USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=38 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 32 HIS : no HD1:sc= -0.242 K(o=-0.31,f=-0.99) USER MOD Set 1.2: A 108 ASN : amide:sc= -0.0727 X(o=-0.31,f=-0.21) USER MOD Set 2.1: A 72 CYS SG : rot 97:sc= 0.965 USER MOD Set 2.2: A 90 CYS SG : rot 34:sc= 0.131 USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 1.1 USER MOD Set 3.2: A 76 CYS SG : rot -43:sc= 0.759 USER MOD Set 4.1: A 48 SER OG : rot 180:sc= 0.258 USER MOD Set 4.2: A 57 ASN : amide:sc= 1.88 K(o=2.1,f=-4.4!) USER MOD Set 5.1: A 42 ASN : amide:sc= 0.939 K(o=3.4,f=1.7) USER MOD Set 5.2: A 55 GLN : amide:sc= 2.5 K(o=3.4,f=-0.43) USER MOD Set 6.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 40 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.922) USER MOD Set 7.1: A 28 CYS SG : rot 67:sc= -0.293 USER MOD Set 7.2: A 109 HIS : no HD1:sc= -0.539 X(o=-0.63,f=-0.72) USER MOD Set 7.3: A 110 CYS SG : rot -37:sc= 0.207 USER MOD Set 8.1: A 7 CYS SG : rot 180:sc= 0.449 USER MOD Set 8.2: A 119 SER OG : rot 180:sc= 0.0136 USER MOD Set 8.3: A 120 CYS SG : rot -54:sc= 0.194 USER MOD Set 9.1: A 1 GLY N :NH3+ -161:sc= 0.232 (180deg=0) USER MOD Set 9.2: A 39 SER OG : rot 180:sc= 0.221 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -135:sc= 1.23 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-1.4) USER MOD Single : A 21 ASN : amide:sc= 0.0563 K(o=0.056,f=-2.5!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.101 (180deg=-3.26!) USER MOD Single : A 25 ASN : amide:sc= 0.582 K(o=0.58,f=-2.8!) USER MOD Single : A 34 SER OG : rot -123:sc= 1.15 USER MOD Single : A 38 THR OG1 : rot 165:sc= 0.697 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 44 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.78) 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 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -149:sc= 0.483 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= 0.985 (180deg=0.62) USER MOD Single : A 73 ASN : amide:sc= -0.0366 K(o=-0.037,f=-0.82) USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.91) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00132) USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 1.87 (180deg=1.73) USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.735) 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= -0.0441 X(o=-0.044,f=-0.044) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= 0.964 (180deg=0.777) USER MOD Single : A 111 GLN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.515 -8.425 10.210 1.00 0.00 N ATOM 2 CA GLY A 1 -7.880 -7.661 9.002 1.00 0.00 C ATOM 3 C GLY A 1 -8.798 -8.447 8.082 1.00 0.00 C ATOM 4 O GLY A 1 -9.707 -9.138 8.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.172 -7.772 10.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.350 -8.935 10.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.766 -9.107 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.370 -6.733 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.975 -7.386 8.461 1.00 0.00 H new ATOM 10 N LYS A 2 -8.571 -8.325 6.774 1.00 0.00 N ATOM 11 CA LYS A 2 -9.396 -8.857 5.676 1.00 0.00 C ATOM 12 C LYS A 2 -8.593 -8.974 4.362 1.00 0.00 C ATOM 13 O LYS A 2 -7.417 -8.593 4.311 1.00 0.00 O ATOM 14 CB LYS A 2 -10.648 -7.967 5.515 1.00 0.00 C ATOM 15 CG LYS A 2 -10.327 -6.553 4.995 1.00 0.00 C ATOM 16 CD LYS A 2 -11.579 -5.688 4.816 1.00 0.00 C ATOM 17 CE LYS A 2 -12.487 -6.179 3.679 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.679 -5.306 3.522 1.00 0.00 N ATOM 0 H LYS A 2 -7.756 -7.821 6.425 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.713 -9.870 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.343 -8.450 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.154 -7.887 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.647 -6.061 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.806 -6.631 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.145 -5.679 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.278 -4.660 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.924 -6.201 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.807 -7.201 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.272 -5.664 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.228 -5.305 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.373 -4.336 3.304 1.00 0.00 H new ATOM 32 N THR A 3 -9.243 -9.445 3.288 1.00 0.00 N ATOM 33 CA THR A 3 -8.617 -9.703 1.979 1.00 0.00 C ATOM 34 C THR A 3 -9.531 -9.268 0.836 1.00 0.00 C ATOM 35 O THR A 3 -10.748 -9.441 0.916 1.00 0.00 O ATOM 36 CB THR A 3 -8.226 -11.183 1.844 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.641 -11.640 3.043 1.00 0.00 O ATOM 38 CG2 THR A 3 -7.250 -11.415 0.690 1.00 0.00 C ATOM 0 H THR A 3 -10.239 -9.662 3.303 1.00 0.00 H new ATOM 0 HA THR A 3 -7.706 -9.107 1.918 1.00 0.00 H new ATOM 0 HB THR A 3 -9.139 -11.740 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.834 -12.157 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.001 -12.475 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.711 -11.098 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.341 -10.838 0.860 1.00 0.00 H new ATOM 46 N PHE A 4 -8.939 -8.709 -0.222 1.00 0.00 N ATOM 47 CA PHE A 4 -9.624 -8.159 -1.399 1.00 0.00 C ATOM 48 C PHE A 4 -9.307 -8.956 -2.676 1.00 0.00 C ATOM 49 O PHE A 4 -8.272 -9.618 -2.786 1.00 0.00 O ATOM 50 CB PHE A 4 -9.214 -6.678 -1.589 1.00 0.00 C ATOM 51 CG PHE A 4 -9.643 -5.748 -0.463 1.00 0.00 C ATOM 52 CD1 PHE A 4 -8.917 -5.698 0.746 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.784 -4.934 -0.617 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.355 -4.877 1.799 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.223 -4.121 0.441 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.512 -4.094 1.651 1.00 0.00 C ATOM 0 H PHE A 4 -7.925 -8.623 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.698 -8.232 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.130 -6.626 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.640 -6.315 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.023 -6.292 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.323 -4.936 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.800 -4.848 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.109 -3.515 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.853 -3.473 2.466 1.00 0.00 H new ATOM 66 N THR A 5 -10.193 -8.829 -3.670 1.00 0.00 N ATOM 67 CA THR A 5 -9.981 -9.248 -5.068 1.00 0.00 C ATOM 68 C THR A 5 -9.689 -7.997 -5.893 1.00 0.00 C ATOM 69 O THR A 5 -9.962 -6.892 -5.425 1.00 0.00 O ATOM 70 CB THR A 5 -11.172 -10.064 -5.588 1.00 0.00 C ATOM 71 OG1 THR A 5 -10.810 -10.584 -6.846 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.466 -9.261 -5.749 1.00 0.00 C ATOM 0 H THR A 5 -11.114 -8.416 -3.521 1.00 0.00 H new ATOM 0 HA THR A 5 -9.126 -9.919 -5.149 1.00 0.00 H new ATOM 0 HB THR A 5 -11.383 -10.835 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.551 -11.114 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.256 -9.914 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.761 -8.848 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.304 -8.448 -6.457 1.00 0.00 H new ATOM 80 N ARG A 6 -9.136 -8.126 -7.102 1.00 0.00 N ATOM 81 CA ARG A 6 -8.712 -6.967 -7.906 1.00 0.00 C ATOM 82 C ARG A 6 -9.872 -5.996 -8.167 1.00 0.00 C ATOM 83 O ARG A 6 -9.734 -4.796 -7.926 1.00 0.00 O ATOM 84 CB ARG A 6 -8.047 -7.446 -9.205 1.00 0.00 C ATOM 85 CG ARG A 6 -7.323 -6.294 -9.926 1.00 0.00 C ATOM 86 CD ARG A 6 -6.565 -6.779 -11.167 1.00 0.00 C ATOM 87 NE ARG A 6 -5.481 -7.711 -10.804 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.115 -8.816 -11.438 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.729 -9.254 -12.519 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.096 -9.500 -10.975 1.00 0.00 N ATOM 0 H ARG A 6 -8.969 -9.026 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.973 -6.403 -7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.335 -8.240 -8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.802 -7.873 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.050 -5.536 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.625 -5.818 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.258 -7.272 -11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.149 -5.923 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.950 -7.477 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.521 -8.737 -12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.412 -10.110 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.602 -9.179 -10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.798 -10.353 -11.447 1.00 0.00 H new ATOM 104 N CYS A 7 -11.047 -6.507 -8.545 1.00 0.00 N ATOM 105 CA CYS A 7 -12.261 -5.699 -8.758 1.00 0.00 C ATOM 106 C CYS A 7 -12.752 -4.980 -7.489 1.00 0.00 C ATOM 107 O CYS A 7 -13.308 -3.887 -7.582 1.00 0.00 O ATOM 108 CB CYS A 7 -13.371 -6.590 -9.335 1.00 0.00 C ATOM 109 SG CYS A 7 -12.944 -7.430 -10.885 1.00 0.00 S ATOM 0 H CYS A 7 -11.188 -7.503 -8.715 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.001 -4.911 -9.465 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.637 -7.342 -8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.258 -5.979 -9.502 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.950 -8.153 -11.278 1.00 0.00 H new ATOM 114 N GLY A 8 -12.484 -5.547 -6.305 1.00 0.00 N ATOM 115 CA GLY A 8 -12.753 -4.920 -5.007 1.00 0.00 C ATOM 116 C GLY A 8 -11.721 -3.843 -4.688 1.00 0.00 C ATOM 117 O GLY A 8 -12.095 -2.723 -4.359 1.00 0.00 O ATOM 0 H GLY A 8 -12.065 -6.474 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.751 -4.481 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.743 -5.679 -4.225 1.00 0.00 H new ATOM 121 N LEU A 9 -10.427 -4.147 -4.839 1.00 0.00 N ATOM 122 CA LEU A 9 -9.324 -3.220 -4.594 1.00 0.00 C ATOM 123 C LEU A 9 -9.370 -2.004 -5.527 1.00 0.00 C ATOM 124 O LEU A 9 -9.299 -0.887 -5.027 1.00 0.00 O ATOM 125 CB LEU A 9 -7.998 -3.997 -4.702 1.00 0.00 C ATOM 126 CG LEU A 9 -6.776 -3.127 -4.361 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.832 -2.625 -2.913 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.474 -3.900 -4.594 1.00 0.00 C ATOM 0 H LEU A 9 -10.113 -5.069 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.414 -2.809 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.028 -4.855 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.891 -4.388 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.798 -2.263 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.954 -2.014 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.732 -2.027 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.850 -3.477 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.624 -3.264 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.460 -4.788 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.411 -4.199 -5.640 1.00 0.00 H new ATOM 140 N VAL A 10 -9.557 -2.195 -6.838 1.00 0.00 N ATOM 141 CA VAL A 10 -9.709 -1.092 -7.813 1.00 0.00 C ATOM 142 C VAL A 10 -10.778 -0.093 -7.337 1.00 0.00 C ATOM 143 O VAL A 10 -10.554 1.113 -7.335 1.00 0.00 O ATOM 144 CB VAL A 10 -10.065 -1.633 -9.222 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.551 -0.532 -10.178 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.858 -2.324 -9.879 1.00 0.00 C ATOM 0 H VAL A 10 -9.608 -3.121 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.752 -0.574 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.873 -2.346 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.785 -0.970 -11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.444 -0.062 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.769 0.217 -10.298 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.142 -2.692 -10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.040 -1.610 -9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.536 -3.160 -9.259 1.00 0.00 H new ATOM 156 N HIS A 11 -11.920 -0.599 -6.863 1.00 0.00 N ATOM 157 CA HIS A 11 -13.021 0.212 -6.322 1.00 0.00 C ATOM 158 C HIS A 11 -12.678 0.876 -4.975 1.00 0.00 C ATOM 159 O HIS A 11 -12.960 2.059 -4.787 1.00 0.00 O ATOM 160 CB HIS A 11 -14.268 -0.668 -6.165 1.00 0.00 C ATOM 161 CG HIS A 11 -14.988 -1.021 -7.445 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.305 -1.487 -7.495 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.506 -0.918 -8.722 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.578 -1.665 -8.797 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.522 -1.333 -9.556 1.00 0.00 N ATOM 0 H HIS A 11 -12.111 -1.601 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.206 1.020 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.977 -1.593 -5.667 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -14.969 -0.158 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.524 -0.579 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.520 -2.027 -9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.479 -1.380 -10.574 1.00 0.00 H new ATOM 173 N GLU A 12 -12.051 0.139 -4.058 1.00 0.00 N ATOM 174 CA GLU A 12 -11.654 0.618 -2.731 1.00 0.00 C ATOM 175 C GLU A 12 -10.685 1.804 -2.838 1.00 0.00 C ATOM 176 O GLU A 12 -10.855 2.815 -2.162 1.00 0.00 O ATOM 177 CB GLU A 12 -11.040 -0.558 -1.948 1.00 0.00 C ATOM 178 CG GLU A 12 -11.244 -0.486 -0.433 1.00 0.00 C ATOM 179 CD GLU A 12 -12.729 -0.458 -0.025 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.510 -1.329 -0.475 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.125 0.432 0.764 1.00 0.00 O ATOM 0 H GLU A 12 -11.797 -0.835 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.528 0.984 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.472 -1.488 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.971 -0.598 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.761 -1.344 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.750 0.406 -0.048 1.00 0.00 H new ATOM 188 N LEU A 13 -9.723 1.732 -3.762 1.00 0.00 N ATOM 189 CA LEU A 13 -8.757 2.800 -4.028 1.00 0.00 C ATOM 190 C LEU A 13 -9.391 3.983 -4.771 1.00 0.00 C ATOM 191 O LEU A 13 -9.136 5.132 -4.414 1.00 0.00 O ATOM 192 CB LEU A 13 -7.590 2.212 -4.825 1.00 0.00 C ATOM 193 CG LEU A 13 -6.845 1.067 -4.123 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.828 0.484 -5.104 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.143 1.496 -2.832 1.00 0.00 C ATOM 0 H LEU A 13 -9.592 0.914 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.399 3.195 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.967 1.849 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.879 3.009 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.584 0.322 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.287 -0.332 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.347 0.107 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.124 