 CA TYR A 51 2.453 -3.755 7.875 1.00 0.00 C ATOM 800 C TYR A 51 1.434 -3.221 6.854 1.00 0.00 C ATOM 801 O TYR A 51 1.697 -2.253 6.135 1.00 0.00 O ATOM 802 CB TYR A 51 2.244 -2.992 9.193 1.00 0.00 C ATOM 803 CG TYR A 51 3.067 -3.443 10.383 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.377 -2.957 10.556 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.492 -4.261 11.375 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.108 -3.286 11.709 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.216 -4.591 12.535 1.00 0.00 C ATOM 808 CZ TYR A 51 4.529 -4.096 12.710 1.00 0.00 C ATOM 809 OH TYR A 51 5.235 -4.394 13.837 1.00 0.00 O ATOM 0 H TYR A 51 4.014 -2.675 6.997 1.00 0.00 H new ATOM 0 HA TYR A 51 2.287 -4.826 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.457 -1.938 9.013 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.190 -3.063 9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.822 -2.328 9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.488 -4.637 11.244 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.116 -2.918 11.830 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.770 -5.221 13.290 1.00 0.00 H new ATOM 0 HH TYR A 51 4.691 -4.960 14.424 1.00 0.00 H new ATOM 819 N GLY A 52 0.236 -3.813 6.816 1.00 0.00 N ATOM 820 CA GLY A 52 -0.893 -3.295 6.033 1.00 0.00 C ATOM 821 C GLY A 52 -0.781 -3.560 4.536 1.00 0.00 C ATOM 822 O GLY A 52 0.185 -4.150 4.052 1.00 0.00 O ATOM 0 H GLY A 52 0.020 -4.668 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.815 -3.743 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.973 -2.220 6.197 1.00 0.00 H new ATOM 826 N LEU A 53 -1.759 -3.085 3.769 1.00 0.00 N ATOM 827 CA LEU A 53 -1.907 -3.458 2.358 1.00 0.00 C ATOM 828 C LEU A 53 -0.760 -3.036 1.430 1.00 0.00 C ATOM 829 O LEU A 53 -0.523 -3.677 0.407 1.00 0.00 O ATOM 830 CB LEU A 53 -3.233 -2.866 1.846 1.00 0.00 C ATOM 831 CG LEU A 53 -3.894 -3.790 0.815 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.810 -4.778 1.520 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.735 -3.011 -0.179 1.00 0.00 C ATOM 0 H LEU A 53 -2.470 -2.434 4.102 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.892 -4.547 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.911 -2.709 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.049 -1.890 1.398 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.093 -4.304 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.277 -5.431 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.228 -5.378 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.583 -4.234 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.186 -3.700 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.520 -2.473 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.103 -2.300 -0.711 1.00 0.00 H new ATOM 845 N PHE A 54 -0.023 -1.994 1.807 1.00 0.00 N ATOM 846 CA PHE A 54 1.123 -1.480 1.057 1.00 0.00 C ATOM 847 C PHE A 54 2.462 -1.922 1.677 1.00 0.00 C ATOM 848 O PHE A 54 3.508 -1.472 1.220 1.00 0.00 O ATOM 849 CB PHE A 54 0.986 0.049 0.945 1.00 0.00 C ATOM 850 CG PHE A 54 -0.268 0.516 0.222 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.489 0.605 0.917 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.225 0.854 -1.144 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.660 1.013 0.257 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.394 1.281 -1.799 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.613 1.359 -1.102 1.00 0.00 C ATOM 0 H PHE A 54 -0.209 -1.471 2.662 1.00 0.00 H new ATOM 0 HA PHE A 54 1.127 -1.903 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.993 0.477 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.859 0.443 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.526 0.357 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.705 0.785 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.595 1.060 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.355 1.551 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.509 1.684 -1.610 1.00 0.00 H new ATOM 865 N GLN A 55 2.436 -2.778 2.713 1.00 0.00 N ATOM 866 CA GLN A 55 3.601 -3.257 3.467 1.00 0.00 C ATOM 867 C GLN A 55 4.492 -2.085 3.923 1.00 0.00 C ATOM 868 O GLN A 55 5.634 -1.913 3.495 1.00 0.00 O ATOM 869 CB GLN A 55 4.360 -4.342 2.677 1.00 0.00 C ATOM 870 CG GLN A 55 3.569 -5.648 2.514 1.00 0.00 C ATOM 871 CD GLN A 55 3.236 -6.313 3.851 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.052 -6.983 4.466 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.039 -6.138 4.365 1.00 0.00 N ATOM 0 H GLN A 55 1.561 -3.171 3.061 1.00 0.00 H new ATOM 0 HA GLN A 55 3.254 -3.737 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.611 -3.953 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.301 -4.557 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.644 -5.442 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.145 -6.342 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.346 -5.582 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.803 -6.559 5.264 1.00 0.00 H new ATOM 882 N ILE A 56 3.923 -1.236 4.779 1.00 0.00 N ATOM 883 CA ILE A 56 4.512 0.020 5.254 1.00 0.00 C ATOM 884 C ILE A 56 5.399 -0.252 6.474 1.00 0.00 C ATOM 885 O ILE A 56 4.973 -0.940 7.399 1.00 0.00 O ATOM 886 CB ILE A 56 3.387 1.035 5.576 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.376 1.113 4.402 1.00 0.00 C ATOM 888 CG2 ILE A 56 4.006 2.402 5.841 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.319 2.217 4.481 1.00 0.00 C ATOM 0 H ILE A 56 3.001 -1.410 5.178 1.00 0.00 H new ATOM 0 HA ILE A 56 5.140 0.453 4.476 1.00 0.00 H new ATOM 0 HB ILE A 56 2.847 0.707 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.937 1.244 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.863 0.154 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.218 3.120 6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.690 2.334 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.553 2.731 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.674 2.167 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.719 2.082 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.810 3.189 4.515 1.00 0.00 H new ATOM 901 N ASN A 57 6.621 0.283 6.487 1.00 0.00 N ATOM 902 CA ASN A 57 7.625 -0.058 7.496 1.00 0.00 C ATOM 903 C ASN A 57 7.580 0.867 8.723 1.00 0.00 C ATOM 904 O ASN A 57 7.480 2.095 8.593 1.00 0.00 O ATOM 905 CB ASN A 57 9.015 -0.012 6.857 1.00 0.00 C ATOM 906 CG ASN A 57 10.045 -0.750 7.700 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.634 -0.188 8.611 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.286 -2.016 7.424 1.00 0.00 N ATOM 0 H ASN A 57 6.942 0.964 5.799 1.00 0.00 H new ATOM 0 HA ASN A 57 7.401 -1.063 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.973 -0.455 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.324 1.026 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.970 -2.536 7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.788 -2.475 6.661 1.00 0.00 H new ATOM 915 N ASP A 58 7.728 0.282 9.913 1.00 0.00 N ATOM 916 CA ASP A 58 7.708 0.999 11.197 1.00 0.00 C ATOM 917 C ASP A 58 8.899 1.949 11.448 1.00 0.00 C ATOM 918 O ASP A 58 8.861 2.774 12.365 1.00 0.00 O ATOM 919 CB ASP A 58 7.564 0.013 12.360 1.00 0.00 C ATOM 920 CG ASP A 58 8.888 -0.648 12.768 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.339 -1.581 12.068 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.464 -0.246 13.804 1.00 0.00 O ATOM 0 H ASP A 58 7.868 -0.723 10.017 1.00 0.00 H new ATOM 0 HA ASP A 58 6.836 1.650 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.148 0.537 13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.850 -0.762 12.083 1.00 0.00 H new ATOM 927 N ARG A 59 9.958 1.851 10.638 1.00 0.00 N ATOM 928 CA ARG A 59 11.115 2.747 10.695 1.00 0.00 C ATOM 929 C ARG A 59 10.919 4.020 9.857 1.00 0.00 C ATOM 930 O ARG A 59 11.475 5.062 10.208 1.00 0.00 O ATOM 931 CB ARG A 59 12.365 1.958 10.267 1.00 0.00 C ATOM 932 CG ARG A 59 13.673 2.744 10.453 1.00 0.00 C ATOM 933 CD ARG A 59 14.913 1.841 10.458 1.00 0.00 C ATOM 934 NE ARG A 59 15.036 1.009 9.245 1.00 0.00 N ATOM 935 CZ ARG A 59 16.014 0.141 9.002 1.00 0.00 C ATOM 936 NH1 ARG A 59 17.044 0.008 9.811 1.00 0.00 N ATOM 937 NH2 ARG A 59 15.976 -0.617 7.928 1.00 0.00 N ATOM 0 H ARG A 59 10.036 1.136 9.914 1.00 0.00 H new ATOM 0 HA ARG A 59 11.240 3.099 11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.419 1.035 10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.266 1.674 