USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=40 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 119 SER OG : rot 180:sc= 0.0149 USER MOD Set 1.2: A 120 CYS SG : rot 140:sc= -0.207 USER MOD Set 2.1: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 108 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.58) USER MOD Set 3.1: A 72 CYS SG : rot 106:sc= 0.925 USER MOD Set 3.2: A 90 CYS SG : rot 39:sc= 0.342 USER MOD Set 4.1: A 63 SER OG : rot 180:sc= 0.4 USER MOD Set 4.2: A 70 LYS NZ :NH3+ -151:sc= 0.425 (180deg=0) USER MOD Set 5.1: A 62 CYS SG : rot 170:sc= 1.07 USER MOD Set 5.2: A 76 CYS SG : rot -44:sc= 0.714 USER MOD Set 6.1: A 44 ASN : amide:sc= 0.941 K(o=2.9,f=2) USER MOD Set 6.2: A 48 SER OG : rot 180:sc= 0.307 USER MOD Set 6.3: A 57 ASN : amide:sc= 1.65 K(o=2.9,f=-3.4!) USER MOD Set 7.1: A 43 THR OG1 : rot 180:sc= 0.695 USER MOD Set 7.2: A 49 LYS NZ :NH3+ 173:sc= 0.78 (180deg=0) USER MOD Set 8.1: A 42 ASN : amide:sc= 0.92 K(o=3.4,f=1.7) USER MOD Set 8.2: A 55 GLN : amide:sc= 2.52 K(o=3.4,f=-0.48) USER MOD Set 9.1: A 35 SER OG : rot -170:sc= 0.514 USER MOD Set 9.2: A 40 LYS NZ :NH3+ 178:sc= 0.531 (180deg=-0.0111) USER MOD Set10.1: A 28 CYS SG : rot -86:sc= 0.874 USER MOD Set10.2: A 110 CYS SG : rot 180:sc= 0.179 USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0.926 (180deg=0.921) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.927 (180deg=0.38) USER MOD Single : A 16 HIS : no HD1:sc= 0.101 K(o=0.1,f=-2.7!) USER MOD Single : A 21 ASN : amide:sc= 1.15 K(o=1.2,f=-0.00065) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.148 (180deg=-3.73!) USER MOD Single : A 25 ASN : amide:sc= 0.167 K(o=0.17,f=-1.1) USER MOD Single : A 32 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-6.9!) USER MOD Single : A 34 SER OG : rot -117:sc= 0.999 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.806 USER MOD Single : A 39 SER OG : rot 180:sc= -0.519 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.65 K(o=0.65,f=-2.7!) 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 73 ASN : amide:sc= -0.0367 K(o=-0.037,f=-0.81) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 1.17 (180deg=0.289) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 83:sc= 0.545 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 1 (180deg=0.904) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.89 (180deg=0.76) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.17) 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= -0.0903 X(o=-0.09,f=-0.09) USER MOD Single : A 107 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.23) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.78 K(o=1.8,f=-0.026) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -63:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.691 -7.390 10.199 1.00 0.00 N ATOM 2 CA GLY A 1 -8.145 -7.442 8.832 1.00 0.00 C ATOM 3 C GLY A 1 -8.806 -8.531 8.000 1.00 0.00 C ATOM 4 O GLY A 1 -9.358 -9.501 8.524 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.192 -6.659 10.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.705 -7.161 10.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.562 -8.314 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.288 -6.477 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.071 -7.620 8.876 1.00 0.00 H new ATOM 10 N LYS A 2 -8.729 -8.362 6.682 1.00 0.00 N ATOM 11 CA LYS A 2 -9.354 -9.168 5.627 1.00 0.00 C ATOM 12 C LYS A 2 -8.620 -9.035 4.271 1.00 0.00 C ATOM 13 O LYS A 2 -7.863 -8.078 4.051 1.00 0.00 O ATOM 14 CB LYS A 2 -10.839 -8.763 5.501 1.00 0.00 C ATOM 15 CG LYS A 2 -11.039 -7.308 5.028 1.00 0.00 C ATOM 16 CD LYS A 2 -12.514 -6.928 4.844 1.00 0.00 C ATOM 17 CE LYS A 2 -13.135 -7.642 3.634 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.544 -7.222 3.413 1.00 0.00 N ATOM 0 H LYS A 2 -8.184 -7.595 6.288 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.282 -10.219 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.333 -9.436 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.327 -8.894 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.584 -6.632 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.513 -7.164 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.072 -7.185 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.599 -5.849 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.547 -7.426 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.096 -8.720 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.931 -7.724 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.111 -7.451 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.578 -6.197 3.241 1.00 0.00 H new ATOM 32 N THR A 3 -8.913 -9.956 3.344 1.00 0.00 N ATOM 33 CA THR A 3 -8.376 -9.986 1.972 1.00 0.00 C ATOM 34 C THR A 3 -9.407 -9.457 0.979 1.00 0.00 C ATOM 35 O THR A 3 -10.592 -9.775 1.076 1.00 0.00 O ATOM 36 CB THR A 3 -7.919 -11.401 1.590 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.141 -11.938 2.638 1.00 0.00 O ATOM 38 CG2 THR A 3 -7.046 -11.393 0.333 1.00 0.00 C ATOM 0 H THR A 3 -9.552 -10.728 3.532 1.00 0.00 H new ATOM 0 HA THR A 3 -7.503 -9.334 1.935 1.00 0.00 H new ATOM 0 HB THR A 3 -8.814 -11.995 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.849 -12.842 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.742 -12.412 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.613 -10.979 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.160 -10.782 0.509 1.00 0.00 H new ATOM 46 N PHE A 4 -8.939 -8.658 0.021 1.00 0.00 N ATOM 47 CA PHE A 4 -9.716 -8.045 -1.057 1.00 0.00 C ATOM 48 C PHE A 4 -9.485 -8.799 -2.378 1.00 0.00 C ATOM 49 O PHE A 4 -8.433 -9.406 -2.600 1.00 0.00 O ATOM 50 CB PHE A 4 -9.330 -6.551 -1.184 1.00 0.00 C ATOM 51 CG PHE A 4 -9.772 -5.680 -0.013 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.149 -5.802 1.248 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.824 -4.754 -0.172 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.617 -5.063 2.348 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.288 -4.013 0.930 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.697 -4.179 2.194 1.00 0.00 C ATOM 0 H PHE A 4 -7.952 -8.407 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.779 -8.109 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.247 -6.476 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.766 -6.153 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.307 -6.468 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.275 -4.613 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.145 -5.175 3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.102 -3.314 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.072 -3.629 3.044 1.00 0.00 H new ATOM 66 N THR A 5 -10.466 -8.718 -3.279 1.00 0.00 N ATOM 67 CA THR A 5 -10.371 -9.170 -4.682 1.00 0.00 C ATOM 68 C THR A 5 -10.006 -7.979 -5.563 1.00 0.00 C ATOM 69 O THR A 5 -10.200 -6.841 -5.138 1.00 0.00 O ATOM 70 CB THR A 5 -11.658 -9.886 -5.111 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.446 -10.408 -6.403 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.897 -8.987 -5.142 1.00 0.00 C ATOM 0 H THR A 5 -11.380 -8.325 -3.052 1.00 0.00 H new ATOM 0 HA THR A 5 -9.578 -9.910 -4.793 1.00 0.00 H new ATOM 0 HB THR A 5 -11.861 -10.658 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.254 -10.874 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.762 -9.571 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.075 -8.579 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.736 -8.170 -5.846 1.00 0.00 H new ATOM 80 N ARG A 6 -9.471 -8.198 -6.769 1.00 0.00 N ATOM 81 CA ARG A 6 -8.951 -7.111 -7.618 1.00 0.00 C ATOM 82 C ARG A 6 -10.012 -6.038 -7.896 1.00 0.00 C ATOM 83 O ARG A 6 -9.760 -4.859 -7.657 1.00 0.00 O ATOM 84 CB ARG A 6 -8.350 -7.671 -8.917 1.00 0.00 C ATOM 85 CG ARG A 6 -7.591 -6.577 -9.693 1.00 0.00 C ATOM 86 CD ARG A 6 -6.880 -7.124 -10.934 1.00 0.00 C ATOM 87 NE ARG A 6 -5.766 -8.019 -10.568 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.372 -9.119 -11.193 1.00 0.00 C ATOM 89 NH1 ARG A 6 -6.004 -9.606 -12.243 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.304 -9.745 -10.759 1.00 0.00 N ATOM 0 H ARG A 6 -9.385 -9.125 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.151 -6.618 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.672 -8.492 -8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.144 -8.080 -9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.291 -5.797 -9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.858 -6.111 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.594 -7.665 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.501 -6.295 -11.532 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.236 -7.761 -9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.832 -9.132 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.665 -10.456 -12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.793 -9.383 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.985 -10.593 -11.227 1.00 0.00 H new ATOM 104 N CYS A 7 -11.222 -6.421 -8.314 1.00 0.00 N ATOM 105 CA CYS A 7 -12.316 -5.464 -8.557 1.00 0.00 C ATOM 106 C CYS A 7 -12.769 -4.723 -7.287 1.00 0.00 C ATOM 107 O CYS A 7 -13.098 -3.540 -7.357 1.00 0.00 O ATOM 108 CB CYS A 7 -13.486 -6.167 -9.259 1.00 0.00 C ATOM 109 SG CYS A 7 -14.268 -7.516 -8.332 1.00 0.00 S ATOM 0 H CYS A 7 -11.474 -7.393 -8.493 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.927 -4.689 -9.217 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.247 -5.422 -9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.129 -6.564 -10.209 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.239 -8.020 -9.035 1.00 0.00 H new ATOM 114 N GLY A 8 -12.680 -5.368 -6.117 1.00 0.00 N ATOM 115 CA GLY A 8 -12.943 -4.750 -4.813 1.00 0.00 C ATOM 116 C GLY A 8 -11.862 -3.735 -4.448 1.00 0.00 C ATOM 117 O GLY A 8 -12.185 -2.614 -4.070 1.00 0.00 O ATOM 0 H GLY A 8 -12.418 -6.352 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.915 -4.257 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.992 -5.523 -4.046 1.00 0.00 H new ATOM 121 N LEU A 9 -10.585 -4.087 -4.629 1.00 0.00 N ATOM 122 CA LEU A 9 -9.435 -3.209 -4.436 1.00 0.00 C ATOM 123 C LEU A 9 -9.467 -2.014 -5.395 1.00 0.00 C ATOM 124 O LEU A 9 -9.387 -0.885 -4.921 1.00 0.00 O ATOM 125 CB LEU A 9 -8.157 -4.063 -4.566 1.00 0.00 C ATOM 126 CG LEU A 9 -6.875 -3.254 -4.318 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.865 -2.654 -2.908 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.645 -4.141 -4.530 1.00 0.00 C ATOM 0 H LEU A 9 -10.318 -5.026 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.458 -2.765 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.203 -4.889 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.118 -4.501 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.846 -2.431 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.946 -2.087 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.723 -1.992 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.919 -3.455 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.741 -3.558 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.678 -4.981 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.639 -4.516 -5.553 1.00 0.00 H new ATOM 140 N VAL A 10 -9.663 -2.235 -6.699 1.00 0.00 N ATOM 141 CA VAL A 10 -9.844 -1.165 -7.704 1.00 0.00 C ATOM 142 C VAL A 10 -10.899 -0.151 -7.229 1.00 0.00 C ATOM 143 O VAL A 10 -10.663 1.053 -7.250 1.00 0.00 O ATOM 144 CB VAL A 10 -10.242 -1.746 -9.088 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.759 -0.676 -10.061 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.065 -2.459 -9.772 1.00 0.00 C ATOM 0 H VAL A 10 -9.702 -3.173 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.888 -0.654 -7.817 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.042 -2.454 -8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.021 -1.143 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.641 -0.195 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.983 0.071 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.388 -2.850 -10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.249 -1.752 -9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.723 -3.281 -9.143 1.00 0.00 H new ATOM 156 N HIS A 11 -12.044 -0.634 -6.737 1.00 0.00 N ATOM 157 CA HIS A 11 -13.133 0.209 -6.222 1.00 0.00 C ATOM 158 C HIS A 11 -12.776 0.937 -4.913 1.00 0.00 C ATOM 159 O HIS A 11 -13.062 2.125 -4.773 1.00 0.00 O ATOM 160 CB HIS A 11 -14.391 -0.649 -6.018 1.00 0.00 C ATOM 161 CG HIS A 11 -15.099 -1.093 -7.275 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.355 -1.708 -7.287 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.665 -0.951 -8.566 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.640 -1.930 -8.579 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.648 -1.487 -9.369 1.00 0.00 N ATOM 0 H HIS A 11 -12.245 -1.633 -6.684 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.314 0.984 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.114 -1.536 -5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.096 -0.085 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.736 -0.507 -8.891 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.544 -2.401 -8.936 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.626 -1.539 -10.387 1.00 0.00 H new ATOM 173 N GLU A 12 -12.130 0.251 -3.969 1.00 0.00 N ATOM 174 CA GLU A 12 -11.732 0.810 -2.673 1.00 0.00 C ATOM 175 C GLU A 12 -10.718 1.948 -2.846 1.00 0.00 C ATOM 176 O GLU A 12 -10.850 3.004 -2.234 1.00 0.00 O ATOM 177 CB GLU A 12 -11.182 -0.326 -1.790 1.00 0.00 C ATOM 178 CG GLU A 12 -11.437 -0.141 -0.293 1.00 0.00 C ATOM 179 CD GLU A 12 -12.939 -0.092 0.036 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.581 -1.165 0.124 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.491 1.021 0.198 1.00 0.00 O ATOM 0 H GLU A 12 -11.863 -0.727 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.600 1.248 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.630 -1.267 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.108 -0.411 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.972 -0.959 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.962 0.780 0.044 1.00 0.00 H new ATOM 188 N LEU A 13 -9.761 1.788 -3.761 1.00 0.00 N ATOM 189 CA LEU A 13 -8.776 2.819 -4.096 1.00 0.00 C ATOM 190 C LEU A 13 -9.401 3.978 -4.882 1.00 0.00 C ATOM 191 O LEU A 13 -9.098 5.137 -4.603 1.00 0.00 O ATOM 192 CB LEU A 13 -7.639 2.162 -4.883 1.00 0.00 C ATOM 193 CG LEU A 13 -6.903 1.047 -4.128 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.926 0.373 -5.092 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.149 1.546 -2.894 1.00 0.00 C ATOM 0 H LEU A 13 -9.646 0.928 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.387 3.254 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.044 1.751 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.918 