1.261 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.638 0.637 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.411 2.272 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.880 1.885 -2.129 1.00 0.00 H new ATOM 207 N ARG A 14 -10.260 3.722 -5.756 1.00 0.00 N ATOM 208 CA ARG A 14 -11.048 4.774 -6.433 1.00 0.00 C ATOM 209 C ARG A 14 -11.869 5.608 -5.430 1.00 0.00 C ATOM 210 O ARG A 14 -11.914 6.834 -5.535 1.00 0.00 O ATOM 211 CB ARG A 14 -11.982 4.166 -7.493 1.00 0.00 C ATOM 212 CG ARG A 14 -11.278 3.828 -8.816 1.00 0.00 C ATOM 213 CD ARG A 14 -12.206 2.971 -9.685 1.00 0.00 C ATOM 214 NE ARG A 14 -11.630 2.682 -11.008 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.161 1.862 -11.913 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.327 1.283 -11.731 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.526 1.591 -13.030 1.00 0.00 N ATOM 0 H ARG A 14 -10.440 2.782 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.336 5.437 -6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.433 3.259 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.794 4.865 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.012 4.744 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.349 3.292 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.416 2.033 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.158 3.486 -9.811 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.755 3.146 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.855 1.456 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.704 0.660 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.614 2.010 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.944 0.961 -13.715 1.00 0.00 H new ATOM 231 N LYS A 15 -12.467 4.964 -4.421 1.00 0.00 N ATOM 232 CA LYS A 15 -13.201 5.626 -3.328 1.00 0.00 C ATOM 233 C LYS A 15 -12.280 6.356 -2.325 1.00 0.00 C ATOM 234 O LYS A 15 -12.693 7.345 -1.718 1.00 0.00 O ATOM 235 CB LYS A 15 -14.072 4.577 -2.611 1.00 0.00 C ATOM 236 CG LYS A 15 -15.255 4.111 -3.475 1.00 0.00 C ATOM 237 CD LYS A 15 -15.988 2.939 -2.804 1.00 0.00 C ATOM 238 CE LYS A 15 -17.135 2.391 -3.669 1.00 0.00 C ATOM 239 NZ LYS A 15 -18.275 3.340 -3.779 1.00 0.00 N ATOM 0 H LYS A 15 -12.456 3.948 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.826 6.403 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.457 3.717 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.449 4.997 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.947 4.939 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.896 3.807 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.277 2.139 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.386 3.265 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.757 2.166 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.489 1.452 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.019 2.921 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.656 3.536 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.947 4.228 -4.210 1.00 0.00 H new ATOM 253 N HIS A 16 -11.024 5.921 -2.198 1.00 0.00 N ATOM 254 CA HIS A 16 -10.017 6.484 -1.283 1.00 0.00 C ATOM 255 C HIS A 16 -9.118 7.575 -1.916 1.00 0.00 C ATOM 256 O HIS A 16 -8.234 8.111 -1.243 1.00 0.00 O ATOM 257 CB HIS A 16 -9.209 5.323 -0.670 1.00 0.00 C ATOM 258 CG HIS A 16 -10.004 4.453 0.279 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.352 4.599 0.631 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.487 3.399 0.969 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.606 3.604 1.497 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.508 2.873 1.728 1.00 0.00 N ATOM 0 H HIS A 16 -10.664 5.140 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.542 7.022 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.818 4.701 -1.475 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.350 5.733 -0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.468 3.043 0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.570 3.418 1.948 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.440 2.071 2.354 1.00 0.00 H new ATOM 270 N GLY A 17 -9.358 7.938 -3.184 1.00 0.00 N ATOM 271 CA GLY A 17 -8.706 9.066 -3.868 1.00 0.00 C ATOM 272 C GLY A 17 -7.453 8.685 -4.659 1.00 0.00 C ATOM 273 O GLY A 17 -6.516 9.480 -4.734 1.00 0.00 O ATOM 0 H GLY A 17 -10.026 7.445 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.423 9.527 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.438 9.819 -3.127 1.00 0.00 H new ATOM 277 N PHE A 18 -7.412 7.482 -5.238 1.00 0.00 N ATOM 278 CA PHE A 18 -6.330 7.034 -6.116 1.00 0.00 C ATOM 279 C PHE A 18 -6.629 7.365 -7.583 1.00 0.00 C ATOM 280 O PHE A 18 -7.777 7.364 -8.032 1.00 0.00 O ATOM 281 CB PHE A 18 -6.082 5.536 -5.925 1.00 0.00 C ATOM 282 CG PHE A 18 -5.350 5.195 -4.643 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.956 5.414 -3.392 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.042 4.683 -4.699 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.248 5.155 -2.213 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.345 4.384 -3.517 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.947 4.623 -2.272 1.00 0.00 C ATOM 0 H PHE A 18 -8.142 6.781 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.422 7.571 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.039 5.015 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.506 5.162 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.970 5.783 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.570 4.519 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.702 5.364 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.348 3.971 -3.566 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.412 4.399 -1.361 1.00 0.00 H new ATOM 297 N GLU A 19 -5.562 7.653 -8.322 1.00 0.00 N ATOM 298 CA GLU A 19 -5.578 8.118 -9.702 1.00 0.00 C ATOM 299 C GLU A 19 -5.979 6.976 -10.650 1.00 0.00 C ATOM 300 O GLU A 19 -5.320 5.934 -10.692 1.00 0.00 O ATOM 301 CB GLU A 19 -4.179 8.644 -10.067 1.00 0.00 C ATOM 302 CG GLU A 19 -3.652 9.843 -9.263 1.00 0.00 C ATOM 303 CD GLU A 19 -3.341 9.573 -7.776 1.00 0.00 C ATOM 304 OE1 GLU A 19 -3.069 8.413 -7.387 1.00 0.00 O ATOM 305 OE2 GLU A 19 -3.411 10.527 -6.967 1.00 0.00 O ATOM 0 H GLU A 19 -4.615 7.563 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.311 8.918 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.469 7.824 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.185 8.920 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.744 10.207 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.387 10.646 -9.321 1.00 0.00 H new ATOM 312 N GLU A 20 -7.043 7.166 -11.435 1.00 0.00 N ATOM 313 CA GLU A 20 -7.599 6.116 -12.304 1.00 0.00 C ATOM 314 C GLU A 20 -6.627 5.638 -13.402 1.00 0.00 C ATOM 315 O GLU A 20 -6.690 4.480 -13.815 1.00 0.00 O ATOM 316 CB GLU A 20 -8.946 6.567 -12.898 1.00 0.00 C ATOM 317 CG GLU A 20 -8.846 7.763 -13.859 1.00 0.00 C ATOM 318 CD GLU A 20 -10.237 8.182 -14.359 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.697 7.654 -15.400 1.00 0.00 O ATOM 320 OE2 GLU A 20 -10.877 9.050 -13.719 1.00 0.00 O ATOM 0 H GLU A 20 -7.546 8.052 -11.489 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.765 5.245 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.395 5.727 -13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.621 6.827 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.369 8.602 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.214 7.501 -14.707 1.00 0.00 H new ATOM 327 N ASN A 21 -5.685 6.488 -13.829 1.00 0.00 N ATOM 328 CA ASN A 21 -4.626 6.131 -14.779 1.00 0.00 C ATOM 329 C ASN A 21 -3.428 5.411 -14.124 1.00 0.00 C ATOM 330 O ASN A 21 -2.648 4.764 -14.826 1.00 0.00 O ATOM 331 CB ASN A 21 -4.173 7.384 -15.548 1.00 0.00 C ATOM 332 CG ASN A 21 -3.374 8.366 -14.692 1.00 0.00 C ATOM 333 OD1 ASN A 21 -3.826 8.816 -13.648 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.165 8.714 -15.094 1.00 0.00 N ATOM 0 H ASN A 21 -5.637 7.458 -13.519 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.051 5.410 -15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.566 7.078 -16.400 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.050 7.893 -15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.607 9.359 -14.534 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.789 8.338 -15.965 1.00 0.00 H new ATOM 341 N LEU A 22 -3.285 5.487 -12.790 1.00 0.00 N ATOM 342 CA LEU A 22 -2.257 4.769 -12.024 1.00 0.00 C ATOM 343 C LEU A 22 -2.774 3.470 -11.392 1.00 0.00 C ATOM 344 O LEU A 22 -1.965 2.669 -10.932 1.00 0.00 O ATOM 345 CB LEU A 22 -1.689 5.684 -10.928 1.00 0.00 C ATOM 346 CG LEU A 22 -1.067 7.016 -11.393 1.00 0.00 C ATOM 347 CD1 LEU A 22 -0.444 7.711 -10.175 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.004 6.843 -12.490 1.00 0.00 C ATOM 0 H LEU A 22 -3.893 6.060 -12.205 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.476 4.491 -12.731 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.490 5.910 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.930 5.127 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.864 7.617 -11.831 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.002 8.656 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.216 7.901 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.326 7.070 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.392 7.819 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.806 6.217 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.455 6.370 -13.363 1.00 0.00 H new ATOM 360 N MET A 23 -4.091 3.237 -11.378 1.00 0.00 N ATOM 361 CA MET A 23 -4.752 2.097 -10.719 1.00 0.00 C ATOM 362 C MET A 23 -4.095 0.744 -11.045 1.00 0.00 C ATOM 363 O MET A 23 -3.823 -0.036 -10.131 1.00 0.00 O ATOM 364 CB MET A 23 -6.247 2.139 -11.082 1.00 0.00 C ATOM 365 CG MET A 23 -7.143 1.317 -10.145 1.00 0.00 C ATOM 366 SD MET A 23 -7.058 1.772 -8.398 1.00 0.00 S ATOM 367 CE MET A 23 -7.522 3.514 -8.529 1.00 0.00 C ATOM 0 H MET A 23 -4.754 3.858 -11.842 1.00 0.00 H new ATOM 0 HA MET A 23 -4.636 2.191 -9.639 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.583 3.176 -11.072 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.373 1.773 -12.101 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.176 1.415 -10.479 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.875 0.265 -10.243 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.077 3.811 -7.639 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.623 4.124 -8.616 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.146 3.659 -9.411 1.00 0.00 H new ATOM 377 N ARG A 24 -3.726 0.506 -12.314 1.00 0.00 N ATOM 378 CA ARG A 24 -2.975 -0.685 -12.750 1.00 0.00 C ATOM 379 C ARG A 24 -1.657 -0.870 -11.979 1.00 0.00 C ATOM 380 O ARG A 24 -1.416 -1.939 -11.421 1.00 0.00 O ATOM 381 CB ARG A 24 -2.669 -0.616 -14.259 1.00 0.00 C ATOM 382 CG ARG A 24 -3.914 -0.472 -15.145 1.00 0.00 C ATOM 383 CD ARG A 24 -3.581 -0.531 -16.641 1.00 0.00 C ATOM 384 NE ARG A 24 -3.190 -1.889 -17.054 1.00 0.00 N ATOM 385 CZ ARG A 24 -2.698 -2.253 -18.232 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.469 -1.385 -19.195 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.427 -3.520 -18.456 1.00 0.00 N ATOM 0 H ARG A 24 -3.944 1.145 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.614 -1.542 -12.537 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.004 0.227 -14.446 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.131 -1.518 -14.551 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.622 -1.264 -14.902 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.406 0.475 -14.923 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.446 -0.208 -17.220 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.772 0.165 -16.862 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.310 -2.628 -16.362 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.670 -0.396 -19.049 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.090 -1.702 -20.088 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.595 -4.214 -17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.049 -3.809 -19.358 1.00 0.00 H new ATOM 401 N ASN A 25 -0.823 0.174 -11.898 1.00 0.00 N ATOM 402 CA ASN A 25 0.424 0.157 -11.122 1.00 0.00 C ATOM 403 C ASN A 25 0.150 -0.033 -9.623 1.00 0.00 C ATOM 404 O ASN A 25 0.831 -0.833 -8.986 1.00 0.00 O ATOM 405 CB ASN A 25 1.232 1.446 -11.353 1.00 0.00 C ATOM 406 CG ASN A 25 1.922 1.479 -12.709 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.985 0.899 -12.890 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.359 2.162 -13.689 1.00 0.00 N ATOM 0 H ASN A 25 -0.995 1.060 -12.372 1.00 0.00 H new ATOM 0 HA ASN A 25 1.012 -0.692 -11.470 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.567 2.305 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.981 1.545 -10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.810 2.208 -14.603 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.473 2.643 -13.532 1.00 0.00 H new ATOM 415 N TRP A 26 -0.878 0.624 -9.071 1.00 0.00 N ATOM 416 CA TRP A 26 -1.238 0.512 -7.657 1.00 0.00 C ATOM 417 C TRP A 26 -1.694 -0.903 -7.275 1.00 0.00 C ATOM 418 O TRP A 26 -1.140 -1.479 -6.337 1.00 0.00 O ATOM 419 CB TRP A 26 -2.291 1.570 -7.305 1.00 0.00 C ATOM 420 CG TRP A 26 -1.750 2.949 -7.084 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.073 4.061 -7.782 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.830 3.391 -6.040 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.439 5.161 -7.231 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.673 4.806 -6.137 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.139 2.735 -4.998 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.106 5.534 -5.226 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.652 3.452 -4.084 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.771 4.850 -4.192 1.00 0.00 C ATOM 0 H TRP A 26 -1.485 1.251 -9.598 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.343 0.701 -7.065 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.028 1.609 -8.107 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.817 1.253 -6.404 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.728 4.087 -8.641 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.526 6.113 -7.587 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.220 1.662 -4.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.194 6.607 -5.