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.767 3.478 9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.629 3.298 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.804 2.461 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.877 1.192 11.333 1.00 0.00 H new ATOM 0 HE ARG A 59 14.311 1.108 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.108 0.580 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.778 -0.667 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.194 -0.541 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.728 -1.281 7.746 1.00 0.00 H new ATOM 951 N TYR A 60 10.084 3.984 8.813 1.00 0.00 N ATOM 952 CA TYR A 60 10.022 5.046 7.795 1.00 0.00 C ATOM 953 C TYR A 60 8.703 5.831 7.693 1.00 0.00 C ATOM 954 O TYR A 60 8.753 7.036 7.433 1.00 0.00 O ATOM 955 CB TYR A 60 10.327 4.414 6.428 1.00 0.00 C ATOM 956 CG TYR A 60 11.641 3.656 6.304 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.834 4.165 6.860 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.671 2.433 5.604 1.00 0.00 C ATOM 959 CE1 TYR A 60 14.043 3.455 6.727 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.875 1.718 5.467 1.00 0.00 C ATOM 961 CZ TYR A 60 14.067 2.231 6.021 1.00 0.00 C ATOM 962 OH TYR A 60 15.234 1.547 5.869 1.00 0.00 O ATOM 0 H TYR A 60 9.431 3.219 8.647 1.00 0.00 H new ATOM 0 HA TYR A 60 10.757 5.787 8.110 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.515 3.730 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.318 5.205 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.820 5.105 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.763 2.042 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.950 3.845 7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.887 0.777 4.938 1.00 0.00 H new ATOM 0 HH TYR A 60 15.068 0.727 5.359 1.00 0.00 H new ATOM 972 N TRP A 61 7.541 5.198 7.910 1.00 0.00 N ATOM 973 CA TRP A 61 6.243 5.812 7.572 1.00 0.00 C ATOM 974 C TRP A 61 5.119 5.557 8.591 1.00 0.00 C ATOM 975 O TRP A 61 4.309 6.456 8.817 1.00 0.00 O ATOM 976 CB TRP A 61 5.827 5.318 6.182 1.00 0.00 C ATOM 977 CG TRP A 61 6.817 5.420 5.062 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.380 4.362 4.435 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.294 6.604 4.349 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.205 4.805 3.420 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.157 6.176 3.294 1.00 0.00 C ATOM 982 CE3 TRP A 61 7.020 7.987 4.429 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.717 7.071 2.370 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.546 8.890 3.486 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.400 8.437 2.464 1.00 0.00 C ATOM 0 H TRP A 61 7.470 4.265 8.316 1.00 0.00 H new ATOM 0 HA TRP A 61 6.389 6.892 7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.538 4.271 6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.935 5.870 5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.210 3.326 4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.778 4.194 2.837 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.396 8.359 5.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.382 6.715 1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.292 9.938 3.548 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.811 9.138 1.753 1.00 0.00 H new ATOM 996 N CYS A 62 5.076 4.390 9.245 1.00 0.00 N ATOM 997 CA CYS A 62 4.200 4.125 10.401 1.00 0.00 C ATOM 998 C CYS A 62 4.986 3.966 11.719 1.00 0.00 C ATOM 999 O CYS A 62 6.200 3.804 11.718 1.00 0.00 O ATOM 1000 CB CYS A 62 3.299 2.919 10.103 1.00 0.00 C ATOM 1001 SG CYS A 62 4.132 1.473 9.405 1.00 0.00 S ATOM 0 H CYS A 62 5.654 3.591 8.986 1.00 0.00 H new ATOM 0 HA CYS A 62 3.565 4.997 10.553 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.805 2.620 11.028 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.517 3.234 9.412 1.00 0.00 H new ATOM 0 HG CYS A 62 3.263 0.527 9.202 1.00 0.00 H new ATOM 1006 N SER A 63 4.305 4.060 12.859 1.00 0.00 N ATOM 1007 CA SER A 63 4.872 3.931 14.215 1.00 0.00 C ATOM 1008 C SER A 63 4.483 2.599 14.874 1.00 0.00 C ATOM 1009 O SER A 63 3.310 2.223 14.859 1.00 0.00 O ATOM 1010 CB SER A 63 4.344 5.075 15.093 1.00 0.00 C ATOM 1011 OG SER A 63 4.867 4.995 16.410 1.00 0.00 O ATOM 0 H SER A 63 3.300 4.235 12.872 1.00 0.00 H new ATOM 0 HA SER A 63 5.958 3.969 14.125 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.615 6.033 14.649 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.255 5.037 15.128 1.00 0.00 H new ATOM 0 HG SER A 63 4.208 5.344 17.046 1.00 0.00 H new ATOM 1017 N LYS A 64 5.442 1.896 15.489 1.00 0.00 N ATOM 1018 CA LYS A 64 5.192 0.654 16.247 1.00 0.00 C ATOM 1019 C LYS A 64 4.742 0.865 17.710 1.00 0.00 C ATOM 1020 O LYS A 64 4.404 -0.104 18.395 1.00 0.00 O ATOM 1021 CB LYS A 64 6.450 -0.235 16.209 1.00 0.00 C ATOM 1022 CG LYS A 64 7.700 0.408 16.852 1.00 0.00 C ATOM 1023 CD LYS A 64 8.476 -0.557 17.765 1.00 0.00 C ATOM 1024 CE LYS A 64 8.985 -1.830 17.072 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.125 -1.562 16.157 1.00 0.00 N ATOM 0 H LYS A 64 6.424 2.172 15.477 1.00 0.00 H new ATOM 0 HA LYS A 64 4.351 0.169 15.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.234 -1.173 16.720 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.675 -0.482 15.172 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.363 0.765 16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.395 1.280 17.431 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.328 -0.026 18.190 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.832 -0.845 18.596 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.292 -2.553 17.827 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.170 -2.284 16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.693 -2.426 16.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.763 -1.266 15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.718 -0.806 16.554 1.00 0.00 H new ATOM 1039 N GLY A 65 4.786 2.108 18.206 1.00 0.00 N ATOM 1040 CA GLY A 65 4.610 2.455 19.625 1.00 0.00 C ATOM 1041 C GLY A 65 3.153 2.473 20.095 1.00 0.00 C ATOM 1042 O GLY A 65 2.266 1.899 19.462 1.00 0.00 O ATOM 0 H GLY A 65 4.949 2.924 17.616 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.166 1.741 20.233 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.049 3.437 19.804 1.00 0.00 H new ATOM 1046 N ALA A 66 2.900 3.152 21.217 1.00 0.00 N ATOM 1047 CA ALA A 66 1.559 3.337 21.787 1.00 0.00 C ATOM 1048 C ALA A 66 0.734 4.442 21.087 1.00 0.00 C ATOM 1049 O ALA A 66 -0.471 4.551 21.318 1.00 0.00 O ATOM 1050 CB ALA A 66 1.719 3.613 23.289 1.00 0.00 C ATOM 0 H ALA A 66 3.634 3.598 21.767 1.00 0.00 H new ATOM 0 HA ALA A 66 0.985 2.425 21.624 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.737 3.755 23.740 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.217 2.767 23.763 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.317 4.513 23.432 1.00 0.00 H new ATOM 1056 N SER A 67 1.357 5.221 20.199 1.00 0.00 N ATOM 1057 CA SER A 67 0.764 6.365 19.490 1.00 0.00 C ATOM 1058 C SER A 67 1.344 6.499 18.065 1.00 0.00 C ATOM 1059 O SER A 67 2.496 6.098 17.841 1.00 0.00 O ATOM 1060 CB SER A 67 1.045 7.667 20.264 1.00 0.00 C ATOM 1061 OG SER A 67 0.393 7.693 21.528 1.00 0.00 O ATOM 0 H SER A 67 2.332 5.067 19.941 1.00 0.00 H new ATOM 0 HA SER A 67 -0.310 6.193 19.421 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.120 7.776 20.409 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.715 8.519 19.670 1.00 0.00 H new ATOM 0 HG SER A 67 0.599 8.535 21.985 1.00 0.00 H new ATOM 1067 N PRO A 68 0.590 7.074 17.102 1.00 0.00 N ATOM 1068 CA PRO A 68 1.111 7.446 15.788 1.00 0.00 C ATOM 1069 C PRO A 68 2.135 8.588 15.918 1.00 0.00 C ATOM 1070 O PRO A 68 2.098 9.357 16.881 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.117 7.861 14.974 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.071 8.413 16.029 1.00 0.00 C ATOM 1073 CD PRO A 68 -0.798 7.507 17.229 1.00 0.00 C ATOM 0 HA PRO A 68 1.643 6.629 15.301 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.133 8.613 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.552 7.014 14.443 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.864 9.459 16.255 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.110 8.356 15.706 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.955 8.043 18.165 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.474 6.652 17.234 1.00 0.00 H new ATOM 1081 N GLY A 69 3.062 8.700 14.956 1.00 0.00 N ATOM 1082 CA GLY A 69 