2.930 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.653 0.344 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.393 -0.423 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.477 -0.048 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.211 1.109 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.652 0.707 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.405 2.284 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.852 2.004 -2.198 1.00 0.00 H new ATOM 207 N ARG A 14 -10.320 3.691 -5.813 1.00 0.00 N ATOM 208 CA ARG A 14 -11.107 4.732 -6.506 1.00 0.00 C ATOM 209 C ARG A 14 -11.891 5.612 -5.514 1.00 0.00 C ATOM 210 O ARG A 14 -11.912 6.835 -5.662 1.00 0.00 O ATOM 211 CB ARG A 14 -12.072 4.109 -7.529 1.00 0.00 C ATOM 212 CG ARG A 14 -11.396 3.711 -8.850 1.00 0.00 C ATOM 213 CD ARG A 14 -12.354 2.845 -9.675 1.00 0.00 C ATOM 214 NE ARG A 14 -11.806 2.501 -10.997 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.364 1.654 -11.858 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.538 1.104 -11.636 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.751 1.319 -12.971 1.00 0.00 N ATOM 0 H ARG A 14 -10.541 2.740 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.395 5.367 -7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.536 3.227 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.872 4.818 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.120 4.603 -9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.475 3.163 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.574 1.929 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.298 3.374 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.931 2.946 -11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.050 1.323 -10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.936 0.459 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.834 1.710 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.193 0.668 -13.620 1.00 0.00 H new ATOM 231 N LYS A 15 -12.482 5.019 -4.470 1.00 0.00 N ATOM 232 CA LYS A 15 -13.140 5.748 -3.370 1.00 0.00 C ATOM 233 C LYS A 15 -12.140 6.540 -2.505 1.00 0.00 C ATOM 234 O LYS A 15 -12.442 7.651 -2.065 1.00 0.00 O ATOM 235 CB LYS A 15 -13.921 4.750 -2.494 1.00 0.00 C ATOM 236 CG LYS A 15 -15.168 4.174 -3.183 1.00 0.00 C ATOM 237 CD LYS A 15 -15.726 2.916 -2.493 1.00 0.00 C ATOM 238 CE LYS A 15 -16.278 3.139 -1.073 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.219 3.170 -0.030 1.00 0.00 N ATOM 0 H LYS A 15 -12.519 4.006 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.820 6.475 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.260 3.930 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.222 5.247 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.944 4.939 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.923 3.933 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.521 2.503 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.936 2.166 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.830 4.078 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.988 2.346 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.643 2.983 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.505 2.443 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.767 4.106 -0.022 1.00 0.00 H new ATOM 253 N HIS A 16 -10.937 5.999 -2.298 1.00 0.00 N ATOM 254 CA HIS A 16 -9.890 6.566 -1.436 1.00 0.00 C ATOM 255 C HIS A 16 -8.953 7.577 -2.144 1.00 0.00 C ATOM 256 O HIS A 16 -7.998 8.068 -1.536 1.00 0.00 O ATOM 257 CB HIS A 16 -9.135 5.406 -0.758 1.00 0.00 C ATOM 258 CG HIS A 16 -9.973 4.590 0.206 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.333 4.762 0.506 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.497 3.555 0.952 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.629 3.803 1.398 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.550 3.066 1.691 1.00 0.00 N ATOM 0 H HIS A 16 -10.653 5.125 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.372 7.179 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.743 4.744 -1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.278 5.812 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.482 3.186 0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.609 3.646 1.824 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.515 2.283 2.344 1.00 0.00 H new ATOM 270 N GLY A 17 -9.230 7.925 -3.411 1.00 0.00 N ATOM 271 CA GLY A 17 -8.570 9.021 -4.141 1.00 0.00 C ATOM 272 C GLY A 17 -7.352 8.602 -4.964 1.00 0.00 C ATOM 273 O GLY A 17 -6.412 9.388 -5.099 1.00 0.00 O ATOM 0 H GLY A 17 -9.934 7.442 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.298 9.485 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.262 9.782 -3.424 1.00 0.00 H new ATOM 277 N PHE A 18 -7.343 7.383 -5.506 1.00 0.00 N ATOM 278 CA PHE A 18 -6.300 6.872 -6.400 1.00 0.00 C ATOM 279 C PHE A 18 -6.757 7.024 -7.861 1.00 0.00 C ATOM 280 O PHE A 18 -7.886 6.664 -8.204 1.00 0.00 O ATOM 281 CB PHE A 18 -6.007 5.405 -6.061 1.00 0.00 C ATOM 282 CG PHE A 18 -5.324 5.163 -4.722 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.979 5.458 -3.511 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.025 4.626 -4.681 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.325 5.270 -2.286 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.376 4.410 -3.453 1.00 0.00 C ATOM 287 CZ PHE A 18 -4.025 4.739 -2.251 1.00 0.00 C ATOM 0 H PHE A 18 -8.083 6.703 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.382 7.444 -6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.947 4.853 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.381 4.987 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.992 5.832 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.521 4.377 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.823 5.535 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.380 3.992 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.527 4.584 -1.305 1.00 0.00 H new ATOM 297 N GLU A 19 -5.891 7.568 -8.720 1.00 0.00 N ATOM 298 CA GLU A 19 -6.200 7.848 -10.123 1.00 0.00 C ATOM 299 C GLU A 19 -6.455 6.578 -10.948 1.00 0.00 C ATOM 300 O GLU A 19 -5.708 5.602 -10.853 1.00 0.00 O ATOM 301 CB GLU A 19 -5.052 8.663 -10.751 1.00 0.00 C ATOM 302 CG GLU A 19 -5.546 10.003 -11.296 1.00 0.00 C ATOM 303 CD GLU A 19 -6.607 9.831 -12.396 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.370 9.038 -13.336 1.00 0.00 O ATOM 305 OE2 GLU A 19 -7.683 10.465 -12.302 1.00 0.00 O ATOM 0 H GLU A 19 -4.941 7.830 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.126 8.422 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.277 8.837 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.595 8.088 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.964 10.592 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.701 10.564 -11.694 1.00 0.00 H new ATOM 312 N GLU A 20 -7.472 6.607 -11.812 1.00 0.00 N ATOM 313 CA GLU A 20 -7.811 5.491 -12.701 1.00 0.00 C ATOM 314 C GLU A 20 -6.692 5.158 -13.705 1.00 0.00 C ATOM 315 O GLU A 20 -6.518 3.988 -14.048 1.00 0.00 O ATOM 316 CB GLU A 20 -9.160 5.734 -13.402 1.00 0.00 C ATOM 317 CG GLU A 20 -9.194 6.958 -14.329 1.00 0.00 C ATOM 318 CD GLU A 20 -10.566 7.092 -15.007 1.00 0.00 C ATOM 319 OE1 GLU A 20 -11.485 7.703 -14.411 1.00 0.00 O ATOM 320 OE2 GLU A 20 -10.735 6.592 -16.145 1.00 0.00 O ATOM 0 H GLU A 20 -8.089 7.412 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.914 4.608 -12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.416 4.848 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.933 5.850 -12.642 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.977 7.860 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.416 6.867 -15.087 1.00 0.00 H new ATOM 327 N ASN A 21 -5.874 6.139 -14.118 1.00 0.00 N ATOM 328 CA ASN A 21 -4.718 5.888 -14.993 1.00 0.00 C ATOM 329 C ASN A 21 -3.521 5.240 -14.259 1.00 0.00 C ATOM 330 O ASN A 21 -2.625 4.691 -14.906 1.00 0.00 O ATOM 331 CB ASN A 21 -4.325 7.167 -15.758 1.00 0.00 C ATOM 332 CG ASN A 21 -3.287 8.033 -15.049 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.091 7.929 -15.294 1.00 0.00 O ATOM 334 ND2 ASN A 21 -3.701 8.912 -14.159 1.00 0.00 N ATOM 0 H ASN A 21 -5.993 7.118 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.029 5.144 -15.726 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.937 6.885 -16.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.221 7.763 -15.929 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.026 9.505 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.696 9.000 -13.954 1.00 0.00 H new ATOM 341 N LEU A 22 -3.520 5.268 -12.918 1.00 0.00 N ATOM 342 CA LEU A 22 -2.499 4.657 -12.054 1.00 0.00 C ATOM 343 C LEU A 22 -2.979 3.354 -11.396 1.00 0.00 C ATOM 344 O LEU A 22 -2.162 2.605 -10.866 1.00 0.00 O ATOM 345 CB LEU A 22 -2.081 5.667 -10.967 1.00 0.00 C ATOM 346 CG LEU A 22 -1.517 7.012 -11.469 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.097 7.856 -10.258 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.326 6.854 -12.426 1.00 0.00 C ATOM 0 H LEU A 22 -4.256 5.733 -12.387 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.648 4.399 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.947 5.872 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.330 5.196 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.307 7.503 -12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.696 8.810 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.963 8.034 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.333 7.324 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.021 7.838 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.483 6.329 -11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.635 6.282 -13.301 1.00 0.00 H new ATOM 360 N MET A 23 -4.283 3.065 -11.429 1.00 0.00 N ATOM 361 CA MET A 23 -4.920 1.940 -10.729 1.00 0.00 C ATOM 362 C MET A 23 -4.253 0.589 -11.034 1.00 0.00 C ATOM 363 O MET A 23 -3.951 -0.166 -10.107 1.00 0.00 O ATOM 364 CB MET A 23 -6.418 1.968 -11.079 1.00 0.00 C ATOM 365 CG MET A 23 -7.306 1.150 -10.132 1.00 0.00 C ATOM 366 SD MET A 23 -7.205 1.635 -8.394 1.00 0.00 S ATOM 367 CE MET A 23 -7.676 3.374 -8.550 1.00 0.00 C ATOM 0 H MET A 23 -4.949 3.625 -11.961 1.00 0.00 H new ATOM 0 HA MET A 23 -4.793 2.054 -9.652 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.760 3.003 -11.075 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.548 1.593 -12.094 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.342 1.238 -10.460 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.033 0.098 -10.218 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.223 3.684 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.780 3.985 -8.657 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.309 3.502 -9.428 1.00 0.00 H new ATOM 377 N ARG A 24 -3.914 0.323 -12.305 1.00 0.00 N ATOM 378 CA ARG A 24 -3.172 -0.876 -12.732 1.00 0.00 C ATOM 379 C ARG A 24 -1.831 -1.029 -11.998 1.00 0.00 C ATOM 380 O ARG A 24 -1.548 -2.095 -11.453 1.00 0.00 O ATOM 381 CB ARG A 24 -2.925 -0.854 -14.252 1.00 0.00 C ATOM 382 CG ARG A 24 -4.221 -0.772 -15.071 1.00 0.00 C ATOM 383 CD ARG A 24 -3.973 -0.883 -16.579 1.00 0.00 C ATOM 384 NE ARG A 24 -3.610 -2.257 -16.965 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.207 -2.666 -18.161 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.055 -1.835 -19.170 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.950 -3.940 -18.359 1.00 0.00 N ATOM 0 H ARG A 24 -4.151 0.944 -13.078 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.795 -1.733 -12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.292 -0.002 -14.499 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.377 -1.752 -14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.895 -1.569 -14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.722 0.172 -14.857 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.868 -0.576 -17.120 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.175 -0.199 -16.869 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.675 -2.968 -16.237 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.249 -0.841 -19.046 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.743 -2.185 -20.076 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.061 -4.607 -17.596 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.640 -4.261 -19.276 1.00 0.00 H new ATOM 401 N ASN A 25 -1.033 0.043 -11.926 1.00 0.00 N ATOM 402 CA ASN A 25 0.233 0.064 -11.183 1.00 0.00 C ATOM 403 C ASN A 25 -0.012 -0.197 -9.692 1.00 0.00 C ATOM 404 O ASN A 25 0.642 -1.057 -9.105 1.00 0.00 O ATOM 405 CB ASN A 25 0.962 1.414 -11.346 1.00 0.00 C ATOM 406 CG ASN A 25 1.492 1.709 -12.746 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.925 1.324 -13.760 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.606 2.413 -12.836 1.00 0.00 N ATOM 0 H ASN A 25 -1.249 0.928 -12.385 1.00 0.00 H new ATOM 0 HA ASN A 25 0.861 -0.725 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.278 2.213 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.797 1.443 -10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.995 2.637 -13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.077 2.733 -11.990 1.00 0.00 H new ATOM 415 N TRP A 26 -0.992 0.493 -9.092 1.00 0.00 N ATOM 416 CA TRP A 26 -1.305 0.387 -7.670 1.00 0.00 C ATOM 417 C TRP A 26 -1.770 -1.019 -7.275 1.00 0.00 C ATOM 418 O TRP A 26 -1.188 -1.600 -6.356 1.00 0.00 O ATOM 419 CB TRP A 26 -2.329 1.464 -7.288 1.00 0.00 C ATOM 420 CG TRP A 26 -1.758 2.832 -7.069 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.031 3.941 -7.794 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.857 3.268 -6.004 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.391 5.032 -7.236 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.688 4.682 -6.100 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.189 2.613 -4.945 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.049 5.416 -5.157 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.575 3.335 -4.008 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.682 4.734 -4.103 1.00 0.00 C ATOM 0 H TRP A 26 -1.594 1.147 -9.592 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.389 0.560 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.082 1.523 -8.074 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.841 1.151 -6.378 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.655 3.970 -8.675 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.433 5.978 -7.616 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.266 1.540 -4.