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.171 2.928 -3.295 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.372 5.398 -3.482 1.00 0.00 H new ATOM 439 N VAL A 27 -2.629 -1.508 -8.017 1.00 0.00 N ATOM 440 CA VAL A 27 -3.076 -2.879 -7.697 1.00 0.00 C ATOM 441 C VAL A 27 -1.966 -3.910 -7.933 1.00 0.00 C ATOM 442 O VAL A 27 -1.844 -4.851 -7.159 1.00 0.00 O ATOM 443 CB VAL A 27 -4.389 -3.311 -8.388 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.504 -2.281 -8.151 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.237 -3.606 -9.886 1.00 0.00 C ATOM 0 H VAL A 27 -3.085 -1.086 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.306 -2.848 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.667 -4.256 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.416 -2.611 -8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.689 -2.185 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.199 -1.316 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.202 -3.903 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.883 -2.712 -10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.519 -4.414 -10.027 1.00 0.00 H new ATOM 455 N CYS A 28 -1.099 -3.703 -8.933 1.00 0.00 N ATOM 456 CA CYS A 28 0.022 -4.607 -9.227 1.00 0.00 C ATOM 457 C CYS A 28 1.145 -4.525 -8.173 1.00 0.00 C ATOM 458 O CYS A 28 1.715 -5.548 -7.794 1.00 0.00 O ATOM 459 CB CYS A 28 0.510 -4.294 -10.643 1.00 0.00 C ATOM 460 SG CYS A 28 1.537 -5.575 -11.399 1.00 0.00 S ATOM 0 H CYS A 28 -1.155 -2.902 -9.562 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.315 -5.642 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.358 -4.122 -11.280 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.077 -3.363 -10.618 1.00 0.00 H new ATOM 0 HG CYS A 28 0.819 -6.638 -11.610 1.00 0.00 H new ATOM 465 N LEU A 29 1.390 -3.326 -7.631 1.00 0.00 N ATOM 466 CA LEU A 29 2.245 -3.069 -6.465 1.00 0.00 C ATOM 467 C LEU A 29 1.673 -3.786 -5.238 1.00 0.00 C ATOM 468 O LEU A 29 2.354 -4.605 -4.625 1.00 0.00 O ATOM 469 CB LEU A 29 2.342 -1.534 -6.303 1.00 0.00 C ATOM 470 CG LEU A 29 3.144 -0.945 -5.121 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.290 0.563 -5.379 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.470 -1.116 -3.748 1.00 0.00 C ATOM 0 H LEU A 29 0.980 -2.472 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 29 3.253 -3.464 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.772 -1.135 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.325 -1.148 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 29 4.091 -1.482 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.853 1.019 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.819 0.722 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.302 1.019 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.100 -0.675 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.501 -0.618 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.331 -2.177 -3.540 1.00 0.00 H new ATOM 484 N VAL A 30 0.408 -3.509 -4.911 1.00 0.00 N ATOM 485 CA VAL A 30 -0.269 -4.048 -3.720 1.00 0.00 C ATOM 486 C VAL A 30 -0.338 -5.582 -3.744 1.00 0.00 C ATOM 487 O VAL A 30 -0.058 -6.218 -2.728 1.00 0.00 O ATOM 488 CB VAL A 30 -1.675 -3.423 -3.578 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.578 -4.200 -2.615 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.561 -1.968 -3.087 1.00 0.00 C ATOM 0 H VAL A 30 -0.186 -2.897 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 30 0.322 -3.776 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.131 -3.461 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.552 -3.713 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.704 -5.220 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.122 -4.220 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.558 -1.537 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.062 -1.949 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.982 -1.386 -3.804 1.00 0.00 H new ATOM 500 N GLU A 31 -0.656 -6.183 -4.894 1.00 0.00 N ATOM 501 CA GLU A 31 -0.715 -7.642 -5.041 1.00 0.00 C ATOM 502 C GLU A 31 0.647 -8.317 -4.796 1.00 0.00 C ATOM 503 O GLU A 31 0.696 -9.357 -4.143 1.00 0.00 O ATOM 504 CB GLU A 31 -1.233 -8.008 -6.443 1.00 0.00 C ATOM 505 CG GLU A 31 -2.756 -7.850 -6.548 1.00 0.00 C ATOM 506 CD GLU A 31 -3.306 -7.995 -7.972 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.580 -8.407 -8.904 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.522 -7.762 -8.160 1.00 0.00 O ATOM 0 H GLU A 31 -0.880 -5.674 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.402 -8.013 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.750 -7.373 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.958 -9.037 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.232 -8.594 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.036 -6.871 -6.160 1.00 0.00 H new ATOM 515 N HIS A 32 1.767 -7.735 -5.238 1.00 0.00 N ATOM 516 CA HIS A 32 3.092 -8.307 -4.968 1.00 0.00 C ATOM 517 C HIS A 32 3.600 -8.040 -3.531 1.00 0.00 C ATOM 518 O HIS A 32 4.389 -8.827 -3.002 1.00 0.00 O ATOM 519 CB HIS A 32 4.070 -7.798 -6.029 1.00 0.00 C ATOM 520 CG HIS A 32 5.285 -8.670 -6.181 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.488 -8.548 -5.484 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.356 -9.751 -7.007 1.00 0.00 C ATOM 523 CE1 HIS A 32 7.254 -9.567 -5.908 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.602 -10.306 -6.824 1.00 0.00 N ATOM 0 H HIS A 32 1.784 -6.872 -5.782 1.00 0.00 H new ATOM 0 HA HIS A 32 3.013 -9.392 -5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.555 -7.733 -6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.386 -6.788 -5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.585 -10.104 -7.675 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.257 -9.766 -5.561 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.967 -11.132 -7.299 1.00 0.00 H new ATOM 532 N GLU A 33 3.124 -6.969 -2.880 1.00 0.00 N ATOM 533 CA GLU A 33 3.510 -6.615 -1.507 1.00 0.00 C ATOM 534 C GLU A 33 2.715 -7.417 -0.459 1.00 0.00 C ATOM 535 O GLU A 33 3.305 -8.099 0.378 1.00 0.00 O ATOM 536 CB GLU A 33 3.351 -5.098 -1.271 1.00 0.00 C ATOM 537 CG GLU A 33 4.412 -4.217 -1.956 1.00 0.00 C ATOM 538 CD GLU A 33 5.848 -4.356 -1.410 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.088 -5.094 -0.426 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.755 -3.706 -1.981 1.00 0.00 O ATOM 0 H GLU A 33 2.456 -6.320 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 33 4.561 -6.879 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.365 -4.792 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.380 -4.908 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.423 -4.453 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.107 -3.175 -1.864 1.00 0.00 H new ATOM 547 N SER A 34 1.381 -7.376 -0.492 1.00 0.00 N ATOM 548 CA SER A 34 0.510 -7.973 0.538 1.00 0.00 C ATOM 549 C SER A 34 -0.438 -9.058 -0.001 1.00 0.00 C ATOM 550 O SER A 34 -1.187 -9.650 0.774 1.00 0.00 O ATOM 551 CB SER A 34 -0.345 -6.868 1.169 1.00 0.00 C ATOM 552 OG SER A 34 -1.243 -6.329 0.211 1.00 0.00 O ATOM 0 H SER A 34 0.862 -6.922 -1.244 1.00 0.00 H new ATOM 0 HA SER A 34 1.172 -8.450 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.903 -7.270 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.299 -6.079 1.558 1.00 0.00 H new ATOM 0 HG SER A 34 -1.106 -5.361 0.142 1.00 0.00 H new ATOM 558 N SER A 35 -0.469 -9.301 -1.315 1.00 0.00 N ATOM 559 CA SER A 35 -1.469 -10.146 -1.996 1.00 0.00 C ATOM 560 C SER A 35 -2.913 -9.632 -1.820 1.00 0.00 C ATOM 561 O SER A 35 -3.875 -10.384 -2.003 1.00 0.00 O ATOM 562 CB SER A 35 -1.364 -11.631 -1.607 1.00 0.00 C ATOM 563 OG SER A 35 -0.030 -12.090 -1.391 1.00 0.00 O ATOM 0 H SER A 35 0.218 -8.906 -1.957 1.00 0.00 H new ATOM 0 HA SER A 35 -1.226 -10.070 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.944 -11.798 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.820 -12.233 -2.393 1.00 0.00 H new ATOM 0 HG SER A 35 -0.046 -13.039 -1.147 1.00 0.00 H new ATOM 569 N ARG A 36 -3.060 -8.348 -1.452 1.00 0.00 N ATOM 570 CA ARG A 36 -4.316 -7.681 -1.086 1.00 0.00 C ATOM 571 C ARG A 36 -4.895 -8.171 0.258 1.00 0.00 C ATOM 572 O ARG A 36 -6.113 -8.179 0.438 1.00 0.00 O ATOM 573 CB ARG A 36 -5.388 -7.737 -2.190 1.00 0.00 C ATOM 574 CG ARG A 36 -4.930 -7.719 -3.650 1.00 0.00 C ATOM 575 CD ARG A 36 -6.169 -7.565 -4.547 1.00 0.00 C ATOM 576 NE ARG A 36 -6.019 -8.290 -5.809 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.151 -9.594 -6.013 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.557 -10.429 -5.079 1.00 0.00 N ATOM 579 NH2 ARG A 36 -5.854 -10.059 -7.202 1.00 0.00 N ATOM 0 H ARG A 36 -2.261 -7.716 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.036 -6.635 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.975 -8.643 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.061 -6.892 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.235 -6.896 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.399 -8.640 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.048 -7.933 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.340 -6.508 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.786 -7.727 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.786 -10.081 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.642 -11.424 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.534 -9.424 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.943 -11.056 -7.396 1.00 0.00 H new ATOM 593 N ASP A 37 -4.047 -8.545 1.217 1.00 0.00 N ATOM 594 CA ASP A 37 -4.437 -8.933 2.586 1.00 0.00 C ATOM 595 C ASP A 37 -3.966 -7.855 3.582 1.00 0.00 C ATOM 596 O ASP A 37 -2.759 -7.620 3.705 1.00 0.00 O ATOM 597 CB ASP A 37 -3.817 -10.278 3.021 1.00 0.00 C ATOM 598 CG ASP A 37 -4.196 -11.538 2.234 1.00 0.00 C ATOM 599 OD1 ASP A 37 -3.538 -11.846 1.216 1.00 0.00 O ATOM 600 OD2 ASP A 37 -5.078 -12.286 2.713 1.00 0.00 O ATOM 0 H ASP A 37 -3.039 -8.590 1.065 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.522 -9.035 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.733 -10.174 2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.082 -10.445 4.065 1.00 0.00 H new ATOM 605 N THR A 38 -4.888 -7.200 4.309 1.00 0.00 N ATOM 606 CA THR A 38 -4.518 -6.173 5.308 1.00 0.00 C ATOM 607 C THR A 38 -3.770 -6.776 6.486 1.00 0.00 C ATOM 608 O THR A 38 -2.918 -6.119 7.071 1.00 0.00 O ATOM 609 CB THR A 38 -5.707 -5.353 5.830 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.646 -6.166 6.480 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.453 -4.591 4.742 1.00 0.00 C ATOM 0 H THR A 38 -5.892 -7.360 4.227 1.00 0.00 H new ATOM 0 HA THR A 38 -3.864 -5.489 4.768 1.00 0.00 H new ATOM 0 HB THR A 38 -5.258 -4.637 6.518 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.254 -5.607 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.279 -4.036 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.771 -3.896 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.844 -5.295 4.007 1.00 0.00 H new ATOM 619 N SER A 39 -4.031 -8.042 6.802 1.00 0.00 N ATOM 620 CA SER A 39 -3.439 -8.764 7.934 1.00 0.00 C ATOM 621 C SER A 39 -1.950 -9.129 7.746 1.00 0.00 C ATOM 622 O SER A 39 -1.314 -9.627 8.679 1.00 0.00 O ATOM 623 CB SER A 39 -4.239 -10.055 8.167 1.00 0.00 C ATOM 624 OG SER A 39 -5.636 -9.817 8.311 1.00 0.00 O ATOM 0 H SER A 39 -4.680 -8.615 6.263 1.00 0.00 H new ATOM 0 HA SER A 39 -3.485 -8.090 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.075 -10.735 7.331 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.865 -10.553 9.062 1.00 0.00 H new ATOM 0 HG SER A 39 -6.100 -10.668 8.455 1.00 0.00 H new ATOM 630 N LYS A 40 -1.378 -8.926 6.552 1.00 0.00 N ATOM 631 CA LYS A 40 -0.033 -9.402 6.203 1.00 0.00 C ATOM 632 C LYS A 40 1.091 -8.542 6.819 1.00 0.00 C ATOM 633 O LYS A 40 1.028 -7.306 6.813 1.00 0.00 O ATOM 634 CB LYS A 40 0.066 -9.512 4.667 1.00 0.00 C ATOM 635 CG LYS A 40 1.295 -10.325 4.205 1.00 0.00 C ATOM 636 CD LYS A 40 1.108 -11.043 2.861 1.00 0.00 C ATOM 637 CE LYS A 40 0.030 -12.140 2.899 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.596 -12.336 1.568 1.00 0.00 N ATOM 0 H LYS A 40 -1.840 -8.422 5.795 1.00 0.00 H new ATOM 0 HA LYS A 40 0.117 -10.389 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.840 -9.980 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.115 -8.511 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.152 -9.655 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.535 -11.065 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.843 -10.310 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.057 -11.487 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.475 -13.077 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.736 -11.873 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.455 -12.913 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.846 -11.412 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.074 -12.821 0.937 1.00 0.00 H new ATOM 652 N THR A 41 2.157 -9.206 7.283 1.00 0.00 N ATOM 653 CA THR A 41 3.407 -8.597 7.769 1.00 0.00 C ATOM 654 C THR A 41 4.631 -9.334 7.250 1.00 0.00 C ATOM 655 O THR A 41 4.561 -10.512 6.894 1.00 0.00 O ATOM 656 CB THR A 41 3.495 -8.528 9.303 1.00 0.00 C ATOM 657 OG1 THR A 41 3.234 -9.792 9.872 1.00 0.00 O ATOM 658 CG2 THR A 41 2.576 -7.500 9.954 1.00 0.00 C ATOM 0 H THR A 41 2.175 -10.225 7.333 1.00 0.00 H new ATOM 0 HA THR A 41 3.391 -7.579 7.380 1.00 0.00 H new ATOM 0 HB THR A 41 4.516 -8.205 9.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.296 -9.730 10.848 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.709 -7.526 11.