4.193 9.636 15.072 1.00 0.00 C ATOM 1083 C GLY A 69 5.280 9.457 14.017 1.00 0.00 C ATOM 1084 O GLY A 69 6.394 9.037 14.329 1.00 0.00 O ATOM 0 H GLY A 69 3.053 8.158 14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.811 10.655 15.011 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.641 9.522 16.059 1.00 0.00 H new ATOM 1088 N LYS A 70 4.945 9.799 12.772 1.00 0.00 N ATOM 1089 CA LYS A 70 5.807 9.756 11.576 1.00 0.00 C ATOM 1090 C LYS A 70 5.385 10.843 10.566 1.00 0.00 C ATOM 1091 O LYS A 70 4.416 11.569 10.792 1.00 0.00 O ATOM 1092 CB LYS A 70 5.708 8.357 10.921 1.00 0.00 C ATOM 1093 CG LYS A 70 6.370 7.193 11.663 1.00 0.00 C ATOM 1094 CD LYS A 70 7.895 7.296 11.788 1.00 0.00 C ATOM 1095 CE LYS A 70 8.444 6.031 12.461 1.00 0.00 C ATOM 1096 NZ LYS A 70 9.922 6.067 12.610 1.00 0.00 N ATOM 0 H LYS A 70 4.008 10.135 12.552 1.00 0.00 H new ATOM 0 HA LYS A 70 6.838 9.946 11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.653 8.118 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.147 8.417 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.941 7.127 12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.123 6.265 11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.343 7.419 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.163 8.176 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.985 5.916 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.162 5.158 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.206 5.454 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.368 5.730 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.228 7.042 12.801 1.00 0.00 H new ATOM 1110 N ASP A 71 6.047 10.889 9.407 1.00 0.00 N ATOM 1111 CA ASP A 71 5.690 11.762 8.272 1.00 0.00 C ATOM 1112 C ASP A 71 4.254 11.527 7.752 1.00 0.00 C ATOM 1113 O ASP A 71 3.626 12.449 7.236 1.00 0.00 O ATOM 1114 CB ASP A 71 6.723 11.554 7.151 1.00 0.00 C ATOM 1115 CG ASP A 71 6.584 12.558 5.996 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.586 13.785 6.246 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.536 12.135 4.820 1.00 0.00 O ATOM 0 H ASP A 71 6.866 10.309 9.222 1.00 0.00 H new ATOM 0 HA ASP A 71 5.709 12.795 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.725 11.633 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.621 10.543 6.757 1.00 0.00 H new ATOM 1122 N CYS A 72 3.710 10.317 7.948 1.00 0.00 N ATOM 1123 CA CYS A 72 2.333 9.941 7.591 1.00 0.00 C ATOM 1124 C CYS A 72 1.353 9.902 8.780 1.00 0.00 C ATOM 1125 O CYS A 72 0.167 9.652 8.573 1.00 0.00 O ATOM 1126 CB CYS A 72 2.368 8.596 6.858 1.00 0.00 C ATOM 1127 SG CYS A 72 3.496 8.551 5.436 1.00 0.00 S ATOM 0 H CYS A 72 4.231 9.550 8.372 1.00 0.00 H new ATOM 0 HA CYS A 72 1.942 10.725 6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.660 7.818 7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.361 8.355 6.516 1.00 0.00 H new ATOM 0 HG CYS A 72 2.853 8.136 4.385 1.00 0.00 H new ATOM 1132 N ASN A 73 1.828 10.138 10.013 1.00 0.00 N ATOM 1133 CA ASN A 73 1.020 10.282 11.233 1.00 0.00 C ATOM 1134 C ASN A 73 0.027 9.115 11.452 1.00 0.00 C ATOM 1135 O ASN A 73 -1.183 9.312 11.582 1.00 0.00 O ATOM 1136 CB ASN A 73 0.369 11.679 11.258 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.268 12.019 12.607 1.00 0.00 C ATOM 1138 OD1 ASN A 73 0.134 11.528 13.656 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.275 12.873 12.619 1.00 0.00 N ATOM 0 H ASN A 73 2.827 10.238 10.194 1.00 0.00 H new ATOM 0 HA ASN A 73 1.681 10.212 12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.123 12.429 11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.392 11.733 10.479 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.719 13.125 13.502 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.608 13.281 11.745 1.00 0.00 H new ATOM 1146 N VAL A 74 0.551 7.885 11.465 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.226 6.637 11.513 1.00 0.00 C ATOM 1148 C VAL A 74 0.565 5.529 12.222 1.00 0.00 C ATOM 1149 O VAL A 74 1.794 5.497 12.177 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.680 6.242 10.087 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.491 5.796 9.194 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.766 5.160 10.115 1.00 0.00 C ATOM 0 H VAL A 74 1.558 7.723 11.442 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.128 6.792 12.105 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.103 7.146 9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.115 5.531 8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.209 6.611 9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.980 4.930 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.058 4.911 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.379 4.269 10.610 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.634 5.530 10.660 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.146 4.634 12.908 1.00 0.00 N ATOM 1163 CA LYS A 75 0.408 3.532 13.704 1.00 0.00 C ATOM 1164 C LYS A 75 0.295 2.188 12.957 1.00 0.00 C ATOM 1165 O LYS A 75 -0.738 1.898 12.354 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.336 3.524 15.054 1.00 0.00 C ATOM 1167 CG LYS A 75 0.546 3.072 16.226 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.204 3.170 17.566 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.010 1.914 17.934 1.00 0.00 C ATOM 1170 NZ LYS A 75 -0.131 0.783 18.338 1.00 0.00 N ATOM 0 H LYS A 75 -1.166 4.655 12.927 1.00 0.00 H new ATOM 0 HA LYS A 75 1.475 3.676 13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.716 4.525 15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.200 2.864 14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.870 2.044 16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.445 3.687 16.265 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.517 3.370 18.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.881 4.024 17.528 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.695 2.149 18.749 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.620 1.612 17.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.625 0.192 19.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.102 0.209 17.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.744 1.156 18.757 1.00 0.00 H new ATOM 1184 N CYS A 76 1.337 1.352 13.002 1.00 0.00 N ATOM 1185 CA CYS A 76 1.432 0.057 12.297 1.00 0.00 C ATOM 1186 C CYS A 76 0.229 -0.876 12.523 1.00 0.00 C ATOM 1187 O CYS A 76 -0.214 -1.552 11.599 1.00 0.00 O ATOM 1188 CB CYS A 76 2.701 -0.658 12.775 1.00 0.00 C ATOM 1189 SG CYS A 76 4.235 0.252 12.526 1.00 0.00 S ATOM 0 H CYS A 76 2.172 1.561 13.549 1.00 0.00 H new ATOM 0 HA CYS A 76 1.453 0.281 11.230 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.596 -0.878 13.837 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.777 -1.614 12.257 1.00 0.00 H new ATOM 0 HG CYS A 76 4.342 0.588 11.275 1.00 0.00 H new ATOM 1194 N SER A 77 -0.322 -0.894 13.737 1.00 0.00 N ATOM 1195 CA SER A 77 -1.470 -1.746 14.093 1.00 0.00 C ATOM 1196 C SER A 77 -2.789 -1.277 13.444 1.00 0.00 C ATOM 1197 O SER A 77 -3.616 -2.099 13.049 1.00 0.00 O ATOM 1198 CB SER A 77 -1.602 -1.807 15.621 1.00 0.00 C ATOM 1199 OG SER A 77 -2.493 -2.836 16.028 1.00 0.00 O ATOM 0 H SER A 77 0.013 -0.317 14.509 1.00 0.00 H new ATOM 0 HA SER A 77 -1.279 -2.744 13.698 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.621 -1.977 16.065 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.959 -0.847 15.995 1.00 0.00 H new ATOM 0 HG SER A 77 -2.553 -2.849 17.006 1.00 0.00 H new ATOM 1205 N ASP A 78 -2.971 0.035 13.236 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.152 0.589 12.557 1.00 0.00 C ATOM 1207 C ASP A 78 -4.157 0.297 11.044 1.00 0.00 C ATOM 1208 O ASP A 78 -5.209 0.368 10.407 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.266 2.095 12.841 1.00 0.00 C ATOM 1210 CG ASP A 78 -4.713 2.368 14.285 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -5.942 2.437 14.525 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -3.840 2.522 15.171 1.00 0.00 O ATOM 0 H ASP A 78 -2.301 0.744 13.535 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.031 0.088 12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.303 2.573 12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.979 2.543 12.148 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.015 -0.113 10.477 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.912 -0.569 9.087 1.00 0.00 C ATOM 1219 C LEU A 79 -3.471 -1.989 8.885 1.00 0.00 C ATOM 1220 O LEU A 79 -3.708 -2.391 