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.129 6.490 -5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.082 2.811 -3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.250 5.284 -3.367 1.00 0.00 H new ATOM 439 N VAL A 27 -2.741 -1.613 -7.982 1.00 0.00 N ATOM 440 CA VAL A 27 -3.213 -2.967 -7.629 1.00 0.00 C ATOM 441 C VAL A 27 -2.133 -4.026 -7.859 1.00 0.00 C ATOM 442 O VAL A 27 -2.006 -4.938 -7.051 1.00 0.00 O ATOM 443 CB VAL A 27 -4.538 -3.402 -8.294 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.635 -2.355 -8.069 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.403 -3.742 -9.785 1.00 0.00 C ATOM 0 H VAL A 27 -3.209 -1.192 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.431 -2.893 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.825 -4.331 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.557 -2.686 -8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.805 -2.230 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.324 -1.403 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.375 -4.038 -10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.042 -2.867 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.696 -4.562 -9.909 1.00 0.00 H new ATOM 455 N CYS A 28 -1.298 -3.883 -8.898 1.00 0.00 N ATOM 456 CA CYS A 28 -0.219 -4.837 -9.178 1.00 0.00 C ATOM 457 C CYS A 28 0.912 -4.756 -8.140 1.00 0.00 C ATOM 458 O CYS A 28 1.423 -5.783 -7.694 1.00 0.00 O ATOM 459 CB CYS A 28 0.282 -4.596 -10.602 1.00 0.00 C ATOM 460 SG CYS A 28 1.235 -5.974 -11.291 1.00 0.00 S ATOM 0 H CYS A 28 -1.351 -3.110 -9.561 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.606 -5.853 -9.101 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.573 -4.400 -11.249 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.901 -3.699 -10.611 1.00 0.00 H new ATOM 0 HG CYS A 28 2.480 -5.863 -10.933 1.00 0.00 H new ATOM 465 N LEU A 29 1.221 -3.541 -7.672 1.00 0.00 N ATOM 466 CA LEU A 29 2.137 -3.268 -6.562 1.00 0.00 C ATOM 467 C LEU A 29 1.593 -3.863 -5.252 1.00 0.00 C ATOM 468 O LEU A 29 2.266 -4.648 -4.588 1.00 0.00 O ATOM 469 CB LEU A 29 2.366 -1.743 -6.533 1.00 0.00 C ATOM 470 CG LEU A 29 3.414 -1.192 -5.548 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.648 0.288 -5.877 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.995 -1.328 -4.081 1.00 0.00 C ATOM 0 H LEU A 29 0.824 -2.691 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 29 3.105 -3.752 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.652 -1.428 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.412 -1.265 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 29 4.324 -1.780 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.388 0.701 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.011 0.380 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.712 0.836 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.777 -0.921 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.068 -0.779 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.841 -2.380 -3.843 1.00 0.00 H new ATOM 484 N VAL A 30 0.340 -3.557 -4.910 1.00 0.00 N ATOM 485 CA VAL A 30 -0.335 -4.105 -3.718 1.00 0.00 C ATOM 486 C VAL A 30 -0.379 -5.642 -3.743 1.00 0.00 C ATOM 487 O VAL A 30 -0.156 -6.279 -2.713 1.00 0.00 O ATOM 488 CB VAL A 30 -1.753 -3.508 -3.584 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.640 -4.293 -2.612 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.667 -2.050 -3.109 1.00 0.00 C ATOM 0 H VAL A 30 -0.244 -2.919 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 30 0.246 -3.818 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.209 -3.566 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.624 -3.826 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.744 -5.320 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.184 -4.292 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.672 -1.637 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.169 -2.012 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.099 -1.465 -3.832 1.00 0.00 H new ATOM 500 N GLU A 31 -0.607 -6.241 -4.916 1.00 0.00 N ATOM 501 CA GLU A 31 -0.622 -7.695 -5.084 1.00 0.00 C ATOM 502 C GLU A 31 0.765 -8.335 -4.882 1.00 0.00 C ATOM 503 O GLU A 31 0.830 -9.480 -4.435 1.00 0.00 O ATOM 504 CB GLU A 31 -1.184 -8.067 -6.468 1.00 0.00 C ATOM 505 CG GLU A 31 -2.718 -7.990 -6.506 1.00 0.00 C ATOM 506 CD GLU A 31 -3.315 -8.113 -7.912 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.632 -8.545 -8.865 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.529 -7.845 -8.056 1.00 0.00 O ATOM 0 H GLU A 31 -0.787 -5.727 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.272 -8.096 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.769 -7.396 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.865 -9.076 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.127 -8.782 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.035 -7.043 -6.070 1.00 0.00 H new ATOM 515 N HIS A 32 1.873 -7.619 -5.120 1.00 0.00 N ATOM 516 CA HIS A 32 3.219 -8.119 -4.821 1.00 0.00 C ATOM 517 C HIS A 32 3.572 -7.972 -3.327 1.00 0.00 C ATOM 518 O HIS A 32 4.281 -8.815 -2.773 1.00 0.00 O ATOM 519 CB HIS A 32 4.253 -7.466 -5.770 1.00 0.00 C ATOM 520 CG HIS A 32 5.009 -6.259 -5.277 1.00 0.00 C ATOM 521 ND1 HIS A 32 5.024 -5.005 -5.886 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.843 -6.227 -4.200 1.00 0.00 C ATOM 523 CE1 HIS A 32 5.798 -4.231 -5.111 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.318 -4.944 -4.100 1.00 0.00 N ATOM 0 H HIS A 32 1.860 -6.682 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 32 3.245 -9.192 -5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.983 -8.228 -6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.733 -7.182 -6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.084 -7.054 -3.549 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.978 -3.179 -5.278 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.954 -4.594 -3.384 1.00 0.00 H new ATOM 532 N GLU A 33 3.080 -6.906 -2.685 1.00 0.00 N ATOM 533 CA GLU A 33 3.433 -6.545 -1.311 1.00 0.00 C ATOM 534 C GLU A 33 2.620 -7.345 -0.282 1.00 0.00 C ATOM 535 O GLU A 33 3.181 -8.088 0.522 1.00 0.00 O ATOM 536 CB GLU A 33 3.220 -5.034 -1.098 1.00 0.00 C ATOM 537 CG GLU A 33 4.356 -4.105 -1.547 1.00 0.00 C ATOM 538 CD GLU A 33 5.754 -4.420 -0.969 1.00 0.00 C ATOM 539 OE1 GLU A 33 5.872 -5.122 0.060 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.758 -3.951 -1.557 1.00 0.00 O ATOM 0 H GLU A 33 2.416 -6.262 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 33 4.484 -6.792 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.313 -4.741 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.040 -4.863 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.418 -4.138 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.093 -3.083 -1.274 1.00 0.00 H new ATOM 547 N SER A 34 1.293 -7.216 -0.294 1.00 0.00 N ATOM 548 CA SER A 34 0.402 -7.820 0.709 1.00 0.00 C ATOM 549 C SER A 34 -0.481 -8.935 0.136 1.00 0.00 C ATOM 550 O SER A 34 -1.203 -9.592 0.880 1.00 0.00 O ATOM 551 CB SER A 34 -0.506 -6.737 1.293 1.00 0.00 C ATOM 552 OG SER A 34 -1.372 -6.222 0.293 1.00 0.00 O ATOM 0 H SER A 34 0.796 -6.683 -1.008 1.00 0.00 H new ATOM 0 HA SER A 34 1.041 -8.264 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.093 -7.150 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.100 -5.931 1.708 1.00 0.00 H new ATOM 0 HG SER A 34 -1.183 -5.270 0.156 1.00 0.00 H new ATOM 558 N SER A 35 -0.471 -9.130 -1.185 1.00 0.00 N ATOM 559 CA SER A 35 -1.416 -9.995 -1.911 1.00 0.00 C ATOM 560 C SER A 35 -2.877 -9.515 -1.775 1.00 0.00 C ATOM 561 O SER A 35 -3.804 -10.323 -1.889 1.00 0.00 O ATOM 562 CB SER A 35 -1.297 -11.474 -1.501 1.00 0.00 C ATOM 563 OG SER A 35 0.047 -11.917 -1.328 1.00 0.00 O ATOM 0 H SER A 35 0.210 -8.682 -1.798 1.00 0.00 H new ATOM 0 HA SER A 35 -1.134 -9.918 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.843 -11.628 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.778 -12.091 -2.259 1.00 0.00 H new ATOM 0 HG SER A 35 0.060 -12.891 -1.225 1.00 0.00 H new ATOM 569 N ARG A 36 -3.088 -8.214 -1.498 1.00 0.00 N ATOM 570 CA ARG A 36 -4.394 -7.584 -1.239 1.00 0.00 C ATOM 571 C ARG A 36 -4.966 -7.954 0.145 1.00 0.00 C ATOM 572 O ARG A 36 -6.182 -7.967 0.326 1.00 0.00 O ATOM 573 CB ARG A 36 -5.427 -7.848 -2.359 1.00 0.00 C ATOM 574 CG ARG A 36 -4.874 -7.780 -3.790 1.00 0.00 C ATOM 575 CD ARG A 36 -5.997 -7.799 -4.837 1.00 0.00 C ATOM 576 NE ARG A 36 -6.674 -9.105 -4.840 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.634 -10.054 -5.768 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.046 -9.898 -6.934 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.210 -11.209 -5.517 1.00 0.00 N ATOM 0 H ARG A 36 -2.319 -7.546 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.199 -6.512 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.864 -8.834 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.235 -7.122 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.282 -6.872 -3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.203 -8.622 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.717 -7.010 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.585 -7.594 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.249 -9.308 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.591 -9.014 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.045 -10.661 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.676 -11.363 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.191 -11.951 -6.216 1.00 0.00 H new ATOM 593 N ASP A 37 -4.114 -8.240 1.131 1.00 0.00 N ATOM 594 CA ASP A 37 -4.506 -8.648 2.495 1.00 0.00 C ATOM 595 C ASP A 37 -4.041 -7.642 3.556 1.00 0.00 C ATOM 596 O ASP A 37 -2.841 -7.459 3.777 1.00 0.00 O ATOM 597 CB ASP A 37 -3.967 -10.052 2.809 1.00 0.00 C ATOM 598 CG ASP A 37 -4.329 -10.562 4.219 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.223 -9.982 4.882 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.687 -11.542 4.665 1.00 0.00 O ATOM 0 H ASP A 37 -3.103 -8.195 1.006 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.595 -8.669 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.355 -10.753 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.882 -10.046 2.704 1.00 0.00 H new ATOM 605 N THR A 38 -5.005 -7.003 4.232 1.00 0.00 N ATOM 606 CA THR A 38 -4.725 -6.006 5.283 1.00 0.00 C ATOM 607 C THR A 38 -4.053 -6.613 6.506 1.00 0.00 C ATOM 608 O THR A 38 -3.325 -5.912 7.200 1.00 0.00 O ATOM 609 CB THR A 38 -5.976 -5.253 5.754 1.00 0.00 C ATOM 610 OG1 THR A 38 -7.002 -6.168 6.033 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.519 -4.294 4.708 1.00 0.00 C ATOM 0 H THR A 38 -6.000 -7.160 4.069 1.00 0.00 H new ATOM 0 HA THR A 38 -4.045 -5.302 4.803 1.00 0.00 H new ATOM 0 HB THR A 38 -5.674 -4.687 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.799 -5.684 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.403 -3.791 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.758 -3.553 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.786 -4.849 3.809 1.00 0.00 H new ATOM 619 N SER A 39 -4.240 -7.905 6.766 1.00 0.00 N ATOM 620 CA SER A 39 -3.643 -8.598 7.912 1.00 0.00 C ATOM 621 C SER A 39 -2.166 -8.988 7.702 1.00 0.00 C ATOM 622 O SER A 39 -1.522 -9.473 8.637 1.00 0.00 O ATOM 623 CB SER A 39 -4.459 -9.857 8.235 1.00 0.00 C ATOM 624 OG SER A 39 -5.781 -9.549 8.660 1.00 0.00 O ATOM 0 H SER A 39 -4.817 -8.510 6.181 1.00 0.00 H new ATOM 0 HA SER A 39 -3.665 -7.893 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.503 -10.495 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.952 -10.426 9.015 1.00 0.00 H new ATOM 0 HG SER A 39 -6.264 -10.379 8.853 1.00 0.00 H new ATOM 630 N LYS A 40 -1.602 -8.810 6.499 1.00 0.00 N ATOM 631 CA LYS A 40 -0.257 -9.293 6.173 1.00 0.00 C ATOM 632 C LYS A 40 0.858 -8.462 6.842 1.00 0.00 C ATOM 633 O LYS A 40 0.803 -7.226 6.872 1.00 0.00 O ATOM 634 CB LYS A 40 -0.098 -9.397 4.638 1.00 0.00 C ATOM 635 CG LYS A 40 1.145 -10.242 4.275 1.00 0.00 C ATOM 636 CD LYS A 40 1.146 -10.952 2.913 1.00 0.00 C ATOM 637 CE LYS A 40 -0.047 -11.902 2.732 1.00 0.00 C ATOM 638 NZ LYS A 40 0.069 -12.697 1.481 1.00 0.00 N ATOM 0 H LYS A 40 -2.065 -8.329 5.728 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.142 -10.292 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.990 -9.848 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.004 -8.400 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.018 -9.591 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.275 -10.998 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.132 -10.205 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.072 -11.516 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.109 -12.575 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.972 -11.325 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.736 -13.351 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.069 -12.057 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.956 -13.240 1.496 1.00 0.00 H new ATOM 652 N THR A 41 1.909 -9.146 7.310 1.00 0.00 N ATOM 653 CA THR A 41 3.152 -8.563 7.848 1.00 0.00 C ATOM 654 C THR A 41 4.379 -9.309 7.353 1.00 0.00 C ATOM 655 O THR A 41 4.300 -10.477 6.967 1.00 0.00 O ATOM 656 CB THR A 41 3.178 -8.543 9.384 1.00 0.00 C ATOM 657 OG1 THR A 41 2.910 -9.839 9.877 1.00 0.00 O ATOM 658 CG2 THR A 41 2.194 -7.569 10.020 1.00 0.00 C ATOM 0 H THR A 41 1.920 -10.166 7.326 1.00 0.00 H new ATOM 0 HA THR A 41 3.173 -7.536 7.485 1.00 0.00 H new ATOM 0 HB THR A 41 4.176 -8.202 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.928 -9.827 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.281 -7.621 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.418 -6.556 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.179 -7.832 9.724 1.00 0.00 H new ATOM 666 N ASN A 42 5.524 -8.628 7.405 1.00 0.00 N ATOM 667 CA ASN A 42 6.833 -9.156 7.016 1.00 0.00 C ATOM 668 C ASN A 42 7.966 -8.512 7.835 1.00 0.00 C ATOM 669 O ASN A 42 8.010 -7.288 7.974 1.00 0.00 O ATOM 670 CB ASN A 42 7.057 -8.909 5.513 1.00 0.00 C ATOM 671 CG ASN A 42 6.310 -9.892 4.616 1.00 0.00 C ATOM 672 OD1 ASN A 42 6.719 -11.037 4.451 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.224 -9.474 3.992 1.00 0.00 N ATOM 0 H ASN A 42 5.568 -7.662 7.730 1.00 0.00 H new ATOM 0 HA ASN A 42 6.847 -10.227 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.741 -7.895 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.124 -8.972 5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.720 -10.104 3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.889 -8.521 4.134 1.00 0.00 H new ATOM 680 N THR A 43 8.881 -9.323 8.384 1.00 0.00 N ATOM 681 CA THR A 43 10.044 -8.871 9.178 1.00 0.00 C ATOM 682 C THR A 43 11.228 -8.577 8.257 1.00 0.00 C ATOM 683 O THR A 43 11.407 -9.245 7.238 1.00 0.00 O ATOM 684 CB THR A 43 10.438 -9.932 10.216 1.00 0.00 C ATOM 685 OG1 THR A 43 9.283 -10.402 10.874 1.00 0.00 O ATOM 686 CG2 THR A 43 11.374 -9.379 11.293 1.00 0.00 C ATOM 0 H THR A 43 8.836 -10.338 8.289 1.00 0.00 H new ATOM 0 HA THR A 43 9.766 -7.958 9.704 1.00 0.00 H new ATOM 0 HB THR A 43 10.950 -10.725 9.671 