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.821 -6.505 9.582 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.539 -7.733 9.711 1.00 0.00 H new ATOM 666 N ASN A 42 5.760 -8.629 7.247 1.00 0.00 N ATOM 667 CA ASN A 42 7.074 -9.139 6.853 1.00 0.00 C ATOM 668 C ASN A 42 8.187 -8.470 7.678 1.00 0.00 C ATOM 669 O ASN A 42 8.253 -7.240 7.746 1.00 0.00 O ATOM 670 CB ASN A 42 7.286 -8.888 5.350 1.00 0.00 C ATOM 671 CG ASN A 42 6.532 -9.874 4.464 1.00 0.00 C ATOM 672 OD1 ASN A 42 6.948 -11.013 4.281 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.425 -9.465 3.869 1.00 0.00 N ATOM 0 H ASN A 42 5.787 -7.649 7.529 1.00 0.00 H new ATOM 0 HA ASN A 42 7.115 -10.211 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.966 -7.874 5.109 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.351 -8.948 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.913 -10.098 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.083 -8.517 4.024 1.00 0.00 H new ATOM 680 N THR A 43 9.056 -9.268 8.314 1.00 0.00 N ATOM 681 CA THR A 43 10.163 -8.794 9.170 1.00 0.00 C ATOM 682 C THR A 43 11.445 -8.678 8.351 1.00 0.00 C ATOM 683 O THR A 43 11.753 -9.549 7.538 1.00 0.00 O ATOM 684 CB THR A 43 10.362 -9.730 10.371 1.00 0.00 C ATOM 685 OG1 THR A 43 9.116 -9.920 11.007 1.00 0.00 O ATOM 686 CG2 THR A 43 11.321 -9.138 11.407 1.00 0.00 C ATOM 0 H THR A 43 9.011 -10.285 8.249 1.00 0.00 H new ATOM 0 HA THR A 43 9.908 -7.807 9.556 1.00 0.00 H new ATOM 0 HB THR A 43 10.780 -10.664 9.997 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.229 -10.518 11.775 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.432 -9.833 12.239 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.293 -8.965 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.921 -8.193 11.775 1.00 0.00 H new ATOM 694 N ASN A 44 12.192 -7.599 8.572 1.00 0.00 N ATOM 695 CA ASN A 44 13.425 -7.256 7.858 1.00 0.00 C ATOM 696 C ASN A 44 14.678 -7.665 8.653 1.00 0.00 C ATOM 697 O ASN A 44 14.657 -7.751 9.885 1.00 0.00 O ATOM 698 CB ASN A 44 13.448 -5.743 7.573 1.00 0.00 C ATOM 699 CG ASN A 44 12.274 -5.287 6.710 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.356 -5.253 5.487 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.167 -4.927 7.328 1.00 0.00 N ATOM 0 H ASN A 44 11.947 -6.909 9.282 1.00 0.00 H new ATOM 0 HA ASN A 44 13.439 -7.810 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.432 -5.199 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.382 -5.486 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.360 -4.614 6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.117 -4.962 8.346 1.00 0.00 H new ATOM 708 N ARG A 45 15.806 -7.833 7.951 1.00 0.00 N ATOM 709 CA ARG A 45 17.115 -8.182 8.545 1.00 0.00 C ATOM 710 C ARG A 45 17.652 -7.106 9.507 1.00 0.00 C ATOM 711 O ARG A 45 18.432 -7.407 10.411 1.00 0.00 O ATOM 712 CB ARG A 45 18.152 -8.452 7.439 1.00 0.00 C ATOM 713 CG ARG A 45 17.708 -9.570 6.481 1.00 0.00 C ATOM 714 CD ARG A 45 18.787 -9.929 5.452 1.00 0.00 C ATOM 715 NE ARG A 45 19.947 -10.596 6.074 1.00 0.00 N ATOM 716 CZ ARG A 45 21.097 -10.896 5.478 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.322 -10.614 4.210 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.048 -11.495 6.160 1.00 0.00 N ATOM 0 H ARG A 45 15.841 -7.730 6.937 1.00 0.00 H new ATOM 0 HA ARG A 45 16.952 -9.085 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.321 -7.537 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.104 -8.725 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.453 -10.458 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.803 -9.258 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.359 -10.582 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.119 -9.023 4.945 1.00 0.00 H new ATOM 0 HE ARG A 45 19.858 -10.852 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.602 -10.151 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.216 -10.858 3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.902 -11.728 7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.932 -11.727 5.707 1.00 0.00 H new ATOM 732 N ASN A 46 17.193 -5.862 9.340 1.00 0.00 N ATOM 733 CA ASN A 46 17.526 -4.704 10.185 1.00 0.00 C ATOM 734 C ASN A 46 16.626 -4.571 11.446 1.00 0.00 C ATOM 735 O ASN A 46 16.743 -3.603 12.199 1.00 0.00 O ATOM 736 CB ASN A 46 17.491 -3.450 9.285 1.00 0.00 C ATOM 737 CG ASN A 46 18.259 -2.247 9.834 1.00 0.00 C ATOM 738 OD1 ASN A 46 19.098 -2.346 10.723 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.001 -1.064 9.304 1.00 0.00 N ATOM 0 H ASN A 46 16.553 -5.621 8.583 1.00 0.00 H new ATOM 0 HA ASN A 46 18.524 -4.838 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.899 -3.709 8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.452 -3.160 9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.499 -0.237 9.635 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.304 -0.978 8.564 1.00 0.00 H new ATOM 746 N GLY A 47 15.707 -5.522 11.682 1.00 0.00 N ATOM 747 CA GLY A 47 14.884 -5.630 12.901 1.00 0.00 C ATOM 748 C GLY A 47 13.560 -4.858 12.879 1.00 0.00 C ATOM 749 O GLY A 47 12.799 -4.932 13.841 1.00 0.00 O ATOM 0 H GLY A 47 15.509 -6.262 11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.666 -6.683 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.474 -5.279 13.748 1.00 0.00 H new ATOM 753 N SER A 48 13.265 -4.128 11.805 1.00 0.00 N ATOM 754 CA SER A 48 11.964 -3.489 11.562 1.00 0.00 C ATOM 755 C SER A 48 10.983 -4.443 10.857 1.00 0.00 C ATOM 756 O SER A 48 11.378 -5.453 10.266 1.00 0.00 O ATOM 757 CB SER A 48 12.177 -2.215 10.735 1.00 0.00 C ATOM 758 OG SER A 48 12.867 -2.492 9.521 1.00 0.00 O ATOM 0 H SER A 48 13.938 -3.958 11.058 1.00 0.00 H new ATOM 0 HA SER A 48 11.518 -3.231 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.212 -1.760 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.744 -1.490 11.320 1.00 0.00 H new ATOM 0 HG SER A 48 12.986 -1.661 9.015 1.00 0.00 H new ATOM 764 N LYS A 49 9.690 -4.122 10.882 1.00 0.00 N ATOM 765 CA LYS A 49 8.624 -4.917 10.262 1.00 0.00 C ATOM 766 C LYS A 49 7.731 -4.046 9.363 1.00 0.00 C ATOM 767 O LYS A 49 7.548 -2.849 9.598 1.00 0.00 O ATOM 768 CB LYS A 49 7.838 -5.659 11.363 1.00 0.00 C ATOM 769 CG LYS A 49 7.003 -6.843 10.843 1.00 0.00 C ATOM 770 CD LYS A 49 6.168 -7.534 11.932 1.00 0.00 C ATOM 771 CE LYS A 49 7.031 -8.074 13.078 1.00 0.00 C ATOM 772 NZ LYS A 49 6.231 -8.865 14.049 1.00 0.00 N ATOM 0 H LYS A 49 9.343 -3.282 11.345 1.00 0.00 H new ATOM 0 HA LYS A 49 9.059 -5.668 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.539 -6.024 12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.176 -4.952 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.337 -6.489 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.670 -7.576 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.441 -6.827 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.605 -8.355 11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.827 -8.697 12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.510 -7.242 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.851 -9.212 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.487 -8.264 14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.794 -9.673 13.562 1.00 0.00 H new ATOM 786 N ASP A 50 7.198 -4.672 8.319 1.00 0.00 N ATOM 787 CA ASP A 50 6.300 -4.090 7.328 1.00 0.00 C ATOM 788 C ASP A 50 4.851 -4.502 7.631 1.00 0.00 C ATOM 789 O ASP A 50 4.614 -5.641 8.028 1.00 0.00 O ATOM 790 CB ASP A 50 6.687 -4.599 5.931 1.00 0.00 C ATOM 791 CG ASP A 50 8.161 -4.417 5.520 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.873 -3.552 6.082 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.607 -5.162 4.615 1.00 0.00 O ATOM 0 H ASP A 50 7.392 -5.656 8.131 1.00 0.00 H new ATOM 0 HA ASP A 50 6.382 -3.004 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.445 -5.660 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.062 -4.090 5.197 1.00 0.00 H new ATOM 798 N TYR A 51 3.886 -3.599 7.432 1.00 0.00 N ATOM 799 CA TYR A 51 2.490 -3.751 7.875 1.00 0.00 C ATOM 800 C TYR A 51 1.460 -3.248 6.847 1.00 0.00 C ATOM 801 O TYR A 51 1.689 -2.262 6.142 1.00 0.00 O ATOM 802 CB TYR A 51 2.297 -2.955 9.178 1.00 0.00 C ATOM 803 CG TYR A 51 3.113 -3.406 10.372 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.420 -2.919 10.552 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.533 -4.227 11.358 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.147 -3.251 11.706 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.252 -4.560 12.521 1.00 0.00 C ATOM 808 CZ TYR A 51 4.564 -4.065 12.702 1.00 0.00 C ATOM 809 OH TYR A 51 5.265 -4.368 13.831 1.00 0.00 O ATOM 0 H TYR A 51 4.055 -2.718 6.946 1.00 0.00 H new ATOM 0 HA TYR A 51 2.317 -4.818 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.534 -1.910 8.978 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.242 -2.996 9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.866 -2.287 9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.530 -4.604 11.221 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.154 -2.883 11.832 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.803 -5.192 13.273 1.00 0.00 H new ATOM 0 HH TYR A 51 4.718 -4.936 14.413 1.00 0.00 H new ATOM 819 N GLY A 52 0.291 -3.895 6.789 1.00 0.00 N ATOM 820 CA GLY A 52 -0.863 -3.422 6.012 1.00 0.00 C ATOM 821 C GLY A 52 -0.747 -3.658 4.512 1.00 0.00 C ATOM 822 O GLY A 52 0.227 -4.228 4.022 1.00 0.00 O ATOM 0 H GLY A 52 0.116 -4.770 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.761 -3.919 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.994 -2.355 6.191 1.00 0.00 H new ATOM 826 N LEU A 53 -1.736 -3.189 3.754 1.00 0.00 N ATOM 827 CA LEU A 53 -1.871 -3.545 2.336 1.00 0.00 C ATOM 828 C LEU A 53 -0.730 -3.068 1.423 1.00 0.00 C ATOM 829 O LEU A 53 -0.475 -3.681 0.388 1.00 0.00 O ATOM 830 CB LEU A 53 -3.229 -3.022 1.823 1.00 0.00 C ATOM 831 CG LEU A 53 -3.870 -4.017 0.845 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.588 -5.114 1.618 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.882 -3.369 -0.088 1.00 0.00 C ATOM 0 H LEU A 53 -2.461 -2.558 4.097 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.815 -4.633 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.899 -2.853 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.089 -2.061 1.329 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.055 -4.417 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.040 -5.816 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.873 -5.641 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.365 -4.671 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.299 -4.125 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.684 -2.921 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.390 -2.597 -0.679 1.00 0.00 H new ATOM 845 N PHE A 54 -0.010 -2.026 1.835 1.00 0.00 N ATOM 846 CA PHE A 54 1.144 -1.482 1.118 1.00 0.00 C ATOM 847 C PHE A 54 2.477 -1.893 1.773 1.00 0.00 C ATOM 848 O PHE A 54 3.521 -1.402 1.352 1.00 0.00 O ATOM 849 CB PHE A 54 0.981 0.044 1.001 1.00 0.00 C ATOM 850 CG PHE A 54 -0.275 0.496 0.274 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.500 0.565 0.964 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.224 0.856 -1.087 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.669 0.972 0.302 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.392 1.282 -1.745 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.614 1.338 -1.053 1.00 0.00 C ATOM 0 H PHE A 54 -0.217 -1.524 2.698 1.00 0.00 H new ATOM 0 HA PHE A 54 1.179 -1.905 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.978 0.473 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.850 0.450 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.541 0.303 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.711 0.805 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.609 1.004 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.350 1.567 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.510 1.662 -1.562 1.00 0.00 H new ATOM 865 N GLN A 55 2.456 -2.766 2.796 1.00 0.00 N ATOM 866 CA GLN A 55 3.630 -3.251 3.533 1.00 0.00 C ATOM 867 C GLN A 55 4.521 -2.084 4.018 1.00 0.00 C ATOM 868 O GLN A 55 5.687 -1.945 3.649 1.00 0.00 O ATOM 869 CB GLN A 55 4.384 -4.314 2.706 1.00 0.00 C ATOM 870 CG GLN A 55 3.611 -5.631 2.542 1.00 0.00 C ATOM 871 CD GLN A 55 3.304 -6.323 3.870 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.142 -6.970 4.482 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.097 -6.199 4.377 1.00 0.00 N ATOM 0 H GLN A 55 1.585 -3.167 3.143 1.00 0.00 H new ATOM 0 HA GLN A 55 3.296 -3.749 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.603 -3.906 1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.341 -4.522 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.675 -5.432 2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.190 -6.308 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.387 -5.662 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.871 -6.639 5.269 1.00 0.00 H new ATOM 882 N ILE A 56 3.932 -1.203 4.829 1.00 0.00 N ATOM 883 CA ILE A 56 4.530 0.054 5.304 1.00 0.00 C ATOM 884 C ILE A 56 5.381 -0.223 6.549 1.00 0.00 C ATOM 885 O ILE A 56 4.945 -0.953 7.437 1.00 0.00 O ATOM 886 CB ILE A 56 3.424 1.105 5.582 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.440 1.194 4.385 1.00 0.00 C ATOM 888 CG2 ILE A 56 4.071 2.468 5.818 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.334 2.250 4.483 1.00 0.00 C ATOM 0 H ILE A 56 2.989 -1.348 5.189 1.00 0.00 H new ATOM 0 HA ILE A 56 5.181 0.466 4.533 1.00 0.00 H new ATOM 0 HB ILE A 56 2.865 0.802 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.019 1.389 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.970 0.219 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.296 3.209 6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.742 2.409 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.637 2.760 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.714 2.212 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.717 2.051 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.783 3.239 4.572 1.00 0.00 H new ATOM 901 N ASN A 57 6.586 0.348 6.625 1.00 0.00 N ATOM 902 CA ASN A 57 7.566 -0.011 7.653 1.00 0.00 C ATOM 903 C ASN A 57 7.561 0.948 8.856 1.00 0.00 C ATOM 904 O ASN A 57 7.503 2.175 8.704 1.00 0.00 O ATOM 905 CB ASN A 57 8.948 -0.093 7.002 1.00 0.00 C ATOM 906 CG ASN A 57 10.007 -0.643 7.948 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.541 0.069 8.784 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.346 -1.910 7.840 1.00 0.00 N ATOM 0 H ASN A 57 6.908 1.069 5.979 1.00 0.00 H new ATOM 0 HA ASN A 57 7.291 -0.982 8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.892 -0.727 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.247 0.900 6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.058 -2.302 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.897 -2.500 7.140 1.00 0.00 H new ATOM 915 N ASP A 58 7.675 0.375 10.058 1.00 0.00 N ATOM 916 CA ASP A 58 7.628 1.085 11.347 1.00 0.00 C ATOM 917 C ASP A 58 8.779 2.078 11.619 1.00 0.00 C ATOM 918 O ASP A 58 8.716 2.867 12.566 1.00 0.00 O ATOM 919 CB ASP A 58 7.522 0.079 12.498 1.00 0.00 C ATOM 920 CG ASP A 58 8.858 -0.604 12.848 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.154 -1.672 12.269 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.602 -0.080 13.710 1.00 0.00 O ATOM 0 H ASP A 58 7.807 -0.630 10.168 1.00 0.00 H new ATOM 0 HA ASP A 58 6.737 1.709 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.143 0.591 13.383 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.791 -0.686 12.235 1.00 0.00 H new ATOM 927 N ARG A 59 9.827 2.051 10.792 1.00 0.00 N ATOM 928 CA ARG A 59 11.007 2.922 10.884 1.00 0.00 C ATOM 929 C ARG A 59 10.978 4.074 9.863 1.00 0.00 C ATOM 930 O ARG A 59 11.847 4.945 9.887 1.00 0.00 O ATOM 931 CB ARG A 59 12.249 2.024 10.747 1.00 0.00 C ATOM 932 CG ARG A 59 13.535 2.659 11.299 1.00 0.00 C ATOM 933 CD ARG A 59 14.672 1.638 11.434 1.00 0.00 C ATOM 934 NE ARG A 59 14.397 0.644 12.491 1.00 0.00 N ATOM 935 CZ ARG A 59 15.070 -0.480 12.705 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.115 -0.818 11.983 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.699 -1.304 13.661 1.00 0.00 N ATOM 0 H ARG A 59 9.881 1.398 10.010 1.00 0.00 H new ATOM 0 HA ARG A 59 11.024 3.429 11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.066 1.084 11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.397 1.782 9.695 