7.745 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.449 -0.500 8.607 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.690 0.814 8.875 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.684 0.730 8.203 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.437 2.038 8.340 1.00 0.00 C ATOM 0 H LEU A 79 -2.127 -0.137 10.978 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.525 0.104 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.898 -1.313 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.435 -0.687 7.533 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.596 0.935 9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.234 1.653 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.241 -0.111 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.556 0.588 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.861 2.938 8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.571 1.940 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.412 2.108 8.822 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.704 -2.735 9.975 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.201 -4.119 9.971 1.00 0.00 C ATOM 1238 C LEU A 80 -5.737 -4.203 10.111 1.00 0.00 C ATOM 1239 O LEU A 80 -6.282 -5.287 10.341 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.484 -4.935 11.068 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.942 -4.860 11.067 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.401 -5.699 12.233 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.319 -5.336 9.746 1.00 0.00 C ATOM 0 H LEU A 80 -3.546 -2.378 10.917 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.969 -4.552 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.844 -4.596 12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.777 -5.980 10.966 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.663 -3.813 11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.312 -5.652 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.788 -5.307 13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.719 -6.735 12.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.233 -5.259 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.600 -6.373 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.681 -4.713 8.928 1.00 0.00 H new ATOM 1255 N THR A 81 -6.435 -3.063 10.013 1.00 0.00 N ATOM 1256 CA THR A 81 -7.899 -2.936 10.136 1.00 0.00 C ATOM 1257 C THR A 81 -8.629 -3.434 8.884 1.00 0.00 C ATOM 1258 O THR A 81 -8.014 -3.834 7.896 1.00 0.00 O ATOM 1259 CB THR A 81 -8.292 -1.493 10.501 1.00 0.00 C ATOM 1260 OG1 THR A 81 -7.752 -0.579 9.575 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.824 -1.118 11.910 1.00 0.00 C ATOM 0 H THR A 81 -5.980 -2.167 9.839 1.00 0.00 H new ATOM 0 HA THR A 81 -8.220 -3.583 10.952 1.00 0.00 H new ATOM 0 HB THR A 81 -9.380 -1.443 10.471 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.877 -0.271 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.120 -0.092 12.131 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.280 -1.791 12.636 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.739 -1.203 11.968 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.961 -3.459 8.941 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.837 -4.023 7.898 1.00 0.00 C ATOM 1271 C ASP A 82 -11.238 -3.009 6.804 1.00 0.00 C ATOM 1272 O ASP A 82 -12.062 -3.308 5.939 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.065 -4.667 8.563 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.696 -5.693 9.648 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.900 -6.618 9.364 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.201 -5.564 10.788 1.00 0.00 O ATOM 0 H ASP A 82 -10.480 -3.079 9.732 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.267 -4.785 7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.683 -3.885 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.669 -5.156 7.799 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.634 -1.820 6.824 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.686 -0.813 5.762 1.00 0.00 C ATOM 1283 C ASP A 83 -9.254 -0.334 5.498 1.00 0.00 C ATOM 1284 O ASP A 83 -8.533 0.084 6.405 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.625 0.352 6.124 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.898 1.300 4.936 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.961 1.596 4.155 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -13.059 1.757 4.800 1.00 0.00 O ATOM 0 H ASP A 83 -10.069 -1.518 7.618 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.100 -1.252 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.571 -0.050 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.188 0.922 6.944 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.838 -0.412 4.235 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.467 -0.147 3.784 1.00 0.00 C ATOM 1295 C ILE A 84 -7.038 1.321 3.962 1.00 0.00 C ATOM 1296 O ILE A 84 -5.853 1.618 3.815 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.307 -0.621 2.316 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -8.003 0.349 1.340 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.872 -2.043 2.127 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.763 0.056 -0.139 1.00 0.00 C ATOM 0 H ILE A 84 -9.463 -0.669 3.471 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.793 -0.717 4.423 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.240 -0.635 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.076 0.325 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.664 1.362 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.746 -2.349 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.338 -2.736 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.932 -2.050 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.292 0.791 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.695 0.111 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.130 -0.943 -0.376 1.00 0.00 H new ATOM 1312 N THR A 85 -7.980 2.236 4.245 1.00 0.00 N ATOM 1313 CA THR A 85 -7.798 3.700 4.234 1.00 0.00 C ATOM 1314 C THR A 85 -6.642 4.206 5.092 1.00 0.00 C ATOM 1315 O THR A 85 -5.937 5.115 4.664 1.00 0.00 O ATOM 1316 CB THR A 85 -9.125 4.389 4.571 1.00 0.00 C ATOM 1317 OG1 THR A 85 -9.009 5.777 4.378 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.600 4.142 5.997 1.00 0.00 C ATOM 0 H THR A 85 -8.930 1.966 4.499 1.00 0.00 H new ATOM 0 HA THR A 85 -7.501 3.971 3.221 1.00 0.00 H new ATOM 0 HB THR A 85 -9.864 3.953 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.854 6.130 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.544 4.661 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.742 3.073 6.153 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.854 4.515 6.699 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.361 3.586 6.243 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.210 3.965 7.080 1.00 0.00 C ATOM 1328 C LYS A 86 -3.867 3.733 6.363 1.00 0.00 C ATOM 1329 O LYS A 86 -2.932 4.522 6.511 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.248 3.194 8.414 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.522 3.378 9.255 1.00 0.00 C ATOM 1332 CD LYS A 86 -6.833 4.844 9.593 1.00 0.00 C ATOM 1333 CE LYS A 86 -7.897 4.972 10.695 1.00 0.00 C ATOM 1334 NZ LYS A 86 -9.230 4.459 10.280 1.00 0.00 N ATOM 0 H LYS A 86 -6.915 2.817 6.620 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.288 5.034 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.125 2.132 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.391 3.501 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.368 2.952 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.419 2.815 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.919 5.343 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.178 5.357 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.564 4.428 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.990 6.019 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.905 4.572 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.566 4.994 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.153 3.452 10.032 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.787 2.680 5.544 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.626 2.359 4.719 1.00 0.00 C ATOM 1350 C ALA A 87 -2.645 3.143 3.400 1.00 0.00 C ATOM 1351 O ALA A 87 -1.612 3.660 2.986 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.599 0.836 4.515 1.00 0.00 C ATOM 0 H ALA A 87 -4.550 2.012 