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.536 -11.080 11.535 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.621 -10.170 12.001 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.288 -9.011 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.880 -8.562 11.819 1.00 0.00 H new ATOM 694 N ASN A 44 12.051 -7.598 8.629 1.00 0.00 N ATOM 695 CA ASN A 44 13.233 -7.146 7.884 1.00 0.00 C ATOM 696 C ASN A 44 14.540 -7.518 8.606 1.00 0.00 C ATOM 697 O ASN A 44 14.575 -7.663 9.831 1.00 0.00 O ATOM 698 CB ASN A 44 13.161 -5.621 7.691 1.00 0.00 C ATOM 699 CG ASN A 44 11.939 -5.186 6.890 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.997 -5.018 5.678 1.00 0.00 O ATOM 701 ND2 ASN A 44 10.815 -4.990 7.551 1.00 0.00 N ATOM 0 H ASN A 44 11.910 -7.074 9.493 1.00 0.00 H new ATOM 0 HA ASN A 44 13.236 -7.648 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.142 -5.136 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.063 -5.280 7.183 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.976 -4.694 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.785 -5.135 8.560 1.00 0.00 H new ATOM 708 N ARG A 45 15.647 -7.585 7.854 1.00 0.00 N ATOM 709 CA ARG A 45 16.999 -7.879 8.378 1.00 0.00 C ATOM 710 C ARG A 45 17.510 -6.823 9.376 1.00 0.00 C ATOM 711 O ARG A 45 18.337 -7.121 10.238 1.00 0.00 O ATOM 712 CB ARG A 45 18.002 -8.028 7.219 1.00 0.00 C ATOM 713 CG ARG A 45 17.583 -9.117 6.222 1.00 0.00 C ATOM 714 CD ARG A 45 18.662 -9.343 5.154 1.00 0.00 C ATOM 715 NE ARG A 45 18.243 -10.358 4.170 1.00 0.00 N ATOM 716 CZ ARG A 45 18.354 -11.679 4.283 1.00 0.00 C ATOM 717 NH1 ARG A 45 18.870 -12.253 5.351 1.00 0.00 N ATOM 718 NH2 ARG A 45 17.936 -12.453 3.305 1.00 0.00 N ATOM 0 H ARG A 45 15.634 -7.434 6.845 1.00 0.00 H new ATOM 0 HA ARG A 45 16.916 -8.818 8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.094 -7.076 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.986 -8.267 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.396 -10.049 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.647 -8.832 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.872 -8.404 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.589 -9.659 5.633 1.00 0.00 H new ATOM 0 HE ARG A 45 17.822 -10.009 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.201 -11.681 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.938 -13.269 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.529 -12.040 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.018 -13.466 3.386 1.00 0.00 H new ATOM 732 N ASN A 46 16.977 -5.599 9.289 1.00 0.00 N ATOM 733 CA ASN A 46 17.251 -4.482 10.204 1.00 0.00 C ATOM 734 C ASN A 46 16.497 -4.582 11.558 1.00 0.00 C ATOM 735 O ASN A 46 16.745 -3.785 12.465 1.00 0.00 O ATOM 736 CB ASN A 46 16.929 -3.179 9.444 1.00 0.00 C ATOM 737 CG ASN A 46 17.422 -1.914 10.146 1.00 0.00 C ATOM 738 OD1 ASN A 46 16.641 -1.088 10.604 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.725 -1.715 10.239 1.00 0.00 N ATOM 0 H ASN A 46 16.318 -5.348 8.552 1.00 0.00 H new ATOM 0 HA ASN A 46 18.301 -4.506 10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.376 -3.229 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.850 -3.108 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 46 19.081 -0.874 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.374 -2.403 9.858 1.00 0.00 H new ATOM 746 N GLY A 47 15.578 -5.548 11.716 1.00 0.00 N ATOM 747 CA GLY A 47 14.802 -5.795 12.946 1.00 0.00 C ATOM 748 C GLY A 47 13.457 -5.062 13.019 1.00 0.00 C ATOM 749 O GLY A 47 12.747 -5.184 14.014 1.00 0.00 O ATOM 0 H GLY A 47 15.346 -6.201 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.621 -6.866 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.406 -5.502 13.804 1.00 0.00 H new ATOM 753 N SER A 48 13.101 -4.305 11.986 1.00 0.00 N ATOM 754 CA SER A 48 11.786 -3.676 11.806 1.00 0.00 C ATOM 755 C SER A 48 10.789 -4.619 11.102 1.00 0.00 C ATOM 756 O SER A 48 11.173 -5.623 10.494 1.00 0.00 O ATOM 757 CB SER A 48 11.972 -2.378 11.006 1.00 0.00 C ATOM 758 OG SER A 48 12.650 -2.619 9.777 1.00 0.00 O ATOM 0 H SER A 48 13.741 -4.102 11.219 1.00 0.00 H new ATOM 0 HA SER A 48 11.362 -3.453 12.785 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.999 -1.930 10.805 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.537 -1.660 11.600 1.00 0.00 H new ATOM 0 HG SER A 48 12.752 -1.775 9.289 1.00 0.00 H new ATOM 764 N LYS A 49 9.496 -4.293 11.145 1.00 0.00 N ATOM 765 CA LYS A 49 8.422 -5.065 10.506 1.00 0.00 C ATOM 766 C LYS A 49 7.516 -4.161 9.653 1.00 0.00 C ATOM 767 O LYS A 49 7.351 -2.966 9.916 1.00 0.00 O ATOM 768 CB LYS A 49 7.624 -5.838 11.577 1.00 0.00 C ATOM 769 CG LYS A 49 7.004 -7.160 11.103 1.00 0.00 C ATOM 770 CD LYS A 49 6.096 -7.737 12.203 1.00 0.00 C ATOM 771 CE LYS A 49 5.677 -9.191 11.938 1.00 0.00 C ATOM 772 NZ LYS A 49 6.759 -10.159 12.254 1.00 0.00 N ATOM 0 H LYS A 49 9.156 -3.466 11.636 1.00 0.00 H new ATOM 0 HA LYS A 49 8.867 -5.791 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.284 -6.046 12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.827 -5.194 11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.427 -6.996 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.791 -7.873 10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.616 -7.684 13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.203 -7.118 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.796 -9.427 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.391 -9.299 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.392 -11.129 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.546 -10.030 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.097 -9.997 13.224 1.00 0.00 H new ATOM 786 N ASP A 50 6.934 -4.766 8.625 1.00 0.00 N ATOM 787 CA ASP A 50 6.039 -4.152 7.650 1.00 0.00 C ATOM 788 C ASP A 50 4.582 -4.527 7.954 1.00 0.00 C ATOM 789 O ASP A 50 4.322 -5.647 8.389 1.00 0.00 O ATOM 790 CB ASP A 50 6.397 -4.655 6.244 1.00 0.00 C ATOM 791 CG ASP A 50 7.856 -4.441 5.802 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.564 -3.574 6.366 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.297 -5.168 4.881 1.00 0.00 O ATOM 0 H ASP A 50 7.083 -5.758 8.438 1.00 0.00 H new ATOM 0 HA ASP A 50 6.151 -3.069 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.176 -5.721 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.744 -4.160 5.525 1.00 0.00 H new ATOM 798 N TYR A 51 3.639 -3.614 7.707 1.00 0.00 N ATOM 799 CA TYR A 51 2.227 -3.730 8.106 1.00 0.00 C ATOM 800 C TYR A 51 1.250 -3.177 7.053 1.00 0.00 C ATOM 801 O TYR A 51 1.545 -2.206 6.350 1.00 0.00 O ATOM 802 CB TYR A 51 2.014 -2.965 9.422 1.00 0.00 C ATOM 803 CG TYR A 51 2.784 -3.477 10.620 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.098 -3.025 10.844 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.170 -4.338 11.550 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.803 -3.433 11.987 1.00 0.00 C ATOM 807 CE2 TYR A 51 2.874 -4.757 12.695 1.00 0.00 C ATOM 808 CZ TYR A 51 4.194 -4.304 12.919 1.00 0.00 C ATOM 809 OH TYR A 51 4.868 -4.702 14.035 1.00 0.00 O ATOM 0 H TYR A 51 3.839 -2.747 7.209 1.00 0.00 H new ATOM 0 HA TYR A 51 2.016 -4.793 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.285 -1.922 9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.951 -2.985 9.663 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.566 -2.361 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.158 -4.677 11.385 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.810 -3.082 12.154 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.405 -5.425 13.403 1.00 0.00 H new ATOM 0 HH TYR A 51 4.299 -5.298 14.565 1.00 0.00 H new ATOM 819 N GLY A 52 0.055 -3.769 6.966 1.00 0.00 N ATOM 820 CA GLY A 52 -1.050 -3.262 6.143 1.00 0.00 C ATOM 821 C GLY A 52 -0.882 -3.512 4.649 1.00 0.00 C ATOM 822 O GLY A 52 0.098 -4.103 4.195 1.00 0.00 O ATOM 0 H GLY A 52 -0.176 -4.625 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.978 -3.726 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.151 -2.190 6.311 1.00 0.00 H new ATOM 826 N LEU A 53 -1.833 -3.026 3.852 1.00 0.00 N ATOM 827 CA LEU A 53 -1.934 -3.391 2.434 1.00 0.00 C ATOM 828 C LEU A 53 -0.756 -2.961 1.545 1.00 0.00 C ATOM 829 O LEU A 53 -0.498 -3.591 0.520 1.00 0.00 O ATOM 830 CB LEU A 53 -3.253 -2.822 1.874 1.00 0.00 C ATOM 831 CG LEU A 53 -3.871 -3.787 0.855 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.644 -4.883 1.576 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.822 -3.087 -0.101 1.00 0.00 C ATOM 0 H LEU A 53 -2.551 -2.373 4.165 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.909 -4.480 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.955 -2.648 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.067 -1.857 1.402 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.045 -4.206 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.079 -5.563 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.968 -5.436 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.439 -4.435 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.233 -3.813 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.634 -2.629 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.283 -2.316 -0.651 1.00 0.00 H new ATOM 845 N PHE A 54 -0.018 -1.932 1.956 1.00 0.00 N ATOM 846 CA PHE A 54 1.159 -1.421 1.249 1.00 0.00 C ATOM 847 C PHE A 54 2.473 -1.839 1.939 1.00 0.00 C ATOM 848 O PHE A 54 3.535 -1.362 1.544 1.00 0.00 O ATOM 849 CB PHE A 54 1.020 0.103 1.089 1.00 0.00 C ATOM 850 CG PHE A 54 -0.235 0.541 0.352 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.446 0.696 1.053 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.204 0.782 -1.035 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.620 1.068 0.378 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.376 1.176 -1.707 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.584 1.317 -1.004 1.00 0.00 C ATOM 0 H PHE A 54 -0.225 -1.416 2.811 1.00 0.00 H new ATOM 0 HA PHE A 54 1.209 -1.867 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.026 0.563 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.892 0.482 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.472 0.527 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.719 0.664 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.549 1.162 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.347 1.371 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.482 1.616 -1.524 1.00 0.00 H new ATOM 865 N GLN A 55 2.404 -2.706 2.965 1.00 0.00 N ATOM 866 CA GLN A 55 3.539 -3.219 3.740 1.00 0.00 C ATOM 867 C GLN A 55 4.427 -2.072 4.263 1.00 0.00 C ATOM 868 O GLN A 55 5.613 -1.953 3.950 1.00 0.00 O ATOM 869 CB GLN A 55 4.304 -4.284 2.930 1.00 0.00 C ATOM 870 CG GLN A 55 3.507 -5.579 2.709 1.00 0.00 C ATOM 871 CD GLN A 55 3.145 -6.289 4.010 1.00 0.00 C ATOM 872 OE1 GLN A 55 3.942 -6.983 4.626 1.00 0.00 O ATOM 873 NE2 GLN A 55 1.933 -6.128 4.494 1.00 0.00 N ATOM 0 H GLN A 55 1.513 -3.083 3.288 1.00 0.00 H new ATOM 0 HA GLN A 55 3.166 -3.722 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.576 -3.865 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.233 -4.523 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.593 -5.347 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.090 -6.255 2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.256 -5.553 3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.670 -6.579 5.370 1.00 0.00 H new ATOM 882 N ILE A 56 3.812 -1.182 5.041 1.00 0.00 N ATOM 883 CA ILE A 56 4.407 0.057 5.554 1.00 0.00 C ATOM 884 C ILE A 56 5.221 -0.255 6.815 1.00 0.00 C ATOM 885 O ILE A 56 4.753 -0.991 7.682 1.00 0.00 O ATOM 886 CB ILE A 56 3.298 1.107 5.817 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.342 1.218 4.600 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.938 2.462 6.108 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.274 2.315 4.673 1.00 0.00 C ATOM 0 H ILE A 56 2.846 -1.307 5.345 1.00 0.00 H new ATOM 0 HA ILE A 56 5.086 0.483 4.815 1.00 0.00 H new ATOM 0 HB ILE A 56 2.712 0.789 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.944 1.385 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.839 0.259 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.158 3.201 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.577 2.381 6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.537 2.773 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.668 2.294 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.636 2.145 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.757 3.288 4.764 1.00 0.00 H new ATOM 901 N ASN A 57 6.432 0.292 6.926 1.00 0.00 N ATOM 902 CA ASN A 57 7.391 -0.101 7.961 1.00 0.00 C ATOM 903 C ASN A 57 7.380 0.830 9.187 1.00 0.00 C ATOM 904 O ASN A 57 7.317 2.059 9.059 1.00 0.00 O ATOM 905 CB ASN A 57 8.780 -0.173 7.321 1.00 0.00 C ATOM 906 CG ASN A 57 9.820 -0.754 8.267 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.351 -0.064 9.125 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.140 -2.022 8.135 1.00 0.00 N ATOM 0 H ASN A 57 6.777 1.021 6.301 1.00 0.00 H new ATOM 0 HA ASN A 57 7.101 -1.077 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.731 -0.783 6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.089 0.826 7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.837 -2.439 8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.691 -2.589 7.416 1.00 0.00 H new ATOM 915 N ASP A 58 7.501 0.229 10.376 1.00 0.00 N ATOM 916 CA ASP A 58 7.442 0.901 11.687 1.00 0.00 C ATOM 917 C ASP A 58 8.580 1.900 11.995 1.00 0.00 C ATOM 918 O ASP A 58 8.533 2.617 12.998 1.00 0.00 O ATOM 919 CB ASP A 58 7.339 -0.143 12.806 1.00 0.00 C ATOM 920 CG ASP A 58 8.678 -0.804 13.180 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.044 -1.815 12.540 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.348 -0.331 14.129 1.00 0.00 O ATOM 0 H ASP A 58 7.648 -0.777 10.459 1.00 0.00 H new ATOM 0 HA ASP A 58 6.546 1.520 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.921 0.333 13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.637 -0.919 12.500 1.00 0.00 H new ATOM 927 N ARG A 59 9.601 1.941 11.133 1.00 0.00 N ATOM 928 CA ARG A 59 10.814 2.755 11.265 1.00 0.00 C ATOM 929 C ARG A 59 10.910 3.855 10.191 1.00 0.00 C ATOM 930 O ARG A 59 11.877 4.618 10.165 1.00 0.00 O ATOM 931 CB ARG A 59 12.004 1.780 11.236 1.00 0.00 C ATOM 932 CG ARG A 59 13.286 2.323 11.883 1.00 0.00 C ATOM 933 CD ARG A 59 14.270 1.188 12.200 1.00 0.00 C ATOM 934 NE ARG A 59 13.773 0.336 13.300 1.00 0.00 N ATOM 935 CZ ARG A 59 14.264 -0.837 13.679 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.295 -1.383 13.076 1.00 0.00 N ATOM 937 NH2 ARG A 59 13.710 -1.487 14.678 1.00 0.00 N ATOM 0 H ARG A 59 9.604 1.379 10.282 1.00 0.00 H new ATOM 0 HA ARG A 59 10.804 3.308 12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.716 0.860 11.745 