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.851 3.468 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.330 3.103 12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.815 1.126 10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.603 2.159 11.659 1.00 0.00 H new ATOM 0 HE ARG A 59 13.615 0.840 13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.433 -0.208 11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.608 -1.690 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.891 -1.080 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.219 -2.166 13.821 1.00 0.00 H new ATOM 951 N TYR A 60 9.967 4.106 8.986 1.00 0.00 N ATOM 952 CA TYR A 60 9.894 5.024 7.837 1.00 0.00 C ATOM 953 C TYR A 60 8.604 5.860 7.757 1.00 0.00 C ATOM 954 O TYR A 60 8.692 7.068 7.522 1.00 0.00 O ATOM 955 CB TYR A 60 10.056 4.217 6.539 1.00 0.00 C ATOM 956 CG TYR A 60 11.466 3.748 6.233 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.020 2.652 6.918 1.00 0.00 C ATOM 958 CD2 TYR A 60 12.219 4.404 5.240 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.327 2.216 6.630 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.527 3.976 4.943 1.00 0.00 C ATOM 961 CZ TYR A 60 14.088 2.881 5.640 1.00 0.00 C ATOM 962 OH TYR A 60 15.354 2.469 5.351 1.00 0.00 O ATOM 0 H TYR A 60 9.161 3.484 9.054 1.00 0.00 H new ATOM 0 HA TYR A 60 10.703 5.741 7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.405 3.344 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.706 4.827 5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.438 2.141 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.791 5.239 4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.748 1.376 7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.102 4.484 4.183 1.00 0.00 H new ATOM 0 HH TYR A 60 15.730 3.037 4.646 1.00 0.00 H new ATOM 972 N TRP A 61 7.422 5.259 7.970 1.00 0.00 N ATOM 973 CA TRP A 61 6.136 5.918 7.664 1.00 0.00 C ATOM 974 C TRP A 61 4.998 5.625 8.660 1.00 0.00 C ATOM 975 O TRP A 61 4.150 6.493 8.865 1.00 0.00 O ATOM 976 CB TRP A 61 5.715 5.509 6.247 1.00 0.00 C ATOM 977 CG TRP A 61 6.695 5.719 5.131 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.318 4.724 4.459 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.132 6.961 4.495 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.123 5.258 3.473 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.031 6.634 3.435 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.818 8.329 4.668 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.582 7.607 2.587 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.353 9.313 3.814 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.235 8.956 2.777 1.00 0.00 C ATOM 0 H TRP A 61 7.327 4.318 8.353 1.00 0.00 H new ATOM 0 HA TRP A 61 6.306 6.992 7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.456 4.450 6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.805 6.055 5.999 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.203 3.670 4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.712 4.705 2.851 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.156 8.624 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.264 7.323 1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.084 10.349 3.956 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.644 9.717 2.129 1.00 0.00 H new ATOM 996 N CYS A 62 4.989 4.463 9.325 1.00 0.00 N ATOM 997 CA CYS A 62 4.096 4.162 10.462 1.00 0.00 C ATOM 998 C CYS A 62 4.858 3.982 11.791 1.00 0.00 C ATOM 999 O CYS A 62 6.080 3.896 11.817 1.00 0.00 O ATOM 1000 CB CYS A 62 3.220 2.951 10.114 1.00 0.00 C ATOM 1001 SG CYS A 62 4.088 1.550 9.365 1.00 0.00 S ATOM 0 H CYS A 62 5.611 3.690 9.088 1.00 0.00 H new ATOM 0 HA CYS A 62 3.449 5.023 10.628 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.728 2.607 11.024 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.435 3.277 9.431 1.00 0.00 H new ATOM 0 HG CYS A 62 3.241 0.595 9.121 1.00 0.00 H new ATOM 1006 N SER A 63 4.147 3.984 12.916 1.00 0.00 N ATOM 1007 CA SER A 63 4.680 3.780 14.277 1.00 0.00 C ATOM 1008 C SER A 63 4.246 2.434 14.875 1.00 0.00 C ATOM 1009 O SER A 63 3.059 2.104 14.870 1.00 0.00 O ATOM 1010 CB SER A 63 4.173 4.895 15.200 1.00 0.00 C ATOM 1011 OG SER A 63 4.746 4.778 16.492 1.00 0.00 O ATOM 0 H SER A 63 3.138 4.134 12.913 1.00 0.00 H new ATOM 0 HA SER A 63 5.767 3.793 14.200 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.421 5.867 14.774 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.087 4.847 15.273 1.00 0.00 H new ATOM 0 HG SER A 63 4.116 5.118 17.161 1.00 0.00 H new ATOM 1017 N LYS A 64 5.187 1.661 15.425 1.00 0.00 N ATOM 1018 CA LYS A 64 4.913 0.371 16.089 1.00 0.00 C ATOM 1019 C LYS A 64 4.517 0.483 17.577 1.00 0.00 C ATOM 1020 O LYS A 64 4.136 -0.521 18.188 1.00 0.00 O ATOM 1021 CB LYS A 64 6.128 -0.559 15.943 1.00 0.00 C ATOM 1022 CG LYS A 64 7.422 0.064 16.496 1.00 0.00 C ATOM 1023 CD LYS A 64 8.453 -1.015 16.822 1.00 0.00 C ATOM 1024 CE LYS A 64 9.781 -0.343 17.180 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.822 -1.337 17.549 1.00 0.00 N ATOM 0 H LYS A 64 6.176 1.912 15.425 1.00 0.00 H new ATOM 0 HA LYS A 64 4.041 -0.042 15.581 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.929 -1.495 16.464 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.269 -0.804 14.890 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.836 0.759 15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.198 0.641 17.393 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.106 -1.629 17.653 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.585 -1.680 15.968 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.128 0.249 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.627 0.347 18.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.706 -0.843 17.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.502 -1.885 18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.988 -1.980 16.748 1.00 0.00 H new ATOM 1039 N GLY A 65 4.664 1.672 18.173 1.00 0.00 N ATOM 1040 CA GLY A 65 4.536 1.899 19.618 1.00 0.00 C ATOM 1041 C GLY A 65 3.084 2.023 20.084 1.00 0.00 C ATOM 1042 O GLY A 65 2.162 1.553 19.420 1.00 0.00 O ATOM 0 H GLY A 65 4.880 2.522 17.653 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.013 1.077 20.152 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.075 2.808 19.885 1.00 0.00 H new ATOM 1046 N ALA A 66 2.878 2.663 21.237 1.00 0.00 N ATOM 1047 CA ALA A 66 1.555 2.859 21.846 1.00 0.00 C ATOM 1048 C ALA A 66 0.744 4.026 21.232 1.00 0.00 C ATOM 1049 O ALA A 66 -0.369 4.307 21.673 1.00 0.00 O ATOM 1050 CB ALA A 66 1.758 3.032 23.359 1.00 0.00 C ATOM 0 H ALA A 66 3.637 3.068 21.785 1.00 0.00 H new ATOM 0 HA ALA A 66 0.945 1.980 21.638 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.792 3.180 23.841 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.234 2.140 23.767 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.392 3.899 23.544 1.00 0.00 H new ATOM 1056 N SER A 67 1.285 4.715 20.225 1.00 0.00 N ATOM 1057 CA SER A 67 0.730 5.958 19.664 1.00 0.00 C ATOM 1058 C SER A 67 1.291 6.236 18.249 1.00 0.00 C ATOM 1059 O SER A 67 2.461 5.912 17.999 1.00 0.00 O ATOM 1060 CB SER A 67 1.074 7.116 20.617 1.00 0.00 C ATOM 1061 OG SER A 67 0.400 8.315 20.264 1.00 0.00 O ATOM 0 H SER A 67 2.144 4.419 19.762 1.00 0.00 H new ATOM 0 HA SER A 67 -0.351 5.859 19.568 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.808 6.837 21.637 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.150 7.288 20.604 1.00 0.00 H new ATOM 0 HG SER A 67 0.644 9.025 20.894 1.00 0.00 H new ATOM 1067 N PRO A 68 0.501 6.819 17.317 1.00 0.00 N ATOM 1068 CA PRO A 68 0.994 7.279 16.016 1.00 0.00 C ATOM 1069 C PRO A 68 1.975 8.453 16.180 1.00 0.00 C ATOM 1070 O PRO A 68 1.942 9.173 17.180 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.255 7.684 15.227 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.236 8.112 16.312 1.00 0.00 C ATOM 1073 CD PRO A 68 -0.919 7.138 17.445 1.00 0.00 C ATOM 0 HA PRO A 68 1.554 6.503 15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.045 8.497 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.645 6.854 14.638 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.082 9.148 16.613 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.271 8.026 15.981 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.132 7.586 18.416 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.529 6.238 17.368 1.00 0.00 H new ATOM 1081 N GLY A 69 2.861 8.650 15.195 1.00 0.00 N ATOM 1082 CA GLY A 69 3.952 9.632 15.305 1.00 0.00 C ATOM 1083 C GLY A 69 5.010 9.497 14.216 1.00 0.00 C ATOM 1084 O GLY A 69 6.112 9.008 14.462 1.00 0.00 O ATOM 0 H GLY A 69 2.845 8.142 14.311 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.530 10.636 15.267 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.430 9.524 16.279 1.00 0.00 H new ATOM 1088 N LYS A 70 4.652 9.944 13.013 1.00 0.00 N ATOM 1089 CA LYS A 70 5.437 9.876 11.769 1.00 0.00 C ATOM 1090 C LYS A 70 5.014 10.995 10.798 1.00 0.00 C ATOM 1091 O LYS A 70 4.024 11.689 11.031 1.00 0.00 O ATOM 1092 CB LYS A 70 5.215 8.493 11.109 1.00 0.00 C ATOM 1093 CG LYS A 70 6.013 7.320 11.687 1.00 0.00 C ATOM 1094 CD LYS A 70 7.528 7.466 11.500 1.00 0.00 C ATOM 1095 CE LYS A 70 8.284 6.141 11.674 1.00 0.00 C ATOM 1096 NZ LYS A 70 8.254 5.645 13.073 1.00 0.00 N ATOM 0 H LYS A 70 3.748 10.393 12.866 1.00 0.00 H new ATOM 0 HA LYS A 70 6.493 10.010 12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.155 8.250 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.455 8.579 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.792 7.229 12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.683 6.396 11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.729 7.865 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.909 8.192 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.847 5.389 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.320 6.274 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.414 4.617 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.000 6.116 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.327 5.854 13.496 1.00 0.00 H new ATOM 1110 N ASP A 71 5.689 11.093 9.649 1.00 0.00 N ATOM 1111 CA ASP A 71 5.311 11.970 8.526 1.00 0.00 C ATOM 1112 C ASP A 71 3.912 11.663 7.949 1.00 0.00 C ATOM 1113 O ASP A 71 3.293 12.536 7.342 1.00 0.00 O ATOM 1114 CB ASP A 71 6.372 11.866 7.421 1.00 0.00 C ATOM 1115 CG ASP A 71 7.729 12.434 7.867 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.961 13.651 7.674 1.00 0.00 O ATOM 1117 OD2 ASP A 71 8.552 11.662 8.413 1.00 0.00 O ATOM 0 H ASP A 71 6.535 10.553 9.465 1.00 0.00 H new ATOM 0 HA ASP A 71 5.262 12.986 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.494 10.822 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.028 12.403 6.537 1.00 0.00 H new ATOM 1122 N CYS A 72 3.389 10.451 8.177 1.00 0.00 N ATOM 1123 CA CYS A 72 2.026 10.037 7.809 1.00 0.00 C ATOM 1124 C CYS A 72 1.062 9.919 9.009 1.00 0.00 C ATOM 1125 O CYS A 72 -0.115 9.626 8.809 1.00 0.00 O ATOM 1126 CB CYS A 72 2.108 8.725 7.023 1.00 0.00 C ATOM 1127 SG CYS A 72 3.198 8.799 5.572 1.00 0.00 S ATOM 0 H CYS A 72 3.917 9.709 8.636 1.00 0.00 H new ATOM 0 HA CYS A 72 1.597 10.824 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.459 7.936 7.688 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.106 8.445 6.698 1.00 0.00 H new ATOM 0 HG CYS A 72 4.366 8.320 5.882 1.00 0.00 H new ATOM 1132 N ASN A 73 1.541 10.144 10.244 1.00 0.00 N ATOM 1133 CA ASN A 73 0.744 10.244 11.477 1.00 0.00 C ATOM 1134 C ASN A 73 -0.206 9.043 11.690 1.00 0.00 C ATOM 1135 O ASN A 73 -1.419 9.203 11.850 1.00 0.00 O ATOM 1136 CB ASN A 73 0.048 11.619 11.525 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.580 11.923 12.887 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.143 11.440 13.926 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.619 12.739 12.921 1.00 0.00 N ATOM 0 H ASN A 73 2.539 10.266 10.417 1.00 0.00 H new ATOM 0 HA ASN A 73 1.415 10.184 12.334 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.773 12.396 11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.725 11.656 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.059 12.968 13.812 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.981 13.140 12.056 1.00 0.00 H new ATOM 1146 N VAL A 74 0.351 7.827 11.654 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.402 6.565 11.652 1.00 0.00 C ATOM 1148 C VAL A 74 0.384 5.438 12.330 1.00 0.00 C ATOM 1149 O VAL A 74 1.609 5.365 12.242 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.844 6.207 10.211 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.332 5.844 9.287 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.880 5.078 10.213 1.00 0.00 C ATOM 0 H VAL A 74 1.361 7.689 11.625 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.306 6.697 12.246 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.299 7.111 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.047 5.604 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.016 6.690 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.860 4.981 9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.171 4.849 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.449 4.190 10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.758 5.391 10.778 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.335 4.570 13.040 1.00 0.00 N ATOM 1163 CA LYS A 75 0.194 3.430 13.796 1.00 0.00 C ATOM 1164 C LYS A 75 0.109 2.129 12.971 1.00 0.00 C ATOM 1165 O LYS A 75 -0.919 1.850 12.357 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.608 3.357 15.112 1.00 0.00 C ATOM 1167 CG LYS A 75 0.162 2.714 16.272 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.568 2.840 17.622 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.753 1.882 17.825 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.064 2.471 17.440 1.00 0.00 N ATOM 0 H LYS A 75 -1.350 4.644 13.109 1.00 0.00 H new ATOM 0 HA LYS A 75 1.253 3.558 14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.907 4.365 15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.523 2.791 14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.326 1.659 16.051 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.144 3.180 16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.153 2.673 18.422 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.929 3.863 17.726 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.584 0.978 17.240 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.792 1.581 18.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.831 1.940 17.