5.436 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.705 2.662 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.740 0.566 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.523 0.341 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.515 0.519 4.017 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.817 3.307 2.781 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.983 4.007 1.509 1.00 0.00 C ATOM 1360 C ALA A 88 -3.684 5.513 1.595 1.00 0.00 C ATOM 1361 O ALA A 88 -2.998 6.050 0.731 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.399 3.735 0.998 1.00 0.00 C ATOM 0 H ALA A 88 -4.694 2.949 3.160 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.247 3.623 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.548 4.248 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.535 2.663 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.125 4.100 1.725 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.117 6.201 2.654 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.798 7.623 2.878 1.00 0.00 C ATOM 1370 C LYS A 89 -2.309 7.847 3.186 1.00 0.00 C ATOM 1371 O LYS A 89 -1.716 8.831 2.741 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.679 8.149 4.018 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.131 8.349 3.556 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.069 8.566 4.748 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.477 8.907 4.241 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.515 8.588 5.254 1.00 0.00 N ATOM 0 H LYS A 89 -4.700 5.792 3.384 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.004 8.174 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.654 7.448 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.278 9.094 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.187 9.207 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.457 7.478 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.102 7.669 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.693 9.373 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.527 9.966 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.679 8.352 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.435 8.954 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.576 7.557 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.262 9.030 6.161 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.678 6.894 3.879 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.227 6.865 4.082 1.00 0.00 C ATOM 1392 C CYS A 90 0.511 6.607 2.759 1.00 0.00 C ATOM 1393 O CYS A 90 1.487 7.290 2.458 1.00 0.00 O ATOM 1394 CB CYS A 90 0.082 5.830 5.169 1.00 0.00 C ATOM 1395 SG CYS A 90 1.831 5.574 5.548 1.00 0.00 S ATOM 0 H CYS A 90 -2.165 6.113 4.319 1.00 0.00 H new ATOM 0 HA CYS A 90 0.136 7.834 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.427 6.131 6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.347 4.875 4.865 1.00 0.00 H new ATOM 0 HG CYS A 90 2.476 6.693 5.398 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.018 5.728 1.903 1.00 0.00 N ATOM 1401 CA ALA A 91 0.484 5.497 0.552 1.00 0.00 C ATOM 1402 C ALA A 91 0.433 6.761 -0.326 1.00 0.00 C ATOM 1403 O ALA A 91 1.388 6.996 -1.062 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.269 4.314 -0.062 1.00 0.00 C ATOM 0 H ALA A 91 -0.823 5.147 2.138 1.00 0.00 H new ATOM 0 HA ALA A 91 1.543 5.245 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.099 4.133 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.108 3.425 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.335 4.541 -0.099 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.576 7.640 -0.197 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.546 8.956 -0.859 1.00 0.00 C ATOM 1412 C LYS A 92 0.587 9.857 -0.337 1.00 0.00 C ATOM 1413 O LYS A 92 1.305 10.465 -1.131 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.890 9.694 -0.732 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.161 8.905 -1.070 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.118 8.100 -2.380 1.00 0.00 C ATOM 1417 CE LYS A 92 -4.363 8.307 -3.254 1.00 0.00 C ATOM 1418 NZ LYS A 92 -4.421 9.670 -3.849 1.00 0.00 N ATOM 0 H LYS A 92 -1.416 7.465 0.355 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.355 8.748 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.980 10.056 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.856 10.571 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.369 8.218 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.997 9.603 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.232 8.386 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.018 7.040 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.370 7.565 -4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.257 8.138 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.270 9.754 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.459 10.379 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.574 9.831 -4.431 1.00 0.00 H new ATOM 1432 N LYS A 93 0.796 9.917 0.985 1.00 0.00 N ATOM 1433 CA LYS A 93 1.889 10.692 1.599 1.00 0.00 C ATOM 1434 C LYS A 93 3.284 10.131 1.254 1.00 0.00 C ATOM 1435 O LYS A 93 4.258 10.882 1.209 1.00 0.00 O ATOM 1436 CB LYS A 93 1.636 10.790 3.114 1.00 0.00 C ATOM 1437 CG LYS A 93 2.637 11.662 3.894 1.00 0.00 C ATOM 1438 CD LYS A 93 2.746 13.109 3.392 1.00 0.00 C ATOM 1439 CE LYS A 93 3.611 13.920 4.364 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.734 15.344 3.954 1.00 0.00 N ATOM 0 H LYS A 93 0.211 9.429 1.663 1.00 0.00 H new ATOM 0 HA LYS A 93 1.891 11.698 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.633 11.186 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.651 9.784 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.346 11.676 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.622 11.198 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.185 13.128 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.754 13.554 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.178 13.868 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.604 13.474 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.327 15.853 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.171 15.397 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.790 15.779 3.923 1.00 0.00 H new ATOM 1454 N ILE A 94 3.379 8.841 0.928 1.00 0.00 N ATOM 1455 CA ILE A 94 4.588 8.244 0.340 1.00 0.00 C ATOM 1456 C ILE A 94 4.719 8.660 -1.131 1.00 0.00 C ATOM 1457 O ILE A 94 5.771 9.148 -1.525 1.00 0.00 O ATOM 1458 CB ILE A 94 4.594 6.711 0.509 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.656 6.312 1.999 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.814 6.153 -0.243 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.343 4.837 2.277 1.00 0.00 C ATOM 0 H ILE A 94 2.619 8.175 1.063 1.00 0.00 H new ATOM 0 HA ILE A 94 5.460 8.621 0.875 1.00 0.00 H new ATOM 0 HB ILE A 94 3.672 6.297 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.652 6.537 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.953 6.931 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.841 5.068 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.741 6.414 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.726 6.580 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.410 4.646 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.336 4.607 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.061 4.207 1.751 1.00 0.00 H new ATOM 1473 N TYR A 95 3.661 8.533 -1.936 1.00 0.00 N ATOM 1474 CA TYR A 95 3.647 8.886 -3.366 1.00 0.00 C ATOM 1475 C TYR A 95 4.038 10.352 -3.646 1.00 0.00 C ATOM 1476 O TYR A 95 4.684 10.645 -4.652 1.00 0.00 O ATOM 1477 CB TYR A 95 2.288 8.480 -3.969 1.00 0.00 C ATOM 1478 CG TYR A 95 1.758 9.292 -5.139 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.191 10.563 -4.915 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.771 8.759 -6.443 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.686 11.317 -5.991 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.271 9.507 -7.526 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.730 10.794 -7.303 1.00 0.00 C ATOM 1484 OH TYR A 95 0.243 11.528 -8.342 1.00 0.00 O ATOM 0 H TYR A 95 2.765 8.173 -1.607 1.00 0.00 H new ATOM 0 HA TYR A 95 4.430 8.320 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.361 7.441 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.545 8.516 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.144 10.961 -3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.168 