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.218 1.518 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.759 3.041 11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.036 2.858 12.799 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.426 0.580 11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.238 1.609 12.472 1.00 0.00 H new ATOM 0 HE ARG A 59 12.969 0.686 13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.741 -0.904 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.650 -2.286 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.904 -1.090 15.161 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.086 -2.389 14.971 1.00 0.00 H new ATOM 951 N TYR A 60 9.904 3.950 9.312 1.00 0.00 N ATOM 952 CA TYR A 60 9.897 4.834 8.133 1.00 0.00 C ATOM 953 C TYR A 60 8.641 5.713 7.996 1.00 0.00 C ATOM 954 O TYR A 60 8.773 6.895 7.673 1.00 0.00 O ATOM 955 CB TYR A 60 10.056 3.986 6.860 1.00 0.00 C ATOM 956 CG TYR A 60 11.458 3.472 6.588 1.00 0.00 C ATOM 957 CD1 TYR A 60 11.992 2.411 7.342 1.00 0.00 C ATOM 958 CD2 TYR A 60 12.227 4.052 5.561 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.299 1.946 7.101 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.533 3.590 5.306 1.00 0.00 C ATOM 961 CZ TYR A 60 14.076 2.539 6.079 1.00 0.00 C ATOM 962 OH TYR A 60 15.342 2.098 5.833 1.00 0.00 O ATOM 0 H TYR A 60 9.049 3.401 9.401 1.00 0.00 H new ATOM 0 HA TYR A 60 10.733 5.519 8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.381 3.132 6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.734 4.581 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.394 1.949 8.113 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.814 4.854 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.706 1.140 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.120 4.040 4.519 1.00 0.00 H new ATOM 0 HH TYR A 60 15.731 2.615 5.097 1.00 0.00 H new ATOM 972 N TRP A 61 7.439 5.172 8.251 1.00 0.00 N ATOM 973 CA TRP A 61 6.174 5.854 7.917 1.00 0.00 C ATOM 974 C TRP A 61 5.035 5.618 8.928 1.00 0.00 C ATOM 975 O TRP A 61 4.285 6.552 9.210 1.00 0.00 O ATOM 976 CB TRP A 61 5.739 5.405 6.515 1.00 0.00 C ATOM 977 CG TRP A 61 6.712 5.546 5.379 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.308 4.513 4.739 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.172 6.753 4.689 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.103 4.989 3.717 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.044 6.362 3.627 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.917 8.135 4.828 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.616 7.287 2.740 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.485 9.074 3.945 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.330 8.654 2.901 1.00 0.00 C ATOM 0 H TRP A 61 7.314 4.260 8.690 1.00 0.00 H new ATOM 0 HA TRP A 61 6.369 6.926 7.954 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.454 4.355 6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.841 5.964 6.253 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.180 3.471 4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.665 4.398 3.104 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.275 8.478 5.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.267 6.953 1.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.270 10.125 4.070 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.758 9.380 2.225 1.00 0.00 H new ATOM 996 N CYS A 62 4.914 4.416 9.508 1.00 0.00 N ATOM 997 CA CYS A 62 4.025 4.130 10.651 1.00 0.00 C ATOM 998 C CYS A 62 4.810 3.902 11.953 1.00 0.00 C ATOM 999 O CYS A 62 6.030 3.782 11.940 1.00 0.00 O ATOM 1000 CB CYS A 62 3.109 2.942 10.335 1.00 0.00 C ATOM 1001 SG CYS A 62 3.933 1.481 9.661 1.00 0.00 S ATOM 0 H CYS A 62 5.438 3.599 9.194 1.00 0.00 H new ATOM 0 HA CYS A 62 3.403 5.010 10.812 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.588 2.655 11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.350 3.270 9.624 1.00 0.00 H new ATOM 0 HG CYS A 62 3.099 0.484 9.637 1.00 0.00 H new ATOM 1006 N SER A 63 4.118 3.874 13.091 1.00 0.00 N ATOM 1007 CA SER A 63 4.707 3.692 14.429 1.00 0.00 C ATOM 1008 C SER A 63 4.161 2.450 15.149 1.00 0.00 C ATOM 1009 O SER A 63 2.962 2.170 15.095 1.00 0.00 O ATOM 1010 CB SER A 63 4.416 4.929 15.278 1.00 0.00 C ATOM 1011 OG SER A 63 5.474 5.134 16.201 1.00 0.00 O ATOM 0 H SER A 63 3.104 3.980 13.115 1.00 0.00 H new ATOM 0 HA SER A 63 5.780 3.551 14.297 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.304 5.804 14.637 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.474 4.803 15.812 1.00 0.00 H new ATOM 0 HG SER A 63 5.286 5.929 16.743 1.00 0.00 H new ATOM 1017 N LYS A 64 5.032 1.699 15.827 1.00 0.00 N ATOM 1018 CA LYS A 64 4.717 0.383 16.421 1.00 0.00 C ATOM 1019 C LYS A 64 4.069 0.419 17.819 1.00 0.00 C ATOM 1020 O LYS A 64 3.560 -0.607 18.281 1.00 0.00 O ATOM 1021 CB LYS A 64 5.984 -0.492 16.462 1.00 0.00 C ATOM 1022 CG LYS A 64 7.158 0.183 17.191 1.00 0.00 C ATOM 1023 CD LYS A 64 8.181 -0.851 17.664 1.00 0.00 C ATOM 1024 CE LYS A 64 9.373 -0.123 18.290 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.373 -1.073 18.845 1.00 0.00 N ATOM 0 H LYS A 64 5.997 1.988 15.986 1.00 0.00 H new ATOM 0 HA LYS A 64 3.958 -0.044 15.765 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.751 -1.435 16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.286 -0.732 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.641 0.898 16.525 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.784 0.746 18.046 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.727 -1.524 18.391 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.512 -1.464 16.826 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.849 0.507 17.539 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.020 0.537 19.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.164 -0.541 19.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.926 -1.658 19.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.729 -1.686 18.084 1.00 0.00 H new ATOM 1039 N GLY A 65 4.123 1.562 18.510 1.00 0.00 N ATOM 1040 CA GLY A 65 3.684 1.703 19.906 1.00 0.00 C ATOM 1041 C GLY A 65 2.163 1.806 20.047 1.00 0.00 C ATOM 1042 O GLY A 65 1.417 1.546 19.104 1.00 0.00 O ATOM 0 H GLY A 65 4.478 2.431 18.110 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.040 0.848 20.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.144 2.592 20.338 1.00 0.00 H new ATOM 1046 N ALA A 66 1.694 2.208 21.231 1.00 0.00 N ATOM 1047 CA ALA A 66 0.265 2.340 21.558 1.00 0.00 C ATOM 1048 C ALA A 66 -0.392 3.635 21.020 1.00 0.00 C ATOM 1049 O ALA A 66 -1.547 3.927 21.330 1.00 0.00 O ATOM 1050 CB ALA A 66 0.118 2.197 23.080 1.00 0.00 C ATOM 0 H ALA A 66 2.307 2.457 22.008 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.282 1.548 21.047 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.933 2.291 23.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.489 1.220 23.391 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.693 2.979 23.576 1.00 0.00 H new ATOM 1056 N SER A 67 0.325 4.417 20.212 1.00 0.00 N ATOM 1057 CA SER A 67 -0.089 5.728 19.694 1.00 0.00 C ATOM 1058 C SER A 67 0.673 6.056 18.389 1.00 0.00 C ATOM 1059 O SER A 67 1.843 5.662 18.268 1.00 0.00 O ATOM 1060 CB SER A 67 0.191 6.785 20.776 1.00 0.00 C ATOM 1061 OG SER A 67 -0.330 8.058 20.423 1.00 0.00 O ATOM 0 H SER A 67 1.252 4.145 19.884 1.00 0.00 H new ATOM 0 HA SER A 67 -1.153 5.720 19.458 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.248 6.463 21.720 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.266 6.865 20.935 1.00 0.00 H new ATOM 0 HG SER A 67 -0.133 8.701 21.136 1.00 0.00 H new ATOM 1067 N PRO A 68 0.052 6.742 17.404 1.00 0.00 N ATOM 1068 CA PRO A 68 0.721 7.183 16.177 1.00 0.00 C ATOM 1069 C PRO A 68 1.771 8.272 16.463 1.00 0.00 C ATOM 1070 O PRO A 68 1.733 8.931 17.504 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.401 7.700 15.273 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.461 8.184 16.256 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.347 7.161 17.381 1.00 0.00 C ATOM 0 HA PRO A 68 1.275 6.371 15.705 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.055 8.507 14.627 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.786 6.914 14.623 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.261 9.197 16.605 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.456 8.191 15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.639 7.597 18.336 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.006 6.311 17.204 1.00 0.00 H new ATOM 1081 N GLY A 69 2.715 8.471 15.531 1.00 0.00 N ATOM 1082 CA GLY A 69 3.837 9.400 15.733 1.00 0.00 C ATOM 1083 C GLY A 69 4.958 9.251 14.712 1.00 0.00 C ATOM 1084 O GLY A 69 6.049 8.781 15.033 1.00 0.00 O ATOM 0 H GLY A 69 2.723 7.999 14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.460 10.422 15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.246 9.247 16.732 1.00 0.00 H new ATOM 1088 N LYS A 70 4.666 9.669 13.479 1.00 0.00 N ATOM 1089 CA LYS A 70 5.556 9.697 12.305 1.00 0.00 C ATOM 1090 C LYS A 70 5.134 10.830 11.351 1.00 0.00 C ATOM 1091 O LYS A 70 4.143 11.521 11.593 1.00 0.00 O ATOM 1092 CB LYS A 70 5.501 8.336 11.570 1.00 0.00 C ATOM 1093 CG LYS A 70 6.136 7.144 12.289 1.00 0.00 C ATOM 1094 CD LYS A 70 7.652 7.250 12.503 1.00 0.00 C ATOM 1095 CE LYS A 70 8.207 6.056 13.296 1.00 0.00 C ATOM 1096 NZ LYS A 70 7.885 6.136 14.747 1.00 0.00 N ATOM 0 H LYS A 70 3.736 10.023 13.253 1.00 0.00 H new ATOM 0 HA LYS A 70 6.578 9.879 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.456 8.097 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.990 8.451 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.654 7.025 13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.927 6.240 11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.151 7.306 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.879 8.175 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.799 5.131 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.289 6.011 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.626 5.653 15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.835 7.133 15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.969 5.677 14.925 1.00 0.00 H new ATOM 1110 N ASP A 71 5.826 10.965 10.217 1.00 0.00 N ATOM 1111 CA ASP A 71 5.475 11.919 9.150 1.00 0.00 C ATOM 1112 C ASP A 71 4.069 11.677 8.565 1.00 0.00 C ATOM 1113 O ASP A 71 3.379 12.629 8.205 1.00 0.00 O ATOM 1114 CB ASP A 71 6.547 11.863 8.052 1.00 0.00 C ATOM 1115 CG ASP A 71 6.277 12.869 6.919 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.175 14.085 7.203 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.168 12.435 5.749 1.00 0.00 O ATOM 0 H ASP A 71 6.656 10.411 10.007 1.00 0.00 H new ATOM 0 HA ASP A 71 5.446 12.916 9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.524 12.067 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.587 10.855 7.638 1.00 0.00 H new ATOM 1122 N CYS A 72 3.608 10.420 8.529 1.00 0.00 N ATOM 1123 CA CYS A 72 2.245 10.056 8.110 1.00 0.00 C ATOM 1124 C CYS A 72 1.244 9.934 9.275 1.00 0.00 C ATOM 1125 O CYS A 72 0.066 9.674 9.033 1.00 0.00 O ATOM 1126 CB CYS A 72 2.307 8.784 7.257 1.00 0.00 C ATOM 1127 SG CYS A 72 3.343 8.957 5.774 1.00 0.00 S ATOM 0 H CYS A 72 4.177 9.616 8.793 1.00 0.00 H new ATOM 0 HA CYS A 72 1.852 10.876 7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.692 7.966 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.297 8.509 6.955 1.00 0.00 H new ATOM 0 HG CYS A 72 4.457 8.310 5.945 1.00 0.00 H new ATOM 1132 N ASN A 73 1.687 10.129 10.528 1.00 0.00 N ATOM 1133 CA ASN A 73 0.851 10.249 11.731 1.00 0.00 C ATOM 1134 C ASN A 73 -0.134 9.070 11.892 1.00 0.00 C ATOM 1135 O ASN A 73 -1.346 9.252 12.032 1.00 0.00 O ATOM 1136 CB ASN A 73 0.187 11.640 11.760 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.483 11.954 13.099 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.096 11.457 14.152 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.503 12.794 13.099 1.00 0.00 N ATOM 0 H ASN A 73 2.682 10.211 10.738 1.00 0.00 H new ATOM 0 HA ASN A 73 1.486 10.176 12.614 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.939 12.400 11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.557 11.698 10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.969 13.030 13.975 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.824 13.207 12.223 1.00 0.00 H new ATOM 1146 N VAL A 74 0.402 7.846 11.832 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.371 6.598 11.779 1.00 0.00 C ATOM 1148 C VAL A 74 0.380 5.453 12.470 1.00 0.00 C ATOM 1149 O VAL A 74 1.609 5.400 12.478 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.770 6.273 10.318 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.436 5.907 9.435 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.826 5.165 10.267 1.00 0.00 C ATOM 0 H VAL A 74 1.410 7.691 11.819 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.298 6.729 12.337 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.198 7.188 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.094 5.690 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.135 6.743 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.935 5.029 9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.087 4.958 9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.428 4.261 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.716 5.486 10.808 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.381 4.555 13.092 1.00 0.00 N ATOM 1163 CA LYS A 75 0.096 3.439 13.912 1.00 0.00 C ATOM 1164 C LYS A 75 0.043 2.119 13.119 1.00 0.00 C ATOM 1165 O LYS A 75 -0.961 1.829 12.473 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.809 3.418 15.155 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.262 2.634 16.356 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.326 2.618 17.470 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.343 1.484 17.265 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.712 1.858 17.705 1.00 0.00 N ATOM 0 H LYS A 75 -1.399 4.586 13.036 1.00 0.00 H new ATOM 0 HA LYS A 75 1.139 3.558 14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.992 4.446 15.467 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.773 2.993 14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.012 1.615 16.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.657 3.094 16.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.839 2.500 18.438 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.847 3.575 17.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.367 1.208 16.211 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.016 0.603 17.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.187 1.025 18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.653 2.606 18.