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.101 3.465 17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.177 2.421 16.407 1.00 0.00 H new ATOM 1184 N CYS A 76 1.169 1.313 12.968 1.00 0.00 N ATOM 1185 CA CYS A 76 1.276 0.030 12.245 1.00 0.00 C ATOM 1186 C CYS A 76 0.076 -0.913 12.463 1.00 0.00 C ATOM 1187 O CYS A 76 -0.363 -1.581 11.532 1.00 0.00 O ATOM 1188 CB CYS A 76 2.554 -0.678 12.712 1.00 0.00 C ATOM 1189 SG CYS A 76 4.089 0.222 12.430 1.00 0.00 S ATOM 0 H CYS A 76 2.016 1.534 13.491 1.00 0.00 H new ATOM 0 HA CYS A 76 1.296 0.263 11.180 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.465 -0.884 13.779 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.620 -1.641 12.206 1.00 0.00 H new ATOM 0 HG CYS A 76 4.070 0.751 11.243 1.00 0.00 H new ATOM 1194 N SER A 77 -0.486 -0.943 13.673 1.00 0.00 N ATOM 1195 CA SER A 77 -1.641 -1.793 14.010 1.00 0.00 C ATOM 1196 C SER A 77 -2.949 -1.340 13.326 1.00 0.00 C ATOM 1197 O SER A 77 -3.755 -2.177 12.916 1.00 0.00 O ATOM 1198 CB SER A 77 -1.806 -1.841 15.536 1.00 0.00 C ATOM 1199 OG SER A 77 -2.703 -2.868 15.934 1.00 0.00 O ATOM 0 H SER A 77 -0.154 -0.377 14.454 1.00 0.00 H new ATOM 0 HA SER A 77 -1.438 -2.793 13.626 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.835 -2.005 16.002 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.173 -0.879 15.893 1.00 0.00 H new ATOM 0 HG SER A 77 -2.784 -2.872 16.911 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.146 -0.032 13.098 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.295 0.497 12.351 1.00 0.00 C ATOM 1207 C ASP A 78 -4.211 0.201 10.844 1.00 0.00 C ATOM 1208 O ASP A 78 -5.197 0.368 10.131 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.444 2.006 12.604 1.00 0.00 C ATOM 1210 CG ASP A 78 -4.915 2.305 14.032 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.132 2.181 14.304 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.065 2.672 14.876 1.00 0.00 O ATOM 0 H ASP A 78 -2.508 0.692 13.429 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.183 -0.018 12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.488 2.499 12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.156 2.424 11.892 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.066 -0.291 10.352 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.911 -0.749 8.968 1.00 0.00 C ATOM 1219 C LEU A 79 -3.414 -2.192 8.768 1.00 0.00 C ATOM 1220 O LEU A 79 -3.624 -2.609 7.630 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.441 -0.610 8.525 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.731 0.715 8.870 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.660 0.703 8.228 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.497 1.947 8.381 1.00 0.00 C ATOM 0 H LEU A 79 -2.216 -0.382 10.909 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.533 -0.112 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.873 -1.426 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.398 -0.747 7.444 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.671 0.785 9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.177 1.634 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.233 -0.138 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.561 0.605 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.948 2.848 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.606 1.902 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.484 1.969 8.844 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.639 -2.940 9.860 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.054 -4.353 9.861 1.00 0.00 C ATOM 1238 C LEU A 80 -5.582 -4.539 9.992 1.00 0.00 C ATOM 1239 O LEU A 80 -6.048 -5.656 10.242 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.310 -5.109 10.985 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.773 -4.996 10.990 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.226 -5.789 12.185 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.136 -5.503 9.688 1.00 0.00 C ATOM 0 H LEU A 80 -3.533 -2.564 10.802 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.784 -4.771 8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.682 -4.747 11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.574 -6.164 10.919 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.514 -3.941 11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.138 -5.718 12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.631 -5.378 13.110 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.520 -6.835 12.093 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.053 -5.399 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.392 -6.552 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.510 -4.918 8.848 1.00 0.00 H new ATOM 1255 N THR A 81 -6.355 -3.451 9.884 1.00 0.00 N ATOM 1256 CA THR A 81 -7.796 -3.386 10.187 1.00 0.00 C ATOM 1257 C THR A 81 -8.677 -3.688 8.966 1.00 0.00 C ATOM 1258 O THR A 81 -8.193 -4.155 7.935 1.00 0.00 O ATOM 1259 CB THR A 81 -8.077 -2.050 10.897 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.311 -2.140 11.573 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.095 -0.837 9.966 1.00 0.00 C ATOM 0 H THR A 81 -5.982 -2.555 9.571 1.00 0.00 H new ATOM 0 HA THR A 81 -8.078 -4.185 10.873 1.00 0.00 H new ATOM 0 HB THR A 81 -7.251 -1.887 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.496 -1.293 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.300 0.063 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.126 -0.741 9.475 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.872 -0.968 9.213 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.985 -3.476 9.098 1.00 0.00 N ATOM 1270 CA ASP A 82 -11.033 -3.836 8.126 1.00 0.00 C ATOM 1271 C ASP A 82 -11.369 -2.746 7.089 1.00 0.00 C ATOM 1272 O ASP A 82 -12.261 -2.907 6.255 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.287 -4.287 8.882 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.118 -3.131 9.469 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.633 -2.448 10.403 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.275 -2.935 9.025 1.00 0.00 O ATOM 0 H ASP A 82 -10.370 -3.025 9.928 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.628 -4.653 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.917 -4.866 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.990 -4.954 9.691 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.620 -1.650 7.129 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.597 -0.588 6.120 1.00 0.00 C ATOM 1283 C ASP A 83 -9.142 -0.202 5.822 1.00 0.00 C ATOM 1284 O ASP A 83 -8.366 0.148 6.713 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.436 0.625 6.561 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.684 1.646 5.429 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.891 1.708 4.458 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.683 2.397 5.533 1.00 0.00 O ATOM 0 H ASP A 83 -9.980 -1.465 7.902 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.053 -0.958 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.396 0.274 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.931 1.126 7.387 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.776 -0.274 4.542 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.417 -0.037 4.041 1.00 0.00 C ATOM 1295 C ILE A 84 -6.989 1.435 4.132 1.00 0.00 C ATOM 1296 O ILE A 84 -5.803 1.715 3.974 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.276 -0.578 2.594 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.981 0.332 1.568 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.828 -2.009 2.498 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.743 -0.030 0.102 1.00 0.00 C ATOM 0 H ILE A 84 -9.436 -0.506 3.800 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.736 -0.585 4.692 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.213 -0.587 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.053 0.308 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.651 1.358 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.721 -2.372 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.273 -2.659 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.882 -2.012 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.281 0.669 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.677 0.024 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.101 -1.042 -0.086 1.00 0.00 H new ATOM 1312 N THR A 85 -7.927 2.370 4.354 1.00 0.00 N ATOM 1313 CA THR A 85 -7.725 3.831 4.263 1.00 0.00 C ATOM 1314 C THR A 85 -6.577 4.355 5.120 1.00 0.00 C ATOM 1315 O THR A 85 -5.852 5.251 4.693 1.00 0.00 O ATOM 1316 CB THR A 85 -9.046 4.552 4.545 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.921 5.914 4.216 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.505 4.445 5.999 1.00 0.00 C ATOM 0 H THR A 85 -8.883 2.124 4.611 1.00 0.00 H new ATOM 0 HA THR A 85 -7.413 4.051 3.242 1.00 0.00 H new ATOM 0 HB THR A 85 -9.798 4.059 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.768 6.373 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.447 4.979 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.646 3.396 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.750 4.883 6.652 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.323 3.741 6.278 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.191 4.089 7.148 1.00 0.00 C ATOM 1328 C LYS A 86 -3.832 3.840 6.464 1.00 0.00 C ATOM 1329 O LYS A 86 -2.889 4.613 6.646 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.306 3.292 8.462 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.649 3.434 9.205 1.00 0.00 C ATOM 1332 CD LYS A 86 -6.979 4.879 9.606 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.269 4.902 10.437 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.634 6.279 10.859 1.00 0.00 N ATOM 0 H LYS A 86 -6.899 2.983 6.643 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.234 5.157 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.141 2.237 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.505 3.608 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.448 3.050 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.627 2.813 10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.157 5.304 10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.097 5.496 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.084 4.474 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.144 4.274 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.511 6.250 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.868 6.679 11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.779 6.873 10.018 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.745 2.799 5.629 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.577 2.484 4.807 1.00 0.00 C ATOM 1350 C ALA A 87 -2.617 3.225 3.462 1.00 0.00 C ATOM 1351 O ALA A 87 -1.590 3.719 3.008 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.517 0.959 4.630 1.00 0.00 C ATOM 0 H ALA A 87 -4.509 2.135 5.505 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.668 2.825 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.653 0.697 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.429 0.483 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.427 0.614 4.139 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.797 3.364 2.854 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.968 3.971 1.538 1.00 0.00 C ATOM 1360 C ALA A 88 -3.701 5.486 1.529 1.00 0.00 C ATOM 1361 O ALA A 88 -3.018 5.984 0.640 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.370 3.614 1.033 1.00 0.00 C ATOM 0 H ALA A 88 -4.674 3.052 3.272 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.218 3.568 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.526 4.056 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.467 2.531 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.116 4.001 1.727 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.143 6.232 2.544 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.821 7.662 2.672 1.00 0.00 C ATOM 1370 C LYS A 89 -2.345 7.902 3.032 1.00 0.00 C ATOM 1371 O LYS A 89 -1.738 8.871 2.570 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.759 8.299 3.704 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.200 8.392 3.175 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.130 9.024 4.219 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.568 9.168 3.699 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.700 10.217 2.652 1.00 0.00 N ATOM 0 H LYS A 89 -4.729 5.870 3.296 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.974 8.135 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.745 7.711 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.399 9.296 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.218 8.985 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.561 7.397 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.131 8.412 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.746 10.005 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.900 8.212 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.229 9.408 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.693 10.283 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.394 11.133 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.105 9.969 1.836 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.734 6.979 3.782 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.286 6.956 4.023 1.00 0.00 C ATOM 1392 C CYS A 90 0.480 6.683 2.718 1.00 0.00 C ATOM 1393 O CYS A 90 1.453 7.372 2.417 1.00 0.00 O ATOM 1394 CB CYS A 90 0.005 5.928 5.126 1.00 0.00 C ATOM 1395 SG CYS A 90 1.747 5.694 5.554 1.00 0.00 S ATOM 0 H CYS A 90 -2.235 6.220 4.243 1.00 0.00 H new ATOM 0 HA CYS A 90 0.064 7.929 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.532 6.228 6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.405 4.967 4.816 1.00 0.00 H new ATOM 0 HG CYS A 90 2.380 6.823 5.429 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.025 5.781 1.871 1.00 0.00 N ATOM 1401 CA ALA A 91 0.510 5.514 0.540 1.00 0.00 C ATOM 1402 C ALA A 91 0.466 6.746 -0.381 1.00 0.00 C ATOM 1403 O ALA A 91 1.450 6.990 -1.073 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.223 4.306 -0.049 1.00 0.00 C ATOM 0 H ALA A 91 -0.835 5.205 2.100 1.00 0.00 H new ATOM 0 HA ALA A 91 1.571 5.278 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.166 4.094 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.069 3.439 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.289 4.524 -0.115 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.575 7.595 -0.335 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.555 8.882 -1.056 1.00 0.00 C ATOM 1412 C LYS A 92 0.541 9.833 -0.534 1.00 0.00 C ATOM 1413 O LYS A 92 1.238 10.468 -1.325 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.918 9.592 -0.997 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.159 8.760 -1.336 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.120 7.876 -2.591 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.707 8.560 -3.907 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.633 9.647 -4.320 1.00 0.00 N ATOM 