7.769 -6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.265 12.296 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.301 9.098 -8.525 1.00 0.00 H new ATOM 0 HH TYR A 95 0.350 11.025 -9.176 1.00 0.00 H new ATOM 1494 N LYS A 96 3.742 11.256 -2.707 1.00 0.00 N ATOM 1495 CA LYS A 96 4.210 12.650 -2.673 1.00 0.00 C ATOM 1496 C LYS A 96 5.747 12.808 -2.703 1.00 0.00 C ATOM 1497 O LYS A 96 6.248 13.836 -3.167 1.00 0.00 O ATOM 1498 CB LYS A 96 3.657 13.267 -1.377 1.00 0.00 C ATOM 1499 CG LYS A 96 2.181 13.696 -1.459 1.00 0.00 C ATOM 1500 CD LYS A 96 1.978 14.975 -2.284 1.00 0.00 C ATOM 1501 CE LYS A 96 0.496 15.377 -2.269 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.254 16.624 -3.043 1.00 0.00 N ATOM 0 H LYS A 96 3.143 11.028 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 96 3.853 13.150 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.769 12.545 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.262 14.135 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.597 12.888 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.797 13.854 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.587 15.782 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.309 14.813 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.104 14.568 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.168 15.519 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.758 16.863 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.807 17.402 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.543 16.481 -4.032 1.00 0.00 H new ATOM 1516 N ARG A 97 6.483 11.800 -2.223 1.00 0.00 N ATOM 1517 CA ARG A 97 7.953 11.748 -2.152 1.00 0.00 C ATOM 1518 C ARG A 97 8.549 10.723 -3.135 1.00 0.00 C ATOM 1519 O ARG A 97 9.615 10.957 -3.705 1.00 0.00 O ATOM 1520 CB ARG A 97 8.384 11.452 -0.716 1.00 0.00 C ATOM 1521 CG ARG A 97 7.896 12.558 0.237 1.00 0.00 C ATOM 1522 CD ARG A 97 8.657 12.440 1.553 1.00 0.00 C ATOM 1523 NE ARG A 97 8.053 13.228 2.644 1.00 0.00 N ATOM 1524 CZ ARG A 97 8.199 14.529 2.866 1.00 0.00 C ATOM 1525 NH1 ARG A 97 8.858 15.315 2.039 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.680 15.066 3.947 1.00 0.00 N ATOM 0 H ARG A 97 6.050 10.953 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 97 8.342 12.721 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.981 10.490 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.470 11.375 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.060 13.540 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.824 12.462 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.698 11.392 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.685 12.769 1.402 1.00 0.00 H new ATOM 0 HE ARG A 97 7.459 12.719 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.278 14.928 1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.949 16.310 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.168 14.484 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.789 16.065 4.123 1.00 0.00 H new ATOM 1540 N HIS A 98 7.835 9.617 -3.366 1.00 0.00 N ATOM 1541 CA HIS A 98 8.227 8.441 -4.155 1.00 0.00 C ATOM 1542 C HIS A 98 6.976 7.745 -4.744 1.00 0.00 C ATOM 1543 O HIS A 98 6.425 6.830 -4.124 1.00 0.00 O ATOM 1544 CB HIS A 98 9.005 7.479 -3.234 1.00 0.00 C ATOM 1545 CG HIS A 98 10.340 7.985 -2.758 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.499 8.073 -3.533 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.618 8.409 -1.491 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.445 8.557 -2.712 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.947 8.770 -1.480 1.00 0.00 N ATOM 0 H HIS A 98 6.898 9.511 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 98 8.859 8.743 -4.990 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.388 7.256 -2.364 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.159 6.539 -3.764 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.930 8.453 -0.659 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.468 8.749 -3.001 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.463 9.135 -0.679 1.00 0.00 H new ATOM 1557 N ARG A 99 6.505 8.178 -5.926 1.00 0.00 N ATOM 1558 CA ARG A 99 5.217 7.775 -6.525 1.00 0.00 C ATOM 1559 C ARG A 99 4.963 6.259 -6.555 1.00 0.00 C ATOM 1560 O ARG A 99 3.878 5.820 -6.181 1.00 0.00 O ATOM 1561 CB ARG A 99 5.021 8.424 -7.887 1.00 0.00 C ATOM 1562 CG ARG A 99 6.056 8.054 -8.951 1.00 0.00 C ATOM 1563 CD ARG A 99 5.663 8.867 -10.173 1.00 0.00 C ATOM 1564 NE ARG A 99 6.539 8.588 -11.323 1.00 0.00 N ATOM 1565 CZ ARG A 99 6.374 9.029 -12.565 1.00 0.00 C ATOM 1566 NH1 ARG A 99 5.364 9.805 -12.903 1.00 0.00 N ATOM 1567 NH2 ARG A 99 7.238 8.690 -13.498 1.00 0.00 N ATOM 0 H ARG A 99 7.023 8.836 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 99 4.450 8.155 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.032 8.155 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.030 9.506 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.066 8.297 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.039 6.985 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.630 8.644 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.707 9.929 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 99 7.353 7.998 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.679 10.085 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.267 10.126 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.030 8.091 -13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.115 9.026 -14.453 1.00 0.00 H new ATOM 1581 N PHE A 100 5.989 5.479 -6.903 1.00 0.00 N ATOM 1582 CA PHE A 100 6.019 4.015 -6.787 1.00 0.00 C ATOM 1583 C PHE A 100 7.388 3.480 -6.305 1.00 0.00 C ATOM 1584 O PHE A 100 7.547 2.285 -6.064 1.00 0.00 O ATOM 1585 CB PHE A 100 5.664 3.384 -8.139 1.00 0.00 C ATOM 1586 CG PHE A 100 4.337 3.795 -8.744 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.137 3.438 -8.102 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.295 4.512 -9.955 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.903 3.804 -8.659 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.057 4.877 -10.514 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.861 4.524 -9.865 1.00 0.00 C ATOM 0 H PHE A 100 6.853 5.861 -7.287 1.00 0.00 H new ATOM 0 HA PHE A 100 5.283 3.737 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.454 3.629 -8.849 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.666 2.300 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.166 2.880 -7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.214 4.782 -10.455 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.984 3.532 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.025 5.429 -11.442 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.910 4.806 -10.293 1.00 0.00 H new ATOM 1601 N ASP A 101 8.379 4.363 -6.142 1.00 0.00 N ATOM 1602 CA ASP A 101 9.798 4.050 -5.934 1.00 0.00 C ATOM 1603 C ASP A 101 10.125 3.519 -4.526 1.00 0.00 C ATOM 1604 O ASP A 101 11.214 2.989 -4.306 1.00 0.00 O ATOM 1605 CB ASP A 101 10.641 5.309 -6.229 1.00 0.00 C ATOM 1606 CG ASP A 101 10.139 6.143 -7.421 1.00 0.00 C ATOM 1607 OD1 ASP A 101 9.093 6.824 -7.263 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.785 6.115 -8.496 1.00 0.00 O ATOM 0 H ASP A 101 8.204 5.368 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 101 10.044 3.241 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.655 5.939 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.670 5.006 -6.421 1.00 0.00 H new ATOM 1613 N ALA A 102 9.188 3.637 -3.581 1.00 0.00 N ATOM 1614 CA ALA A 102 9.314 3.119 -2.218 1.00 0.00 C ATOM 1615 C ALA A 102 8.997 1.612 -2.098 1.00 0.00 C ATOM 1616 O ALA A 102 9.225 1.026 -1.036 1.00 0.00 O ATOM 1617 CB ALA A 102 8.410 3.964 -1.310 1.00 0.00 C ATOM 0 H ALA A 102 8.299 4.108 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 102 10.356 3.203 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.483 3.601 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.727 5.006 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.377 3.886 -1.650 1.00 0.00 H new ATOM 1623 N TRP A 103 8.493 0.981 -3.168 1.00 0.00 N ATOM 1624 CA TRP A 103 7.977 -0.391 -3.157 1.00 0.00 C ATOM 1625 C TRP A 103 8.734 -1.331 -4.102 1.00 0.00 C ATOM 1626 O TRP A 103 8.727 -1.177 -5.324 1.00 0.00 O ATOM 1627 CB TRP A 103 6.485 -0.348 -3.486 1.00 0.00 C ATOM 1628 CG TRP A 103 5.646 0.297 -2.429 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.238 -0.308 -1.295 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.092 1.648 -2.374 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.437 0.548 -0.571 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.270 1.757 -1.212 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.180 2.784 -3.204 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.513 2.906 -0.932 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.436 3.945 -2.931 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.585 3.999 -1.812 1.00 0.00 C ATOM 0 H TRP A 103 8.432 1.423 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 103 8.132 -0.807 -2.162 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.346 0.190 -4.424 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.130 -1.366 -3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.500 -1.313 -0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.019 0.315 0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.831 2.762 -4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.885 2.949 -0.