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.256 2.205 16.890 1.00 0.00 H new ATOM 1184 N CYS A 76 1.093 1.296 13.177 1.00 0.00 N ATOM 1185 CA CYS A 76 1.202 -0.003 12.483 1.00 0.00 C ATOM 1186 C CYS A 76 -0.019 -0.924 12.664 1.00 0.00 C ATOM 1187 O CYS A 76 -0.446 -1.575 11.716 1.00 0.00 O ATOM 1188 CB CYS A 76 2.444 -0.725 13.015 1.00 0.00 C ATOM 1189 SG CYS A 76 3.997 0.146 12.748 1.00 0.00 S ATOM 0 H CYS A 76 1.923 1.518 13.726 1.00 0.00 H new ATOM 0 HA CYS A 76 1.266 0.213 11.417 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.318 -0.895 14.084 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.508 -1.705 12.542 1.00 0.00 H new ATOM 0 HG CYS A 76 4.027 0.618 11.537 1.00 0.00 H new ATOM 1194 N SER A 77 -0.616 -0.958 13.858 1.00 0.00 N ATOM 1195 CA SER A 77 -1.785 -1.811 14.141 1.00 0.00 C ATOM 1196 C SER A 77 -3.099 -1.237 13.565 1.00 0.00 C ATOM 1197 O SER A 77 -4.010 -1.989 13.216 1.00 0.00 O ATOM 1198 CB SER A 77 -1.889 -2.052 15.654 1.00 0.00 C ATOM 1199 OG SER A 77 -2.766 -3.127 15.955 1.00 0.00 O ATOM 0 H SER A 77 -0.309 -0.400 14.655 1.00 0.00 H new ATOM 0 HA SER A 77 -1.634 -2.765 13.635 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.899 -2.266 16.057 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.244 -1.145 16.144 1.00 0.00 H new ATOM 0 HG SER A 77 -2.807 -3.253 16.926 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.181 0.085 13.350 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.284 0.726 12.620 1.00 0.00 C ATOM 1207 C ASP A 78 -4.217 0.452 11.106 1.00 0.00 C ATOM 1208 O ASP A 78 -5.193 0.694 10.404 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.323 2.241 12.903 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.248 2.588 14.075 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.460 2.792 13.826 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.757 2.677 15.227 1.00 0.00 O ATOM 0 H ASP A 78 -2.477 0.744 13.681 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.210 0.282 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.315 2.594 13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.659 2.767 12.009 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.114 -0.102 10.589 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.014 -0.525 9.187 1.00 0.00 C ATOM 1219 C LEU A 79 -3.627 -1.915 8.944 1.00 0.00 C ATOM 1220 O LEU A 79 -3.795 -2.315 7.791 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.548 -0.480 8.722 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.778 0.823 9.015 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.584 0.744 8.325 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.521 2.066 8.518 1.00 0.00 C ATOM 0 H LEU A 79 -2.266 -0.270 11.130 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.598 0.178 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.014 -1.306 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.525 -0.657 7.647 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.673 0.918 10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.145 1.658 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.138 -0.111 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.441 0.629 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.936 2.956 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.666 1.997 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.491 2.131 9.011 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.977 -2.640 10.016 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.511 -4.008 9.986 1.00 0.00 C ATOM 1238 C LEU A 80 -6.056 -4.046 10.072 1.00 0.00 C ATOM 1239 O LEU A 80 -6.641 -5.120 10.251 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.842 -4.843 11.100 1.00 0.00 C ATOM 1241 CG LEU A 80 -2.299 -4.797 11.151 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.811 -5.633 12.344 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.639 -5.302 9.860 1.00 0.00 C ATOM 0 H LEU A 80 -3.892 -2.275 10.965 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.267 -4.451 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.227 -4.503 12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.150 -5.882 10.982 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.008 -3.753 11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.722 -5.605 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.221 -5.223 13.267 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.143 -6.664 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.555 -5.244 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.933 -6.336 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.960 -4.684 9.021 1.00 0.00 H new ATOM 1255 N THR A 81 -6.716 -2.881 9.979 1.00 0.00 N ATOM 1256 CA THR A 81 -8.181 -2.705 10.021 1.00 0.00 C ATOM 1257 C THR A 81 -8.870 -3.268 8.779 1.00 0.00 C ATOM 1258 O THR A 81 -8.242 -3.494 7.748 1.00 0.00 O ATOM 1259 CB THR A 81 -8.540 -1.222 10.210 1.00 0.00 C ATOM 1260 OG1 THR A 81 -7.833 -0.418 9.291 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.181 -0.748 11.621 1.00 0.00 C ATOM 0 H THR A 81 -6.223 -1.995 9.867 1.00 0.00 H new ATOM 0 HA THR A 81 -8.548 -3.273 10.876 1.00 0.00 H new ATOM 0 HB THR A 81 -9.614 -1.128 10.047 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.300 -0.417 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.445 0.304 11.729 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.732 -1.338 12.354 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.111 -0.873 11.785 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.185 -3.479 8.876 1.00 0.00 N ATOM 1270 CA ASP A 82 -11.018 -4.046 7.798 1.00 0.00 C ATOM 1271 C ASP A 82 -11.355 -3.042 6.671 1.00 0.00 C ATOM 1272 O ASP A 82 -11.996 -3.401 5.683 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.290 -4.663 8.401 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.984 -5.714 9.478 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -11.255 -6.689 9.179 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.456 -5.553 10.628 1.00 0.00 O ATOM 0 H ASP A 82 -10.716 -3.259 9.719 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.427 -4.823 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.903 -3.872 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.878 -5.123 7.607 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.899 -1.795 6.807 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.882 -0.762 5.770 1.00 0.00 C ATOM 1283 C ASP A 83 -9.423 -0.331 5.567 1.00 0.00 C ATOM 1284 O ASP A 83 -8.714 0.005 6.518 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.782 0.428 6.154 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.988 1.442 5.007 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -11.072 1.634 4.170 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -13.078 2.059 4.963 1.00 0.00 O ATOM 0 H ASP A 83 -10.512 -1.462 7.690 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.283 -1.155 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.753 0.050 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.344 0.943 7.009 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.975 -0.356 4.313 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.590 -0.093 3.902 1.00 0.00 C ATOM 1295 C ILE A 84 -7.162 1.375 4.093 1.00 0.00 C ATOM 1296 O ILE A 84 -5.973 1.668 3.976 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.391 -0.557 2.433 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -8.058 0.423 1.447 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.945 -1.978 2.215 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.811 0.128 -0.031 1.00 0.00 C ATOM 0 H ILE A 84 -9.586 -0.567 3.524 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.938 -0.669 4.559 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.318 -0.571 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.133 0.419 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.702 1.430 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.791 -2.274 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.426 -2.676 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.011 -1.992 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.322 0.873 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.741 0.163 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.194 -0.863 -0.273 1.00 0.00 H new ATOM 1312 N THR A 85 -8.110 2.292 4.348 1.00 0.00 N ATOM 1313 CA THR A 85 -7.925 3.757 4.338 1.00 0.00 C ATOM 1314 C THR A 85 -6.762 4.260 5.184 1.00 0.00 C ATOM 1315 O THR A 85 -6.007 5.116 4.730 1.00 0.00 O ATOM 1316 CB THR A 85 -9.244 4.458 4.678 1.00 0.00 C ATOM 1317 OG1 THR A 85 -9.094 5.848 4.505 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.744 4.189 6.096 1.00 0.00 C ATOM 0 H THR A 85 -9.067 2.024 4.577 1.00 0.00 H new ATOM 0 HA THR A 85 -7.636 4.022 3.321 1.00 0.00 H new ATOM 0 HB THR A 85 -9.990 4.047 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.938 6.297 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.682 4.720 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.906 3.119 6.228 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.002 4.535 6.815 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.527 3.685 6.365 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.398 4.076 7.223 1.00 0.00 C ATOM 1328 C LYS A 86 -4.027 3.781 6.580 1.00 0.00 C ATOM 1329 O LYS A 86 -3.071 4.526 6.797 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.556 3.398 8.592 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.665 4.057 9.437 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.666 3.025 9.971 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.766 3.642 10.847 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.240 4.190 12.126 1.00 0.00 N ATOM 0 H LYS A 86 -7.106 2.941 6.754 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.420 5.158 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.787 2.342 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.611 3.447 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.215 4.592 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.192 4.795 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.128 2.508 9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.129 2.274 10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.263 4.438 10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.520 2.885 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.032 4.391 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.605 3.494 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.715 5.068 11.938 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.939 2.748 5.733 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.756 2.435 4.932 1.00 0.00 C ATOM 1350 C ALA A 87 -2.741 3.228 3.617 1.00 0.00 C ATOM 1351 O ALA A 87 -1.707 3.781 3.248 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.721 0.915 4.705 1.00 0.00 C ATOM 0 H ALA A 87 -4.707 2.094 5.584 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.853 2.736 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.846 0.656 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.669 0.405 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.623 0.605 4.178 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.891 3.345 2.951 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.037 4.037 1.674 1.00 0.00 C ATOM 1360 C ALA A 88 -3.699 5.533 1.757 1.00 0.00 C ATOM 1361 O ALA A 88 -2.966 6.044 0.917 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.461 3.796 1.166 1.00 0.00 C ATOM 0 H ALA A 88 -4.767 2.951 3.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.314 3.631 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.597 4.303 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.625 2.726 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.176 4.187 1.890 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.153 6.238 2.795 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.844 7.661 3.004 1.00 0.00 C ATOM 1370 C LYS A 89 -2.347 7.909 3.273 1.00 0.00 C ATOM 1371 O LYS A 89 -1.782 8.893 2.793 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.701 8.180 4.167 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.189 8.298 3.788 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.091 8.577 5.001 1.00 0.00 C ATOM 1375 CE LYS A 89 -6.777 9.882 5.753 1.00 0.00 C ATOM 1376 NZ LYS A 89 -7.088 11.094 4.947 1.00 0.00 N ATOM 0 H LYS A 89 -4.749 5.839 3.520 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.079 8.204 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.597 7.509 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.330 9.155 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.311 9.098 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.511 7.375 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.128 8.608 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.006 7.743 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.349 9.910 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.723 9.894 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.859 11.946 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.523 11.084 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.099 11.100 4.705 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.681 6.989 3.979 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.224 7.005 4.160 1.00 0.00 C ATOM 1392 C CYS A 90 0.504 6.703 2.838 1.00 0.00 C ATOM 1393 O CYS A 90 1.460 7.398 2.491 1.00 0.00 O ATOM 1394 CB CYS A 90 0.136 6.024 5.284 1.00 0.00 C ATOM 1395 SG CYS A 90 1.904 5.822 5.612 1.00 0.00 S ATOM 0 H CYS A 90 -2.141 6.206 4.445 1.00 0.00 H new ATOM 0 HA CYS A 90 0.111 8.000 4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.349 6.357 6.201 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.283 5.048 5.038 1.00 0.00 H new ATOM 0 HG CYS A 90 2.499 6.973 5.508 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.008 5.760 2.041 1.00 0.00 N ATOM 1401 CA ALA A 91 0.498 5.455 0.704 1.00 0.00 C ATOM 1402 C ALA A 91 0.444 6.663 -0.250 1.00 0.00 C ATOM 1403 O ALA A 91 1.408 6.875 -0.982 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.258 4.240 0.159 1.00 0.00 C ATOM 0 H ALA A 91 -0.800 5.178 2.314 1.00 0.00 H new ATOM 0 HA ALA A 91 1.558 5.213 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.109 4.001 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.099 3.387 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.323 4.467 0.109 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.588 7.524 -0.192 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.583 8.796 -0.934 1.00 0.00 C ATOM 1412 C LYS A 92 0.557 9.730 -0.497 1.00 0.00 C ATOM 1413 O LYS A 92 1.242 10.298 -1.347 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.925 9.539 -0.794 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.198 8.758 -1.144 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.213 8.034 -2.498 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.842 8.903 -3.713 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.822 