0 H LYS A 92 -1.433 7.417 0.188 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.328 8.635 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.046 9.994 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.885 10.442 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.372 8.117 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.001 9.445 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.431 7.052 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.109 7.439 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.703 8.970 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.660 7.812 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.359 9.998 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.605 9.279 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.583 10.425 -3.632 1.00 0.00 H new ATOM 1432 N LYS A 93 0.738 9.904 0.789 1.00 0.00 N ATOM 1433 CA LYS A 93 1.801 10.715 1.414 1.00 0.00 C ATOM 1434 C LYS A 93 3.220 10.177 1.121 1.00 0.00 C ATOM 1435 O LYS A 93 4.180 10.946 1.120 1.00 0.00 O ATOM 1436 CB LYS A 93 1.498 10.864 2.919 1.00 0.00 C ATOM 1437 CG LYS A 93 2.456 11.780 3.710 1.00 0.00 C ATOM 1438 CD LYS A 93 2.542 13.213 3.154 1.00 0.00 C ATOM 1439 CE LYS A 93 3.447 14.133 3.990 1.00 0.00 C ATOM 1440 NZ LYS A 93 2.859 14.480 5.311 1.00 0.00 N ATOM 0 H LYS A 93 0.163 9.399 1.463 1.00 0.00 H new ATOM 0 HA LYS A 93 1.799 11.708 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.484 11.248 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.515 9.873 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.129 11.822 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.452 11.338 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.917 13.177 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.540 13.640 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.410 13.645 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.640 15.049 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.269 15.374 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.829 14.586 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.068 13.723 5.993 1.00 0.00 H new ATOM 1454 N ILE A 94 3.357 8.890 0.791 1.00 0.00 N ATOM 1455 CA ILE A 94 4.600 8.309 0.249 1.00 0.00 C ATOM 1456 C ILE A 94 4.750 8.690 -1.232 1.00 0.00 C ATOM 1457 O ILE A 94 5.788 9.218 -1.624 1.00 0.00 O ATOM 1458 CB ILE A 94 4.630 6.778 0.469 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.652 6.437 1.975 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.866 6.178 -0.226 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.371 4.964 2.303 1.00 0.00 C ATOM 0 H ILE A 94 2.603 8.210 0.892 1.00 0.00 H new ATOM 0 HA ILE A 94 5.456 8.719 0.785 1.00 0.00 H new ATOM 0 HB ILE A 94 3.726 6.348 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.628 6.706 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.914 7.056 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.884 5.100 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.821 6.388 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.770 6.621 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.407 4.818 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.383 4.691 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.123 4.335 1.827 1.00 0.00 H new ATOM 1473 N TYR A 95 3.707 8.502 -2.047 1.00 0.00 N ATOM 1474 CA TYR A 95 3.690 8.818 -3.486 1.00 0.00 C ATOM 1475 C TYR A 95 4.020 10.289 -3.810 1.00 0.00 C ATOM 1476 O TYR A 95 4.624 10.577 -4.844 1.00 0.00 O ATOM 1477 CB TYR A 95 2.352 8.344 -4.091 1.00 0.00 C ATOM 1478 CG TYR A 95 1.764 9.162 -5.229 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.052 10.347 -4.951 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.886 8.721 -6.561 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.486 11.101 -5.998 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.338 9.477 -7.614 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.631 10.667 -7.337 1.00 0.00 C ATOM 1484 OH TYR A 95 0.091 11.390 -8.359 1.00 0.00 O ATOM 0 H TYR A 95 2.823 8.114 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 95 4.504 8.270 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.488 7.323 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.615 8.307 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.940 10.679 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.403 7.797 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.057 12.008 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.459 9.146 -8.635 1.00 0.00 H new ATOM 0 HH TYR A 95 0.287 10.948 -9.211 1.00 0.00 H new ATOM 1494 N LYS A 96 3.726 11.215 -2.893 1.00 0.00 N ATOM 1495 CA LYS A 96 4.105 12.618 -2.913 1.00 0.00 C ATOM 1496 C LYS A 96 5.631 12.862 -2.981 1.00 0.00 C ATOM 1497 O LYS A 96 6.059 13.918 -3.454 1.00 0.00 O ATOM 1498 CB LYS A 96 3.470 13.133 -1.613 1.00 0.00 C ATOM 1499 CG LYS A 96 3.736 14.586 -1.253 1.00 0.00 C ATOM 1500 CD LYS A 96 3.247 15.614 -2.287 1.00 0.00 C ATOM 1501 CE LYS A 96 1.718 15.597 -2.440 1.00 0.00 C ATOM 1502 NZ LYS A 96 1.248 16.644 -3.385 1.00 0.00 N ATOM 0 H LYS A 96 3.180 10.982 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 96 3.762 13.136 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.391 12.991 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.822 12.509 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.259 14.800 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.809 14.719 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.570 16.611 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.710 15.406 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.399 14.617 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.253 15.751 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.212 16.602 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.531 17.581 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.672 16.483 -4.321 1.00 0.00 H new ATOM 1516 N ARG A 97 6.445 11.898 -2.527 1.00 0.00 N ATOM 1517 CA ARG A 97 7.919 11.924 -2.554 1.00 0.00 C ATOM 1518 C ARG A 97 8.517 10.822 -3.445 1.00 0.00 C ATOM 1519 O ARG A 97 9.533 11.040 -4.103 1.00 0.00 O ATOM 1520 CB ARG A 97 8.460 11.789 -1.117 1.00 0.00 C ATOM 1521 CG ARG A 97 7.948 12.851 -0.124 1.00 0.00 C ATOM 1522 CD ARG A 97 8.253 14.291 -0.560 1.00 0.00 C ATOM 1523 NE ARG A 97 7.731 15.262 0.419 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.245 16.472 0.159 1.00 0.00 C ATOM 1525 NH1 ARG A 97 7.157 16.949 -1.066 1.00 0.00 N ATOM 1526 NH2 ARG A 97 6.832 17.232 1.150 1.00 0.00 N ATOM 0 H ARG A 97 6.080 11.040 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 97 8.221 12.878 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.197 10.802 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.548 11.838 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.871 12.736 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.398 12.672 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.330 14.422 -0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.809 14.480 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 97 7.744 14.976 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.468 16.385 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.778 17.883 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.886 16.892 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.458 18.161 0.958 1.00 0.00 H new ATOM 1540 N HIS A 98 7.864 9.659 -3.499 1.00 0.00 N ATOM 1541 CA HIS A 98 8.297 8.438 -4.187 1.00 0.00 C ATOM 1542 C HIS A 98 7.078 7.704 -4.786 1.00 0.00 C ATOM 1543 O HIS A 98 6.550 6.771 -4.175 1.00 0.00 O ATOM 1544 CB HIS A 98 9.061 7.550 -3.185 1.00 0.00 C ATOM 1545 CG HIS A 98 10.344 8.144 -2.674 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.542 8.225 -3.388 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.528 8.682 -1.433 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.416 8.818 -2.559 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.838 9.103 -1.377 1.00 0.00 N ATOM 0 H HIS A 98 6.964 9.536 -3.036 1.00 0.00 H new ATOM 0 HA HIS A 98 8.963 8.686 -5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.410 7.340 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.282 6.595 -3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.790 8.762 -0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.444 9.037 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.291 9.552 -0.581 1.00 0.00 H new ATOM 1557 N ARG A 99 6.616 8.150 -5.968 1.00 0.00 N ATOM 1558 CA ARG A 99 5.362 7.726 -6.628 1.00 0.00 C ATOM 1559 C ARG A 99 5.091 6.210 -6.552 1.00 0.00 C ATOM 1560 O ARG A 99 3.996 5.803 -6.169 1.00 0.00 O ATOM 1561 CB ARG A 99 5.214 8.253 -8.068 1.00 0.00 C ATOM 1562 CG ARG A 99 6.288 7.815 -9.070 1.00 0.00 C ATOM 1563 CD ARG A 99 7.514 8.727 -9.004 1.00 0.00 C ATOM 1564 NE ARG A 99 8.705 8.062 -9.548 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.161 8.007 -10.787 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.584 8.639 -11.788 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.234 7.282 -11.006 1.00 0.00 N ATOM 0 H ARG A 99 7.125 8.845 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 99 4.584 8.205 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.243 7.937 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.204 9.342 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.585 6.787 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.875 7.830 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.319 9.642 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.698 9.018 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 99 9.270 7.563 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.749 9.201 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.972 8.567 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.682 6.788 -10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.619 7.213 -11.948 1.00 0.00 H new ATOM 1581 N PHE A 100 6.119 5.400 -6.827 1.00 0.00 N ATOM 1582 CA PHE A 100 6.145 3.943 -6.649 1.00 0.00 C ATOM 1583 C PHE A 100 7.516 3.425 -6.159 1.00 0.00 C ATOM 1584 O PHE A 100 7.684 2.234 -5.904 1.00 0.00 O ATOM 1585 CB PHE A 100 5.809 3.259 -7.979 1.00 0.00 C ATOM 1586 CG PHE A 100 4.519 3.681 -8.644 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.289 3.410 -8.016 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.544 4.336 -9.890 1.00 0.00 C ATOM 1589 CE1 PHE A 100 2.089 3.804 -8.625 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.340 4.724 -10.502 1.00 0.00 C ATOM 1591 CZ PHE A 100 2.115 4.459 -9.869 1.00 0.00 C ATOM 0 H PHE A 100 6.999 5.760 -7.198 1.00 0.00 H new ATOM 0 HA PHE A 100 5.406 3.703 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.628 3.443 -8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.770 2.183 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.269 2.899 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.487 4.540 -10.375 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.145 3.605 -8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.357 5.226 -11.458 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.190 4.759 -10.339 1.00 0.00 H new ATOM 1601 N ASP A 101 8.508 4.312 -6.027 1.00 0.00 N ATOM 1602 CA ASP A 101 9.927 4.001 -5.827 1.00 0.00 C ATOM 1603 C ASP A 101 10.254 3.475 -4.417 1.00 0.00 C ATOM 1604 O ASP A 101 11.310 2.875 -4.213 1.00 0.00 O ATOM 1605 CB ASP A 101 10.777 5.254 -6.138 1.00 0.00 C ATOM 1606 CG ASP A 101 10.230 6.122 -7.284 1.00 0.00 C ATOM 1607 OD1 ASP A 101 9.194 6.793 -7.062 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.807 6.135 -8.396 1.00 0.00 O ATOM 0 H ASP A 101 8.334 5.317 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 101 10.171 3.191 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.847 5.864 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.790 4.939 -6.388 1.00 0.00 H new ATOM 1613 N ALA A 102 9.337 3.662 -3.462 1.00 0.00 N ATOM 1614 CA ALA A 102 9.431 3.146 -2.095 1.00 0.00 C ATOM 1615 C ALA A 102 9.084 1.643 -1.979 1.00 0.00 C ATOM 1616 O ALA A 102 9.300 1.049 -0.920 1.00 0.00 O ATOM 1617 CB ALA A 102 8.520 4.007 -1.210 1.00 0.00 C ATOM 0 H ALA A 102 8.482 4.194 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 102 10.467 3.214 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.567 3.648 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.851 5.045 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.494 3.941 -1.571 1.00 0.00 H new ATOM 1623 N TRP A 103 8.572 1.025 -3.053 1.00 0.00 N ATOM 1624 CA TRP A 103 8.068 -0.351 -3.068 1.00 0.00 C ATOM 1625 C TRP A 103 8.818 -1.252 -4.051 1.00 0.00 C ATOM 1626 O TRP A 103 8.774 -1.073 -5.270 1.00 0.00 O ATOM 1627 CB TRP A 103 6.572 -0.323 -3.386 1.00 0.00 C ATOM 1628 CG TRP A 103 5.719 0.305 -2.331 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.283 -0.317 -1.216 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.160 1.654 -2.273 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.467 0.531 -0.500 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.308 1.745 -1.132 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.259 2.796 -3.092 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.535 2.885 -0.861 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.497 3.948 -2.831 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.617 3.986 -1.733 1.00 0.00 C ATOM 0 H TRP A 103 8.496 1.484 -3.961 1.00 0.00 H new ATOM 0 HA TRP A 103 8.237 -0.783 -2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.424 0.216 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.230 -1.345 -3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.536 -1.327 -0.928 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.033 0.289 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.933 2.786 -3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.888 2.916 0.