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.518 4.801 -3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 103 2.987 4.880 -1.630 1.00 0.00 H new ATOM 1647 N TYR A 104 9.355 -2.353 -3.513 1.00 0.00 N ATOM 1648 CA TYR A 104 10.091 -3.432 -4.191 1.00 0.00 C ATOM 1649 C TYR A 104 9.180 -4.281 -5.077 1.00 0.00 C ATOM 1650 O TYR A 104 9.580 -4.714 -6.160 1.00 0.00 O ATOM 1651 CB TYR A 104 10.761 -4.342 -3.155 1.00 0.00 C ATOM 1652 CG TYR A 104 11.120 -3.631 -1.876 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.208 -2.740 -1.844 1.00 0.00 C ATOM 1654 CD2 TYR A 104 10.261 -3.763 -0.771 1.00 0.00 C ATOM 1655 CE1 TYR A 104 12.487 -2.030 -0.661 1.00 0.00 C ATOM 1656 CE2 TYR A 104 10.534 -3.054 0.414 1.00 0.00 C ATOM 1657 CZ TYR A 104 11.658 -2.194 0.475 1.00 0.00 C ATOM 1658 OH TYR A 104 11.930 -1.500 1.616 1.00 0.00 O ATOM 0 H TYR A 104 9.361 -2.461 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 104 10.841 -2.959 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 104 10.093 -5.172 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.664 -4.771 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.824 -2.602 -2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.395 -4.406 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.333 -1.360 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.889 -3.165 1.273 1.00 0.00 H new ATOM 0 HH TYR A 104 11.266 -1.724 2.301 1.00 0.00 H new ATOM 1668 N GLY A 105 7.938 -4.470 -4.625 1.00 0.00 N ATOM 1669 CA GLY A 105 6.903 -5.240 -5.299 1.00 0.00 C ATOM 1670 C GLY A 105 6.434 -4.590 -6.608 1.00 0.00 C ATOM 1671 O GLY A 105 5.865 -5.269 -7.457 1.00 0.00 O ATOM 0 H GLY A 105 7.618 -4.072 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.281 -6.240 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.050 -5.356 -4.631 1.00 0.00 H new ATOM 1675 N TRP A 106 6.728 -3.300 -6.809 1.00 0.00 N ATOM 1676 CA TRP A 106 6.514 -2.593 -8.073 1.00 0.00 C ATOM 1677 C TRP A 106 7.776 -2.575 -8.960 1.00 0.00 C ATOM 1678 O TRP A 106 7.699 -2.912 -10.144 1.00 0.00 O ATOM 1679 CB TRP A 106 5.981 -1.190 -7.758 1.00 0.00 C ATOM 1680 CG TRP A 106 5.871 -0.273 -8.934 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.780 -0.061 -9.704 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.920 0.563 -9.498 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.104 0.793 -10.742 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.419 1.207 -10.665 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.247 0.837 -9.120 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.225 2.047 -11.449 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.077 1.646 -9.911 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.568 2.256 -11.075 1.00 0.00 C ATOM 0 H TRP A 106 7.129 -2.708 -6.082 1.00 0.00 H new ATOM 0 HA TRP A 106 5.772 -3.127 -8.667 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.997 -1.287 -7.300 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.634 -0.728 -7.017 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.805 -0.493 -9.534 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.453 1.081 -11.473 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.634 0.417 -8.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.821 2.527 -12.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.107 1.801 -9.627 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.206 2.883 -11.680 1.00 0.00 H new ATOM 1699 N LYS A 107 8.954 -2.238 -8.417 1.00 0.00 N ATOM 1700 CA LYS A 107 10.191 -2.079 -9.216 1.00 0.00 C ATOM 1701 C LYS A 107 10.771 -3.402 -9.766 1.00 0.00 C ATOM 1702 O LYS A 107 11.545 -3.372 -10.723 1.00 0.00 O ATOM 1703 CB LYS A 107 11.238 -1.239 -8.453 1.00 0.00 C ATOM 1704 CG LYS A 107 11.687 -1.878 -7.146 1.00 0.00 C ATOM 1705 CD LYS A 107 12.739 -1.064 -6.379 1.00 0.00 C ATOM 1706 CE LYS A 107 12.149 0.246 -5.838 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.137 1.010 -5.034 1.00 0.00 N ATOM 0 H LYS A 107 9.083 -2.068 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 107 9.903 -1.526 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.108 -1.087 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.821 -0.254 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.816 -2.021 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.092 -2.867 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.129 -1.658 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.580 -0.842 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.806 0.860 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.276 0.024 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.675 1.844 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.509 0.405 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.920 1.317 -5.646 1.00 0.00 H new ATOM 1721 N ASN A 108 10.363 -4.554 -9.218 1.00 0.00 N ATOM 1722 CA ASN A 108 10.768 -5.889 -9.691 1.00 0.00 C ATOM 1723 C ASN A 108 9.737 -6.590 -10.608 1.00 0.00 C ATOM 1724 O ASN A 108 10.060 -7.633 -11.177 1.00 0.00 O ATOM 1725 CB ASN A 108 11.110 -6.771 -8.478 1.00 0.00 C ATOM 1726 CG ASN A 108 12.393 -6.323 -7.784 1.00 0.00 C ATOM 1727 OD1 ASN A 108 13.497 -6.558 -8.262 1.00 0.00 O ATOM 1728 ND2 ASN A 108 12.288 -5.670 -6.641 1.00 0.00 N ATOM 0 H ASN A 108 9.730 -4.587 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 108 11.645 -5.743 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.285 -6.743 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.216 -7.806 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.128 -5.359 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 108 11.367 -5.477 -6.247 1.00 0.00 H new ATOM 1735 N HIS A 109 8.521 -6.045 -10.776 1.00 0.00 N ATOM 1736 CA HIS A 109 7.409 -6.748 -11.455 1.00 0.00 C ATOM 1737 C HIS A 109 6.577 -5.883 -12.426 1.00 0.00 C ATOM 1738 O HIS A 109 6.245 -6.332 -13.524 1.00 0.00 O ATOM 1739 CB HIS A 109 6.491 -7.368 -10.390 1.00 0.00 C ATOM 1740 CG HIS A 109 7.161 -8.388 -9.506 1.00 0.00 C ATOM 1741 ND1 HIS A 109 7.400 -9.721 -9.850 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.634 -8.162 -8.246 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.010 -10.264 -8.783 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.164 -9.353 -7.804 1.00 0.00 N ATOM 0 H HIS A 109 8.277 -5.110 -10.449 1.00 0.00 H new ATOM 0 HA HIS A 109 7.873 -7.508 -12.084 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.091 -6.570 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.643 -7.838 -10.888 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.599 -7.230 -7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.333 -11.293 -8.719 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.597 -9.516 -6.895 1.00 0.00 H new ATOM 1752 N CYS A 110 6.287 -4.624 -12.076 1.00 0.00 N ATOM 1753 CA CYS A 110 5.439 -3.713 -12.872 1.00 0.00 C ATOM 1754 C CYS A 110 6.138 -3.108 -14.105 1.00 0.00 C ATOM 1755 O CYS A 110 5.523 -2.350 -14.855 1.00 0.00 O ATOM 1756 CB CYS A 110 4.914 -2.608 -11.947 1.00 0.00 C ATOM 1757 SG CYS A 110 3.852 -3.204 -10.608 1.00 0.00 S ATOM 0 H CYS A 110 6.638 -4.198 -11.219 1.00 0.00 H new ATOM 0 HA CYS A 110 4.621 -4.306 -13.280 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.763 -2.078 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.357 -1.885 -12.543 1.00 0.00 H new ATOM 0 HG CYS A 110 3.070 -4.140 -11.058 1.00 0.00 H new ATOM 1762 N GLN A 111 7.419 -3.426 -14.316 1.00 0.00 N ATOM 1763 CA GLN A 111 8.253 -2.842 -15.372 1.00 0.00 