9.994 -3.964 1.00 0.00 N ATOM 0 H LYS A 92 -1.432 7.363 0.358 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.425 8.527 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.014 9.886 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.888 10.426 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.370 8.019 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.040 9.450 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.522 7.193 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.208 7.620 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.855 9.337 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.774 8.271 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.413 10.682 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.691 9.593 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.048 10.471 -3.068 1.00 0.00 H new ATOM 1432 N LYS A 93 0.807 9.878 0.813 1.00 0.00 N ATOM 1433 CA LYS A 93 1.902 10.725 1.317 1.00 0.00 C ATOM 1434 C LYS A 93 3.300 10.155 0.990 1.00 0.00 C ATOM 1435 O LYS A 93 4.255 10.917 0.828 1.00 0.00 O ATOM 1436 CB LYS A 93 1.698 11.038 2.812 1.00 0.00 C ATOM 1437 CG LYS A 93 2.636 12.182 3.243 1.00 0.00 C ATOM 1438 CD LYS A 93 2.333 12.744 4.637 1.00 0.00 C ATOM 1439 CE LYS A 93 3.251 13.954 4.871 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.023 14.593 6.190 1.00 0.00 N ATOM 0 H LYS A 93 0.264 9.421 1.546 1.00 0.00 H new ATOM 0 HA LYS A 93 1.864 11.675 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.661 11.318 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.898 10.148 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.665 11.822 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.567 12.989 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.286 13.040 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.503 11.984 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.291 13.636 4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.087 14.688 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.700 15.371 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.053 14.967 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.155 13.889 6.944 1.00 0.00 H new ATOM 1454 N ILE A 94 3.418 8.839 0.793 1.00 0.00 N ATOM 1455 CA ILE A 94 4.633 8.218 0.234 1.00 0.00 C ATOM 1456 C ILE A 94 4.756 8.544 -1.262 1.00 0.00 C ATOM 1457 O ILE A 94 5.804 9.010 -1.702 1.00 0.00 O ATOM 1458 CB ILE A 94 4.659 6.696 0.501 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.708 6.399 2.017 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.890 6.106 -0.208 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.476 4.927 2.381 1.00 0.00 C ATOM 0 H ILE A 94 2.679 8.171 1.014 1.00 0.00 H new ATOM 0 HA ILE A 94 5.503 8.638 0.739 1.00 0.00 H new ATOM 0 HB ILE A 94 3.749 6.239 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.679 6.708 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.956 7.008 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.930 5.031 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.820 6.298 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.794 6.571 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.527 4.807 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.493 4.615 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.243 4.311 1.911 1.00 0.00 H new ATOM 1473 N TYR A 95 3.684 8.373 -2.042 1.00 0.00 N ATOM 1474 CA TYR A 95 3.639 8.679 -3.481 1.00 0.00 C ATOM 1475 C TYR A 95 4.012 10.140 -3.808 1.00 0.00 C ATOM 1476 O TYR A 95 4.647 10.413 -4.827 1.00 0.00 O ATOM 1477 CB TYR A 95 2.271 8.243 -4.042 1.00 0.00 C ATOM 1478 CG TYR A 95 1.691 9.043 -5.196 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.070 10.284 -4.949 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.716 8.528 -6.507 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.519 11.028 -6.009 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.177 9.269 -7.574 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.579 10.526 -7.329 1.00 0.00 C ATOM 1484 OH TYR A 95 0.051 11.252 -8.354 1.00 0.00 O ATOM 0 H TYR A 95 2.801 8.009 -1.685 1.00 0.00 H new ATOM 0 HA TYR A 95 4.414 8.104 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.356 7.205 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.551 8.265 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.017 10.666 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.152 7.558 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.051 11.982 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.220 8.878 -8.580 1.00 0.00 H new ATOM 0 HH TYR A 95 0.175 10.767 -9.196 1.00 0.00 H new ATOM 1494 N LYS A 96 3.717 11.065 -2.890 1.00 0.00 N ATOM 1495 CA LYS A 96 4.155 12.466 -2.877 1.00 0.00 C ATOM 1496 C LYS A 96 5.684 12.685 -2.896 1.00 0.00 C ATOM 1497 O LYS A 96 6.132 13.789 -3.220 1.00 0.00 O ATOM 1498 CB LYS A 96 3.540 13.092 -1.611 1.00 0.00 C ATOM 1499 CG LYS A 96 2.446 14.128 -1.900 1.00 0.00 C ATOM 1500 CD LYS A 96 1.207 13.556 -2.610 1.00 0.00 C ATOM 1501 CE LYS A 96 0.089 14.601 -2.766 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.445 15.696 -3.708 1.00 0.00 N ATOM 0 H LYS A 96 3.130 10.843 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 96 3.818 12.935 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.121 12.299 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.331 13.566 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.134 14.583 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.868 14.924 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.494 13.185 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.829 12.704 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.817 14.107 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.140 15.029 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.345 16.369 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.293 16.190 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.637 15.296 -4.649 1.00 0.00 H new ATOM 1516 N ARG A 97 6.486 11.676 -2.535 1.00 0.00 N ATOM 1517 CA ARG A 97 7.959 11.676 -2.605 1.00 0.00 C ATOM 1518 C ARG A 97 8.485 10.626 -3.596 1.00 0.00 C ATOM 1519 O ARG A 97 9.432 10.897 -4.334 1.00 0.00 O ATOM 1520 CB ARG A 97 8.554 11.423 -1.204 1.00 0.00 C ATOM 1521 CG ARG A 97 8.199 12.459 -0.117 1.00 0.00 C ATOM 1522 CD ARG A 97 8.846 13.842 -0.296 1.00 0.00 C ATOM 1523 NE ARG A 97 8.217 14.622 -1.374 1.00 0.00 N ATOM 1524 CZ ARG A 97 8.575 15.817 -1.823 1.00 0.00 C ATOM 1525 NH1 ARG A 97 9.566 16.503 -1.291 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.916 16.331 -2.837 1.00 0.00 N ATOM 0 H ARG A 97 6.114 10.799 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 97 8.272 12.656 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.224 10.442 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.639 11.380 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.116 12.582 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.495 12.060 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.774 14.397 0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.907 13.718 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 97 7.411 14.193 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.089 16.117 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.811 17.420 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.147 15.812 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.173 17.249 -3.200 1.00 0.00 H new ATOM 1540 N HIS A 98 7.841 9.457 -3.653 1.00 0.00 N ATOM 1541 CA HIS A 98 8.216 8.300 -4.475 1.00 0.00 C ATOM 1542 C HIS A 98 6.955 7.555 -4.961 1.00 0.00 C ATOM 1543 O HIS A 98 6.450 6.663 -4.274 1.00 0.00 O ATOM 1544 CB HIS A 98 9.128 7.378 -3.642 1.00 0.00 C ATOM 1545 CG HIS A 98 10.428 7.998 -3.208 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.534 8.224 -4.031 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.717 8.425 -1.944 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.461 8.789 -3.239 1.00 0.00 C ATOM 1549 NE2 HIS A 98 12.000 8.923 -1.982 1.00 0.00 N ATOM 0 H HIS A 98 7.002 9.282 -3.100 1.00 0.00 H new ATOM 0 HA HIS A 98 8.758 8.630 -5.361 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.582 7.056 -2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.346 6.483 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.067 8.381 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.444 9.094 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.511 9.323 -1.195 1.00 0.00 H new ATOM 1557 N ARG A 99 6.441 7.913 -6.151 1.00 0.00 N ATOM 1558 CA ARG A 99 5.141 7.458 -6.675 1.00 0.00 C ATOM 1559 C ARG A 99 4.933 5.936 -6.650 1.00 0.00 C ATOM 1560 O ARG A 99 3.873 5.476 -6.228 1.00 0.00 O ATOM 1561 CB ARG A 99 4.862 8.061 -8.044 1.00 0.00 C ATOM 1562 CG ARG A 99 5.878 7.729 -9.138 1.00 0.00 C ATOM 1563 CD ARG A 99 5.374 8.466 -10.368 1.00 0.00 C ATOM 1564 NE ARG A 99 6.215 8.205 -11.549 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.973 8.609 -12.792 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.910 9.325 -13.100 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.810 8.294 -13.755 1.00 0.00 N ATOM 0 H ARG A 99 6.929 8.541 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 99 4.395 7.836 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.879 7.726 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.811 9.145 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.880 8.058 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.933 6.655 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.349 8.162 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.354 9.537 -10.166 1.00 0.00 H new ATOM 0 HE ARG A 99 7.065 7.662 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.243 9.586 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.755 9.619 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.642 7.741 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.628 8.602 -14.710 1.00 0.00 H new ATOM 1581 N PHE A 100 5.974 5.177 -7.013 1.00 0.00 N ATOM 1582 CA PHE A 100 6.023 3.711 -6.931 1.00 0.00 C ATOM 1583 C PHE A 100 7.406 3.170 -6.503 1.00 0.00 C ATOM 1584 O PHE A 100 7.531 1.992 -6.177 1.00 0.00 O ATOM 1585 CB PHE A 100 5.626 3.110 -8.285 1.00 0.00 C ATOM 1586 CG PHE A 100 4.299 3.567 -8.856 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.103 3.216 -8.207 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.257 4.353 -10.023 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.872 3.660 -8.708 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.022 4.803 -10.525 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.830 4.456 -9.864 1.00 0.00 C ATOM 0 H PHE A 100 6.835 5.579 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 100 5.317 3.411 -6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.409 3.344 -9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.600 2.025 -8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.133 2.602 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.173 4.611 -10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.955 3.390 -8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.989 5.413 -11.415 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.881 4.802 -10.246 1.00 0.00 H new ATOM 1601 N ASP A 101 8.446 4.017 -6.478 1.00 0.00 N ATOM 1602 CA ASP A 101 9.847 3.624 -6.240 1.00 0.00 C ATOM 1603 C ASP A 101 10.148 3.236 -4.777 1.00 0.00 C ATOM 1604 O ASP A 101 11.172 2.607 -4.502 1.00 0.00 O ATOM 1605 CB ASP A 101 10.751 4.774 -6.718 1.00 0.00 C ATOM 1606 CG ASP A 101 12.246 4.413 -6.706 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.661 3.567 -7.533 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.008 4.998 -5.901 1.00 0.00 O ATOM 0 H ASP A 101 8.335 5.020 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 101 10.047 2.715 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.461 5.060 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.589 5.644 -6.082 1.00 0.00 H new ATOM 1613 N ALA A 102 9.237 3.545 -3.846 1.00 0.00 N ATOM 1614 CA ALA A 102 9.298 3.106 -2.448 1.00 0.00 C ATOM 1615 C ALA A 102 9.035 1.592 -2.260 1.00 0.00 C ATOM 1616 O ALA A 102 9.220 1.076 -1.155 1.00 0.00 O ATOM 1617 CB ALA A 102 8.319 3.960 -1.630 1.00 0.00 C ATOM 0 H ALA A 102 8.419 4.120 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 102 10.317 3.253 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.349 3.649 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.602 5.010 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.309 3.829 -2.019 1.00 0.00 H new ATOM 1623 N TRP A 103 8.642 0.880 -3.325 1.00 0.00 N ATOM 1624 CA TRP A 103 8.308 -0.548 -3.317 1.00 0.00 C ATOM 1625 C TRP A 103 9.068 -1.307 -4.416 1.00 0.00 C ATOM 1626 O TRP A 103 8.979 -0.998 -5.605 1.00 0.00 O ATOM 1627 CB TRP A 103 6.786 -0.691 -3.446 1.00 0.00 C ATOM 1628 CG TRP A 103 5.977 -0.034 -2.364 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.668 -0.596 -1.176 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.333 1.282 -2.351 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.850 0.246 -0.454 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.596 1.418 -1.134 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.279 2.368 -3.251 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.820 2.552 -0.844 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.511 3.514 -2.970 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.772 3.604 -1.776 1.00 0.00 C ATOM 0 H TRP A 103 8.545 1.300 -4.249 1.00 0.00 H new ATOM 0 HA TRP A 103 8.623 -1.000 -2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.480 -0.275 -4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.539 -1.753 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 103 6.011 -1.563 -0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.478 0.029 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.838 2.319 -4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.268 2.615 0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.489 4.331 -3.677 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.170 4.478 -1.576 1.00 0.00 H new ATOM 1647 N TYR A 104 9.826 -2.326 -4.004 1.00 0.00 N ATOM 1648 CA TYR A 104 10.827 -3.000 -4.841 1.00 0.00 C ATOM 1649 C TYR A 104 10.269 -3.939 -5.928 1.00 0.00 C ATOM 1650 O TYR A 104 10.804 -3.991 -7.036 1.00 0.00 O ATOM 1651 CB TYR A 104 11.783 -3.736 -3.894 1.00 0.00 C ATOM 1652 CG TYR A 104 13.069 -4.181 -4.551 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.992 -3.212 -4.985 1.00 0.00 C ATOM 1654 CD2 TYR A 104 13.346 -5.551 -4.722 1.00 0.00 C ATOM 1655 CE1 TYR A 104 15.191 -3.606 -5.608 1.00 0.00 C ATOM 1656 CE2 TYR A 104 14.550 -5.952 -5.330 1.00 0.00 C ATOM 1657 CZ TYR A 104 15.471 -4.980 -5.786 1.00 0.00 C ATOM 1658 OH TYR A 104 16.618 -5.377 -6.407 1.00 0.00 O ATOM 0 H TYR A 104 9.762 -2.714 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 104 11.337 -2.235 -5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.022 -3.083 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.274 -4.609 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.780 -2.163 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.636 -6.293 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.895 -2.861 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.771 -7.002 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 104 16.649 -6.356 -6.443 1.00 0.00 H new ATOM 1668 N GLY A 105 9.161 -4.636 -5.654 1.00 0.00 N ATOM 1669 CA GLY A 105 8.508 -5.543 -6.613 1.00 0.00 C ATOM 1670 C GLY A 105 7.881 -4.820 -7.805 1.00 0.00 C ATOM 1671 O GLY A 105 7.805 -5.393 -8.891 1.00 0.00 O ATOM 0 H GLY A 105 8.685 -4.588 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.241 -6.262 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.735 -6.111 -6.095 1.00 0.00 H new ATOM 1675 N TRP A 106 7.508 -3.542 -7.652 1.00 0.00 N ATOM 1676 CA TRP A 106 6.947 -2.758 -8.750 1.00 0.00 C ATOM 1677 C TRP A 106 7.999 -2.498 -9.842 1.00 0.00 C ATOM 1678 O TRP A 106 7.734 -2.691 -11.029 1.00 0.00 O ATOM 1679 CB TRP A 106 6.320 -1.461 -8.232 1.00 0.00 C ATOM 1680 CG TRP A 106 5.890 -0.542 -9.334 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.708 -0.568 -9.989 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.684 0.493 -9.985 1.00 0.00 C ATOM 1683 NE1 TRP A 106 4.722 0.373 -11.004 1.00 0.00 N ATOM 1684 CE2 TRP A 106 5.920 1.055 -11.049 1.00 0.00 C ATOM 1685 CE3 TRP A 106 7.980 1.007 -9.776 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.431 2.064 -11.882 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.509 2.007 -10.609 1.00 0.00 C ATOM 1688 CH2 TRP A 106 7.737 2.538 -11.661 1.00 0.00 C ATOM 0 H TRP A 106 7.587 -3.031 -6.773 1.00 0.00 H new ATOM 0 HA TRP A 106 6.149 -3.340 -9.211 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.458 -1.703 -7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.038 -0.945 -7.595 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.881 -1.222 -9.756 1.00 0.00 H new ATOM 0 HE1 TRP A 106 3.943 0.541 -11.640 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.577 0.625 -8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 5.829 2.470 -12.