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.587 4.809 -3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.006 4.859 -1.560 1.00 0.00 H new ATOM 1647 N TYR A 104 9.460 -2.279 -3.496 1.00 0.00 N ATOM 1648 CA TYR A 104 10.055 -3.396 -4.230 1.00 0.00 C ATOM 1649 C TYR A 104 9.015 -4.145 -5.085 1.00 0.00 C ATOM 1650 O TYR A 104 9.292 -4.482 -6.237 1.00 0.00 O ATOM 1651 CB TYR A 104 10.695 -4.327 -3.194 1.00 0.00 C ATOM 1652 CG TYR A 104 10.976 -5.726 -3.699 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.072 -5.973 -4.547 1.00 0.00 C ATOM 1654 CD2 TYR A 104 10.103 -6.771 -3.346 1.00 0.00 C ATOM 1655 CE1 TYR A 104 12.313 -7.277 -5.021 1.00 0.00 C ATOM 1656 CE2 TYR A 104 10.337 -8.077 -3.818 1.00 0.00 C ATOM 1657 CZ TYR A 104 11.448 -8.335 -4.653 1.00 0.00 C ATOM 1658 OH TYR A 104 11.689 -9.597 -5.106 1.00 0.00 O ATOM 0 H TYR A 104 9.585 -2.359 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 104 10.803 -3.025 -4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.630 -3.883 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.038 -4.392 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.727 -5.164 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.252 -6.571 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.158 -7.470 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.669 -8.880 -3.543 1.00 0.00 H new ATOM 0 HH TYR A 104 11.002 -10.205 -4.761 1.00 0.00 H new ATOM 1668 N GLY A 105 7.801 -4.334 -4.555 1.00 0.00 N ATOM 1669 CA GLY A 105 6.697 -5.043 -5.215 1.00 0.00 C ATOM 1670 C GLY A 105 6.122 -4.326 -6.437 1.00 0.00 C ATOM 1671 O GLY A 105 5.298 -4.900 -7.140 1.00 0.00 O ATOM 0 H GLY A 105 7.552 -3.988 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.046 -6.030 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.897 -5.198 -4.491 1.00 0.00 H new ATOM 1675 N TRP A 106 6.557 -3.095 -6.719 1.00 0.00 N ATOM 1676 CA TRP A 106 6.291 -2.433 -7.992 1.00 0.00 C ATOM 1677 C TRP A 106 7.455 -2.704 -8.957 1.00 0.00 C ATOM 1678 O TRP A 106 7.292 -3.428 -9.940 1.00 0.00 O ATOM 1679 CB TRP A 106 6.025 -0.944 -7.756 1.00 0.00 C ATOM 1680 CG TRP A 106 5.921 -0.135 -9.009 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.831 0.001 -9.796 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.970 0.646 -9.648 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.151 0.768 -10.900 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.465 1.189 -10.864 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.301 0.953 -9.301 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.264 1.964 -11.718 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.122 1.701 -10.161 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.606 2.209 -11.369 1.00 0.00 C ATOM 0 H TRP A 106 7.104 -2.531 -6.068 1.00 0.00 H new ATOM 0 HA TRP A 106 5.392 -2.835 -8.459 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.100 -0.837 -7.190 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.826 -0.536 -7.139 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.859 -0.424 -9.593 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.497 0.995 -11.649 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.697 0.607 -8.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.855 2.368 -12.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.152 1.887 -9.895 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.239 2.786 -12.027 1.00 0.00 H new ATOM 1699 N LYS A 107 8.654 -2.190 -8.653 1.00 0.00 N ATOM 1700 CA LYS A 107 9.817 -2.232 -9.559 1.00 0.00 C ATOM 1701 C LYS A 107 10.246 -3.650 -9.982 1.00 0.00 C ATOM 1702 O LYS A 107 10.756 -3.818 -11.089 1.00 0.00 O ATOM 1703 CB LYS A 107 10.991 -1.431 -8.952 1.00 0.00 C ATOM 1704 CG LYS A 107 11.441 -1.945 -7.578 1.00 0.00 C ATOM 1705 CD LYS A 107 12.533 -1.092 -6.921 1.00 0.00 C ATOM 1706 CE LYS A 107 11.962 0.227 -6.378 1.00 0.00 C ATOM 1707 NZ LYS A 107 12.980 0.993 -5.612 1.00 0.00 N ATOM 0 H LYS A 107 8.849 -1.729 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 107 9.500 -1.758 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.837 -1.466 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.698 -0.385 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.577 -1.984 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.807 -2.966 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.995 -1.652 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.317 -0.879 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.597 0.834 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.106 0.016 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.510 1.734 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.490 0.350 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.654 1.431 -6.272 1.00 0.00 H new ATOM 1721 N ASN A 108 9.988 -4.672 -9.158 1.00 0.00 N ATOM 1722 CA ASN A 108 10.371 -6.062 -9.427 1.00 0.00 C ATOM 1723 C ASN A 108 9.590 -6.733 -10.582 1.00 0.00 C ATOM 1724 O ASN A 108 10.077 -7.713 -11.147 1.00 0.00 O ATOM 1725 CB ASN A 108 10.221 -6.860 -8.121 1.00 0.00 C ATOM 1726 CG ASN A 108 10.730 -8.294 -8.246 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.907 -8.538 -8.480 1.00 0.00 O ATOM 1728 ND2 ASN A 108 9.857 -9.277 -8.104 1.00 0.00 N ATOM 0 H ASN A 108 9.499 -4.554 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 108 11.406 -6.056 -9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.767 -6.353 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.171 -6.875 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.162 -10.246 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.878 -9.066 -7.909 1.00 0.00 H new ATOM 1735 N HIS A 109 8.406 -6.223 -10.962 1.00 0.00 N ATOM 1736 CA HIS A 109 7.542 -6.878 -11.969 1.00 0.00 C ATOM 1737 C HIS A 109 6.629 -5.948 -12.807 1.00 0.00 C ATOM 1738 O HIS A 109 6.282 -6.290 -13.941 1.00 0.00 O ATOM 1739 CB HIS A 109 6.759 -8.025 -11.292 1.00 0.00 C ATOM 1740 CG HIS A 109 5.488 -7.640 -10.587 1.00 0.00 C ATOM 1741 ND1 HIS A 109 4.297 -8.365 -10.651 1.00 0.00 N ATOM 1742 CD2 HIS A 109 5.326 -6.591 -9.734 1.00 0.00 C ATOM 1743 CE1 HIS A 109 3.446 -7.727 -9.834 1.00 0.00 C ATOM 1744 NE2 HIS A 109 4.031 -6.650 -9.283 1.00 0.00 N ATOM 0 H HIS A 109 8.021 -5.356 -10.587 1.00 0.00 H new ATOM 0 HA HIS A 109 8.216 -7.273 -12.729 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.517 -8.769 -12.051 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.417 -8.509 -10.570 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.071 -5.856 -9.465 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.429 -8.037 -9.645 1.00 0.00 H new ATOM 0 HE2 HIS A 109 3.590 -5.991 -8.641 1.00 0.00 H new ATOM 1752 N CYS A 110 6.317 -4.736 -12.328 1.00 0.00 N ATOM 1753 CA CYS A 110 5.474 -3.757 -13.038 1.00 0.00 C ATOM 1754 C CYS A 110 6.127 -3.165 -14.298 1.00 0.00 C ATOM 1755 O CYS A 110 5.422 -2.672 -15.178 1.00 0.00 O ATOM 1756 CB CYS A 110 5.088 -2.636 -12.067 1.00 0.00 C ATOM 1757 SG CYS A 110 3.990 -3.173 -10.731 1.00 0.00 S ATOM 0 H CYS A 110 6.647 -4.401 -11.423 1.00 0.00 H new ATOM 0 HA CYS A 110 4.592 -4.293 -13.388 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.995 -2.216 -11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.602 -1.836 -12.625 1.00 0.00 H new ATOM 0 HG CYS A 110 3.143 -4.046 -11.190 1.00 0.00 H new ATOM 1762 N GLN A 111 7.459 -3.248 -14.417 1.00 0.00 N ATOM 1763 CA GLN A 111 8.187 -2.854 -15.631 1.00 0.00 C ATOM 1764 C GLN A 111 8.049 -3.874 -16.780 1.00 0.00 C ATOM 1765 O GLN A 111 8.309 -3.531 -17.935 1.00 0.00 O ATOM 1766 CB GLN A 111 9.658 -2.557 -15.301 1.00 0.00 C ATOM 1767 CG GLN A 111 10.510 -3.795 -14.975 1.00 0.00 C ATOM 1768 CD GLN A 111 11.937 -3.373 -14.633 1.00 0.00 C ATOM 1769 OE1 GLN A 111 12.843 -3.378 -15.459 1.00 0.00 O ATOM 1770 NE2 GLN A 111 12.177 -2.956 -13.410 1.00 0.00 N ATOM 0 H GLN A 111 8.064 -3.592 -13.671 1.00 0.00 H new ATOM 0 HA GLN A 111 7.724 -1.939 -15.999 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.107 -2.037 -16.147 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.694 -1.875 -14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.072 -4.337 -14.137 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.518 -4.476 -15.826 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.428 -2.949 -12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.112 -2.639 -13.153 1.00 0.00 H new ATOM 1779 N GLY A 112 7.631 -5.113 -16.478 1.00 0.00 N ATOM 1780 CA GLY A 112 7.385 -6.177 -17.459 1.00 0.00 C ATOM 1781 C GLY A 112 5.928 -6.203 -17.918 1.00 0.00 C ATOM 1782 O GLY A 112 5.659 -6.109 -19.115 1.00 0.00 O ATOM 0 H GLY A 112 7.450 -5.409 -15.519 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.035 -6.032 -18.322 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.645 -7.141 -17.022 1.00 0.00 H new ATOM 1786 N SER A 113 4.991 -6.293 -16.970 1.00 0.00 N ATOM 1787 CA SER A 113 3.551 -6.454 -17.235 1.00 0.00 C ATOM 1788 C SER A 113 2.687 -5.882 -16.097 1.00 0.00 C ATOM 1789 O SER A 113 3.005 -6.059 -14.918 1.00 0.00 O ATOM 1790 CB SER A 113 3.197 -7.946 -17.393 1.00 0.00 C ATOM 1791 OG SER A 113 3.790 -8.537 -18.544 1.00 0.00 O ATOM 0 H SER A 113 5.213 -6.256 -15.975 1.00 0.00 H new ATOM 0 HA SER A 113 3.341 -5.906 -18.154 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.522 -8.487 -16.505 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.114 -8.053 -17.453 1.00 0.00 H new ATOM 0 HG SER A 113 3.535 -9.482 -18.595 1.00 0.00 H new ATOM 1797 N LEU A 114 1.568 -5.233 -16.448 1.00 0.00 N ATOM 1798 CA LEU A 114 0.510 -4.807 -15.524 1.00 0.00 C ATOM 1799 C LEU A 114 -0.814 -5.548 -15.814 1.00 0.00 C ATOM 1800 O LEU A 114 -1.085 -5.859 -16.981 1.00 0.00 O ATOM 1801 CB LEU A 114 0.313 -3.291 -15.673 1.00 0.00 C ATOM 1802 CG LEU A 114 1.507 -2.432 -15.213 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.231 -0.976 -15.590 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.733 -2.541 -13.699 1.00 0.00 C ATOM 0 H LEU A 114 1.369 -4.982 -17.416 1.00 0.00 H new ATOM 0 HA LEU A 114 0.805 -5.049 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.106 -3.068 -16.720 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.568 -2.996 -15.103 1.00 0.00 H new ATOM 0 HG LEU A 114 2.409 -2.794 -15.706 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.067 -0.353 -15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.110 -0.897 -16.670 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.319 -0.639 -15.097 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.583 -1.922 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.842 -2.200 -13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.935 -3.579 -13.435 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.668 -5.787 -14.798 1.00 0.00 N ATOM 1817 CA PRO A 115 -2.974 -6.414 -14.965 1.00 0.00 C ATOM 1818 C PRO A 115 -3.978 -5.447 -15.601 1.00 0.00 C ATOM 1819 O PRO A 115 -3.805 -4.230 -15.552 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.410 -6.803 -13.552 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.781 -5.718 -12.682 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.461 -5.443 -13.399 1.00 0.00 C ATOM 0 HA PRO A 115 -2.926 -7.276 -15.631 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.496 -6.818 -13.455 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.052 -7.796 -13.279 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.407 -4.827 -12.628 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.624 -6.059 -11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.175 -4.396 -13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.655 -6.038 -12.969 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.049 -5.995 -16.177 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.188 -5.222 -16.683 1.00 0.00 C ATOM 1832 C ASP A 116 -7.145 -4.790 -15.553 1.00 0.00 C ATOM 1833 O ASP A 116 -7.324 -5.485 -14.548 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.921 -6.037 -17.764 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.102 -5.283 -18.408 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.038 -4.036 -18.525 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.094 -5.948 -18.789 1.00 0.00 O ATOM 0 H ASP A 116 -5.153 -7.001 -16.308 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.809 -4.302 -17.128 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.210 -6.315 -18.542 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.289 -6.963 -17.322 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.786 -3.637 -15.755 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.774 -3.013 -14.860 1.00 0.00 C ATOM 1844 C ILE A 117 -10.047 -2.548 -15.589 1.00 0.00 C ATOM 1845 O ILE A 117 -10.974 -2.069 -14.943 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.136 -1.828 -14.098 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.659 -0.746 -15.097 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.011 -2.310 -13.162 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.270 0.564 -14.425 1.00 0.00 C ATOM 0 H ILE A 117 -7.623 -3.079 -16.593 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.081 -3.785 -14.154 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.890 -1.370 -13.458 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.804 -1.128 -15.655 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.452 -0.554 -15.820 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.581 -1.455 -12.640 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.419 -3.012 -12.435 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.236 -2.804 -13.749 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -6.945 1.279 -15.181 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.129 0.968 -13.890 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.456 0.385 -13.722 1.00 0.00 H new ATOM 1861 N SER A 118 -10.128 -2.661 -16.916 1.00 0.00 N ATOM 1862 CA SER A 118 -11.271 -2.157 -17.703 1.00 0.00 C ATOM 1863 C SER A 118 -12.577 -2.955 -17.494 1.00 0.00 C ATOM 1864 O SER A 118 -13.650 -2.528 -17.924 1.00 0.00 O ATOM 1865 CB SER A 118 -10.905 -2.112 -19.195 1.00 0.00 C ATOM 1866 OG SER A 118 -9.832 -1.205 -19.429 1.00 0.00 O ATOM 0 H SER A 118 -9.405 -3.104 -17.483 1.00 0.00 H new ATOM 0 HA SER A 118 -11.474 -1.151 -17.336 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.624 -3.109 -19.535 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.775 -1.810 -19.778 1.00 0.00 H new ATOM 0 HG SER A 118 -9.615 -1.194 -20.385 1.00 0.00 H new ATOM 1872 N SER A 119 -12.514 -4.092 -16.800 1.00 0.00 N ATOM 1873 CA SER A 119 -13.664 -4.872 -16.323 1.00 0.00 C ATOM 1874 C SER A 119 -14.228 -4.387 -14.968 1.00 0.00 C ATOM 1875 O SER A 119 -15.309 -4.828 -14.560 1.00 0.00 O ATOM 1876 CB SER A 119 -13.236 -6.342 -16.210 1.00 0.00 C ATOM 1877 OG SER A 119 -12.048 -6.484 -15.434 1.00 0.00 O ATOM 0 H SER A 119 -11.623 -4.516 -16.542 1.00 0.00 H new ATOM 0 HA SER A 119 -14.469 -4.742 -17.046 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.040 -6.922 -15.756 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.072 -6.751 -17.207 1.00 0.00 H new ATOM 0 HG SER A 119 -11.804 -7.432 -15.380 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.518 -3.486 -14.275 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.837 -2.985 -12.933 1.00 0.00 C ATOM 1885 C CYS A 120 -14.638 -1.666 -12.976 1.00 0.00 C ATOM 1886 O CYS A 120 -14.149 -0.664 -13.547 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.527 -2.820 -12.147 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.430 -4.265 -12.119 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.734 -1.619 -12.375 1.00 0.00 O ATOM 0 H CYS A 120 -12.667 -3.068 -14.653 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.479 -3.708 -12.431 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -11.977 -1.979 -12.569 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.774 -2.556 -11.119 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.087 -5.300 -11.688 1.00 0.00 H new TER 1894 CYS A 120