C ATOM 1764 C GLN A 111 8.089 -3.558 -16.727 1.00 0.00 C ATOM 1765 O GLN A 111 8.373 -2.962 -17.768 1.00 0.00 O ATOM 1766 CB GLN A 111 9.732 -2.858 -14.932 1.00 0.00 C ATOM 1767 CG GLN A 111 9.997 -2.342 -13.503 1.00 0.00 C ATOM 1768 CD GLN A 111 9.382 -0.969 -13.221 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.669 0.020 -13.883 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.507 -0.853 -12.242 1.00 0.00 N ATOM 0 H GLN A 111 7.916 -4.111 -13.746 1.00 0.00 H new ATOM 0 HA GLN A 111 7.919 -1.815 -15.520 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.106 -3.879 -15.008 1.00 0.00 H new ATOM 0 HB3 GLN A 111 10.309 -2.254 -15.632 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.601 -3.062 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.073 -2.289 -13.339 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.258 -1.668 -11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.079 0.052 -12.045 1.00 0.00 H new ATOM 1779 N GLY A 112 7.616 -4.814 -16.726 1.00 0.00 N ATOM 1780 CA GLY A 112 7.360 -5.611 -17.936 1.00 0.00 C ATOM 1781 C GLY A 112 5.903 -5.533 -18.395 1.00 0.00 C ATOM 1782 O GLY A 112 5.636 -5.199 -19.550 1.00 0.00 O ATOM 0 H GLY A 112 7.396 -5.315 -15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.009 -5.263 -18.740 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.621 -6.652 -17.743 1.00 0.00 H new ATOM 1786 N SER A 113 4.965 -5.810 -17.487 1.00 0.00 N ATOM 1787 CA SER A 113 3.521 -5.916 -17.757 1.00 0.00 C ATOM 1788 C SER A 113 2.688 -5.590 -16.504 1.00 0.00 C ATOM 1789 O SER A 113 3.128 -5.833 -15.375 1.00 0.00 O ATOM 1790 CB SER A 113 3.161 -7.343 -18.216 1.00 0.00 C ATOM 1791 OG SER A 113 3.738 -7.682 -19.471 1.00 0.00 O ATOM 0 H SER A 113 5.194 -5.973 -16.506 1.00 0.00 H new ATOM 0 HA SER A 113 3.290 -5.196 -18.542 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.496 -8.057 -17.463 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.077 -7.435 -18.283 1.00 0.00 H new ATOM 0 HG SER A 113 3.480 -8.596 -19.714 1.00 0.00 H new ATOM 1797 N LEU A 114 1.471 -5.064 -16.698 1.00 0.00 N ATOM 1798 CA LEU A 114 0.484 -4.798 -15.646 1.00 0.00 C ATOM 1799 C LEU A 114 -0.817 -5.601 -15.863 1.00 0.00 C ATOM 1800 O LEU A 114 -1.170 -5.876 -17.017 1.00 0.00 O ATOM 1801 CB LEU A 114 0.177 -3.291 -15.641 1.00 0.00 C ATOM 1802 CG LEU A 114 1.348 -2.403 -15.180 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.990 -0.938 -15.445 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.649 -2.601 -13.688 1.00 0.00 C ATOM 0 H LEU A 114 1.136 -4.803 -17.625 1.00 0.00 H new ATOM 0 HA LEU A 114 0.898 -5.110 -14.687 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.117 -2.990 -16.646 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.678 -3.109 -14.990 1.00 0.00 H new ATOM 0 HG LEU A 114 2.241 -2.684 -15.739 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.812 -0.299 -15.123 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.814 -0.793 -16.511 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.089 -0.678 -14.890 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.481 -1.959 -13.396 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.768 -2.342 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.913 -3.643 -13.505 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.569 -5.924 -14.791 1.00 0.00 N ATOM 1817 CA PRO A 115 -2.880 -6.557 -14.881 1.00 0.00 C ATOM 1818 C PRO A 115 -3.909 -5.589 -15.471 1.00 0.00 C ATOM 1819 O PRO A 115 -3.822 -4.378 -15.273 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.247 -6.941 -13.446 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.536 -5.885 -12.603 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.258 -5.632 -13.400 1.00 0.00 C ATOM 0 HA PRO A 115 -2.866 -7.428 -15.537 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.325 -6.921 -13.288 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -2.907 -7.947 -13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.134 -4.980 -12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.322 -6.245 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.928 -4.599 -13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.447 -6.267 -13.043 1.00 0.00 H new ATOM 1830 N ASP A 116 -4.893 -6.128 -16.191 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.043 -5.364 -16.687 1.00 0.00 C ATOM 1832 C ASP A 116 -7.095 -5.129 -15.584 1.00 0.00 C ATOM 1833 O ASP A 116 -7.287 -5.936 -14.671 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.646 -6.069 -17.915 1.00 0.00 C ATOM 1835 CG ASP A 116 -7.825 -5.306 -18.549 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -7.840 -4.050 -18.506 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -8.746 -5.969 -19.077 1.00 0.00 O ATOM 0 H ASP A 116 -4.917 -7.114 -16.450 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.696 -4.377 -16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.867 -6.204 -18.665 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.983 -7.064 -17.623 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.792 -3.999 -15.708 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.843 -3.500 -14.805 1.00 0.00 C ATOM 1844 C ILE A 117 -10.095 -3.017 -15.558 1.00 0.00 C ATOM 1845 O ILE A 117 -11.037 -2.528 -14.944 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.282 -2.361 -13.922 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.845 -1.171 -14.809 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.146 -2.870 -13.009 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.529 0.080 -14.007 1.00 0.00 C ATOM 0 H ILE A 117 -7.631 -3.364 -16.490 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.152 -4.337 -14.179 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.069 -2.004 -13.258 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.966 -1.458 -15.386 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.637 -0.948 -15.524 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.772 -2.047 -12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.527 -3.658 -12.359 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.336 -3.265 -13.622 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.229 0.880 -14.684 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.414 0.389 -13.451 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.717 -0.130 -13.310 1.00 0.00 H new ATOM 1861 N SER A 118 -10.117 -3.112 -16.887 1.00 0.00 N ATOM 1862 CA SER A 118 -11.187 -2.571 -17.751 1.00 0.00 C ATOM 1863 C SER A 118 -12.574 -3.216 -17.533 1.00 0.00 C ATOM 1864 O SER A 118 -13.588 -2.692 -18.000 1.00 0.00 O ATOM 1865 CB SER A 118 -10.789 -2.706 -19.232 1.00 0.00 C ATOM 1866 OG SER A 118 -9.519 -2.128 -19.512 1.00 0.00 O ATOM 0 H SER A 118 -9.377 -3.577 -17.414 1.00 0.00 H new ATOM 0 HA SER A 118 -11.289 -1.524 -17.467 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.772 -3.761 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.547 -2.228 -19.853 1.00 0.00 H new ATOM 0 HG SER A 118 -8.812 -2.695 -19.138 1.00 0.00 H new ATOM 1872 N SER A 119 -12.646 -4.333 -16.808 1.00 0.00 N ATOM 1873 CA SER A 119 -13.880 -5.003 -16.370 1.00 0.00 C ATOM 1874 C SER A 119 -14.425 -4.499 -15.014 1.00 0.00 C ATOM 1875 O SER A 119 -15.549 -4.845 -14.635 1.00 0.00 O ATOM 1876 CB SER A 119 -13.602 -6.511 -16.287 1.00 0.00 C ATOM 1877 OG SER A 119 -12.445 -6.791 -15.503 1.00 0.00 O ATOM 0 H SER A 119 -11.808 -4.822 -16.493 1.00 0.00 H new ATOM 0 HA SER A 119 -14.653 -4.771 -17.103 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.465 -7.017 -15.855 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.467 -6.912 -17.291 1.00 0.00 H new ATOM 0 HG SER A 119 -12.299 -7.759 -15.470 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.650 -3.684 -14.287 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.954 -3.171 -12.947 1.00 0.00 C ATOM 1885 C CYS A 120 -14.727 -1.836 -12.991 1.00 0.00 C ATOM 1886 O CYS A 120 -15.796 -1.749 -12.347 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.639 -3.026 -12.163 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.573 -4.493 -12.117 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.238 -0.858 -13.604 1.00 0.00 O ATOM 0 H CYS A 120 -12.751 -3.349 -14.635 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.609 -3.882 -12.443 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.071 -2.202 -12.595 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.880 -2.744 -11.138 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.222 -5.484 -11.582 1.00 0.00 H new