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.512 2.370 -10.442 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.147 3.308 -12.297 1.00 0.00 H new ATOM 1699 N LYS A 107 9.215 -2.115 -9.439 1.00 0.00 N ATOM 1700 CA LYS A 107 10.342 -1.823 -10.339 1.00 0.00 C ATOM 1701 C LYS A 107 11.097 -3.074 -10.837 1.00 0.00 C ATOM 1702 O LYS A 107 11.796 -2.988 -11.848 1.00 0.00 O ATOM 1703 CB LYS A 107 11.270 -0.765 -9.704 1.00 0.00 C ATOM 1704 CG LYS A 107 11.762 -1.104 -8.287 1.00 0.00 C ATOM 1705 CD LYS A 107 12.560 0.032 -7.636 1.00 0.00 C ATOM 1706 CE LYS A 107 13.849 0.369 -8.398 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.561 1.510 -7.768 1.00 0.00 N ATOM 0 H LYS A 107 9.451 -1.996 -8.454 1.00 0.00 H new ATOM 0 HA LYS A 107 9.920 -1.402 -11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.137 -0.627 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.742 0.188 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.904 -1.343 -7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.384 -1.998 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.934 0.923 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.811 -0.247 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.501 -0.504 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.610 0.613 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.411 1.738 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.933 2.338 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.839 1.254 -6.799 1.00 0.00 H new ATOM 1721 N ASN A 108 10.908 -4.236 -10.199 1.00 0.00 N ATOM 1722 CA ASN A 108 11.524 -5.505 -10.617 1.00 0.00 C ATOM 1723 C ASN A 108 10.593 -6.410 -11.452 1.00 0.00 C ATOM 1724 O ASN A 108 11.083 -7.106 -12.343 1.00 0.00 O ATOM 1725 CB ASN A 108 12.045 -6.258 -9.383 1.00 0.00 C ATOM 1726 CG ASN A 108 13.377 -5.710 -8.868 1.00 0.00 C ATOM 1727 OD1 ASN A 108 13.640 -4.512 -8.855 1.00 0.00 O ATOM 1728 ND2 ASN A 108 14.280 -6.583 -8.461 1.00 0.00 N ATOM 0 H ASN A 108 10.319 -4.324 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 108 12.351 -5.246 -11.278 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.302 -6.199 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.164 -7.313 -9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.192 -6.260 -8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.066 -7.580 -8.470 1.00 0.00 H new ATOM 1735 N HIS A 109 9.275 -6.397 -11.205 1.00 0.00 N ATOM 1736 CA HIS A 109 8.330 -7.373 -11.788 1.00 0.00 C ATOM 1737 C HIS A 109 7.118 -6.744 -12.509 1.00 0.00 C ATOM 1738 O HIS A 109 6.669 -7.271 -13.528 1.00 0.00 O ATOM 1739 CB HIS A 109 7.861 -8.329 -10.678 1.00 0.00 C ATOM 1740 CG HIS A 109 8.978 -8.997 -9.920 1.00 0.00 C ATOM 1741 ND1 HIS A 109 9.949 -9.834 -10.475 1.00 0.00 N ATOM 1742 CD2 HIS A 109 9.205 -8.881 -8.580 1.00 0.00 C ATOM 1743 CE1 HIS A 109 10.740 -10.197 -9.452 1.00 0.00 C ATOM 1744 NE2 HIS A 109 10.320 -9.641 -8.301 1.00 0.00 N ATOM 0 H HIS A 109 8.830 -5.711 -10.596 1.00 0.00 H new ATOM 0 HA HIS A 109 8.871 -7.909 -12.568 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.242 -7.773 -9.974 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.228 -9.098 -11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 109 8.624 -8.305 -7.875 1.00 0.00 H new ATOM 0 HE1 HIS A 109 11.598 -10.847 -9.541 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.751 -9.761 -7.384 1.00 0.00 H new ATOM 1752 N CYS A 110 6.616 -5.593 -12.042 1.00 0.00 N ATOM 1753 CA CYS A 110 5.424 -4.931 -12.612 1.00 0.00 C ATOM 1754 C CYS A 110 5.721 -4.035 -13.834 1.00 0.00 C ATOM 1755 O CYS A 110 4.806 -3.425 -14.386 1.00 0.00 O ATOM 1756 CB CYS A 110 4.689 -4.155 -11.509 1.00 0.00 C ATOM 1757 SG CYS A 110 4.322 -5.112 -10.010 1.00 0.00 S ATOM 0 H CYS A 110 7.024 -5.089 -11.255 1.00 0.00 H new ATOM 0 HA CYS A 110 4.780 -5.720 -12.999 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.292 -3.290 -11.231 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.753 -3.774 -11.916 1.00 0.00 H new ATOM 0 HG CYS A 110 3.705 -4.355 -9.152 1.00 0.00 H new ATOM 1762 N GLN A 111 6.984 -3.951 -14.272 1.00 0.00 N ATOM 1763 CA GLN A 111 7.395 -3.158 -15.441 1.00 0.00 C ATOM 1764 C GLN A 111 7.036 -3.834 -16.776 1.00 0.00 C ATOM 1765 O GLN A 111 6.750 -3.139 -17.753 1.00 0.00 O ATOM 1766 CB GLN A 111 8.915 -2.906 -15.401 1.00 0.00 C ATOM 1767 CG GLN A 111 9.415 -2.160 -14.153 1.00 0.00 C ATOM 1768 CD GLN A 111 8.790 -0.774 -13.992 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.042 0.150 -14.754 1.00 0.00 O ATOM 1770 NE2 GLN A 111 7.951 -0.575 -12.999 1.00 0.00 N ATOM 0 H GLN A 111 7.759 -4.437 -13.820 1.00 0.00 H new ATOM 0 HA GLN A 111 6.848 -2.217 -15.387 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.429 -3.865 -15.464 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.197 -2.335 -16.285 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.194 -2.757 -13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.499 -2.059 -14.207 1.00 0.00 H new ATOM 0 HE21 GLN A 111 7.732 -1.336 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.519 0.340 -12.872 1.00 0.00 H new ATOM 1779 N GLY A 112 7.049 -5.175 -16.832 1.00 0.00 N ATOM 1780 CA GLY A 112 6.824 -5.944 -18.067 1.00 0.00 C ATOM 1781 C GLY A 112 5.351 -6.242 -18.356 1.00 0.00 C ATOM 1782 O GLY A 112 4.961 -6.321 -19.521 1.00 0.00 O ATOM 0 H GLY A 112 7.217 -5.761 -16.015 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.244 -5.392 -18.908 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.368 -6.886 -18.000 1.00 0.00 H new ATOM 1786 N SER A 113 4.530 -6.377 -17.313 1.00 0.00 N ATOM 1787 CA SER A 113 3.119 -6.783 -17.390 1.00 0.00 C ATOM 1788 C SER A 113 2.316 -6.233 -16.199 1.00 0.00 C ATOM 1789 O SER A 113 2.732 -6.371 -15.044 1.00 0.00 O ATOM 1790 CB SER A 113 2.995 -8.319 -17.386 1.00 0.00 C ATOM 1791 OG SER A 113 3.535 -8.920 -18.557 1.00 0.00 O ATOM 0 H SER A 113 4.837 -6.201 -16.356 1.00 0.00 H new ATOM 0 HA SER A 113 2.719 -6.376 -18.319 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.507 -8.718 -16.510 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.944 -8.594 -17.294 1.00 0.00 H new ATOM 0 HG SER A 113 3.432 -9.893 -18.502 1.00 0.00 H new ATOM 1797 N LEU A 114 1.148 -5.638 -16.476 1.00 0.00 N ATOM 1798 CA LEU A 114 0.156 -5.197 -15.491 1.00 0.00 C ATOM 1799 C LEU A 114 -1.203 -5.893 -15.732 1.00 0.00 C ATOM 1800 O LEU A 114 -1.526 -6.190 -16.888 1.00 0.00 O ATOM 1801 CB LEU A 114 0.006 -3.672 -15.609 1.00 0.00 C ATOM 1802 CG LEU A 114 1.249 -2.863 -15.189 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.039 -1.406 -15.603 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.501 -2.941 -13.676 1.00 0.00 C ATOM 0 H LEU A 114 0.858 -5.443 -17.434 1.00 0.00 H new ATOM 0 HA LEU A 114 0.489 -5.464 -14.488 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.239 -3.424 -16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.839 -3.356 -14.997 1.00 0.00 H new ATOM 0 HG LEU A 114 2.123 -3.286 -15.684 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.909 -0.817 -15.314 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.906 -1.350 -16.683 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.152 -1.011 -15.107 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.386 -2.357 -13.424 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.639 -2.541 -13.142 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.657 -3.980 -13.386 1.00 0.00 H new ATOM 1816 N PRO A 115 -2.023 -6.115 -14.686 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.337 -6.735 -14.808 1.00 0.00 C ATOM 1818 C PRO A 115 -4.339 -5.787 -15.473 1.00 0.00 C ATOM 1819 O PRO A 115 -4.211 -4.566 -15.391 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.757 -7.070 -13.377 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.082 -5.981 -12.548 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.768 -5.767 -13.296 1.00 0.00 C ATOM 0 HA PRO A 115 -3.307 -7.624 -15.439 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.841 -7.050 -13.261 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.423 -8.065 -13.082 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.680 -5.071 -12.509 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.916 -6.298 -11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.436 -4.732 -13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.978 -6.391 -12.878 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.357 -6.360 -16.115 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.509 -5.623 -16.644 1.00 0.00 C ATOM 1832 C ASP A 116 -7.499 -5.246 -15.523 1.00 0.00 C ATOM 1833 O ASP A 116 -7.757 -6.016 -14.594 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.192 -6.458 -17.741 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.450 -5.798 -18.339 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.511 -4.547 -18.437 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.381 -6.545 -18.717 1.00 0.00 O ATOM 0 H ASP A 116 -5.407 -7.364 -16.286 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.159 -4.688 -17.081 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.476 -6.643 -18.542 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.465 -7.429 -17.327 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.067 -4.045 -15.646 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.053 -3.448 -14.729 1.00 0.00 C ATOM 1844 C ILE A 117 -10.296 -2.901 -15.453 1.00 0.00 C ATOM 1845 O ILE A 117 -11.201 -2.380 -14.811 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.393 -2.327 -13.895 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.912 -1.188 -14.825 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.265 -2.884 -13.004 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.523 0.071 -14.067 1.00 0.00 C ATOM 0 H ILE A 117 -7.844 -3.427 -16.426 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.395 -4.249 -14.073 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.135 -1.905 -13.217 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.057 -1.536 -15.405 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.703 -0.948 -15.536 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.820 -2.071 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.675 -3.629 -12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.502 -3.346 -13.630 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.194 0.834 -14.773 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.383 0.440 -13.509 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.712 -0.157 -13.375 1.00 0.00 H new ATOM 1861 N SER A 118 -10.354 -2.978 -16.782 1.00 0.00 N ATOM 1862 CA SER A 118 -11.452 -2.406 -17.586 1.00 0.00 C ATOM 1863 C SER A 118 -12.811 -3.118 -17.398 1.00 0.00 C ATOM 1864 O SER A 118 -13.854 -2.603 -17.806 1.00 0.00 O ATOM 1865 CB SER A 118 -11.053 -2.344 -19.071 1.00 0.00 C ATOM 1866 OG SER A 118 -10.821 -3.625 -19.643 1.00 0.00 O ATOM 0 H SER A 118 -9.639 -3.441 -17.342 1.00 0.00 H new ATOM 0 HA SER A 118 -11.607 -1.394 -17.212 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.841 -1.840 -19.631 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.152 -1.739 -19.173 1.00 0.00 H new ATOM 0 HG SER A 118 -10.065 -4.053 -19.190 1.00 0.00 H new ATOM 1872 N SER A 119 -12.825 -4.274 -16.730 1.00 0.00 N ATOM 1873 CA SER A 119 -14.022 -4.991 -16.272 1.00 0.00 C ATOM 1874 C SER A 119 -14.543 -4.531 -14.893 1.00 0.00 C ATOM 1875 O SER A 119 -15.652 -4.910 -14.496 1.00 0.00 O ATOM 1876 CB SER A 119 -13.692 -6.491 -16.225 1.00 0.00 C ATOM 1877 OG SER A 119 -12.523 -6.749 -15.451 1.00 0.00 O ATOM 0 H SER A 119 -11.963 -4.760 -16.481 1.00 0.00 H new ATOM 0 HA SER A 119 -14.822 -4.771 -16.979 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.536 -7.036 -15.803 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.547 -6.864 -17.239 1.00 0.00 H new ATOM 0 HG SER A 119 -12.343 -7.712 -15.441 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.769 -3.716 -14.163 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.058 -3.238 -12.806 1.00 0.00 C ATOM 1885 C CYS A 120 -14.820 -1.895 -12.812 1.00 0.00 C ATOM 1886 O CYS A 120 -15.893 -1.819 -12.174 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.736 -3.130 -12.027 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.691 -4.613 -12.038 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.321 -0.903 -13.396 1.00 0.00 O ATOM 0 H CYS A 120 -12.884 -3.356 -14.520 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.715 -3.955 -12.313 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.161 -2.300 -12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.966 -2.878 -10.992 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.445 -4.265 -12.162 1.00 0.00 H new TER 1894 CYS A 120