USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 975 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 121 CYS SG : rot -33:sc= 1.15 USER MOD Set 1.2: A 125 ASN :FLIP amide:sc= -2.34! F(o=-3.4,f=-1.2!) USER MOD Set 2.1: A 109 MET CE :methyl -156:sc= -0.0189 (180deg=0) USER MOD Set 2.2: A 120 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-6!) USER MOD Set 3.1: A 60 CYS SG : rot 150:sc= 1.03 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -170:sc= 0.155 (180deg=-1.49) USER MOD Set 4.1: A 50 GLN : amide:sc= -5.42! C(o=-7.4!,f=-8.6!) USER MOD Set 4.2: A 52 THR OG1 : rot -85:sc= -1.98! USER MOD Set 5.1: A 32 SER OG : rot -60:sc= -0.111 USER MOD Set 5.2: A 34 LYS NZ :NH3+ -146:sc= 0.0266 (180deg=-0.486) USER MOD Set 5.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 148:sc= -0.845 (180deg=-3.15!) USER MOD Single : A 31 MET CE :methyl -167:sc= -2.39! (180deg=-3.18!) USER MOD Single : A 36 THR OG1 : rot 48:sc= -0.101! USER MOD Single : A 37 THR OG1 : rot 83:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 9:sc= 1.63 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 SER OG : rot 180:sc= -0.678 USER MOD Single : A 58 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -153:sc= -2.26! USER MOD Single : A 68 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.3!) USER MOD Single : A 80 CYS SG : rot -52:sc= 0.528 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 88 CYS SG : rot 120:sc= 1.19 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= -0.16 (180deg=-0.861) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= -4.31! (180deg=-4.44!) USER MOD Single : A 110 GLN : amide:sc= -5.11! C(o=-5.1!,f=-6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.733 K(o=-0.73,f=-3.4) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : B 950 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 94.166 -7.064 20.463 1.00 0.00 N ATOM 18 CA LYS A 21 95.281 -6.535 19.683 1.00 0.00 C ATOM 19 C LYS A 21 94.934 -6.488 18.194 1.00 0.00 C ATOM 20 O LYS A 21 94.570 -5.438 17.664 1.00 0.00 O ATOM 21 CB LYS A 21 96.531 -7.405 19.880 1.00 0.00 C ATOM 22 CG LYS A 21 96.139 -8.879 20.084 1.00 0.00 C ATOM 23 CD LYS A 21 96.197 -9.245 21.571 1.00 0.00 C ATOM 24 CE LYS A 21 97.630 -9.626 21.941 1.00 0.00 C ATOM 25 NZ LYS A 21 97.709 -9.919 23.398 1.00 0.00 N ATOM 0 HA LYS A 21 95.480 -5.522 20.034 1.00 0.00 H new ATOM 0 HB2 LYS A 21 97.184 -7.314 19.012 1.00 0.00 H new ATOM 0 HB3 LYS A 21 97.095 -7.050 20.743 1.00 0.00 H new ATOM 0 HG2 LYS A 21 95.134 -9.051 19.699 1.00 0.00 H new ATOM 0 HG3 LYS A 21 96.812 -9.523 19.518 1.00 0.00 H new ATOM 0 HD2 LYS A 21 95.864 -8.403 22.178 1.00 0.00 H new ATOM 0 HD3 LYS A 21 95.522 -10.075 21.780 1.00 0.00 H new ATOM 0 HE2 LYS A 21 97.945 -10.498 21.367 1.00 0.00 H new ATOM 0 HE3 LYS A 21 98.310 -8.814 21.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 98.685 -10.178 23.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 97.426 -9.076 23.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 97.072 -10.708 23.629 1.00 0.00 H new ATOM 39 N TYR A 22 95.052 -7.634 17.530 1.00 0.00 N ATOM 40 CA TYR A 22 94.753 -7.726 16.102 1.00 0.00 C ATOM 41 C TYR A 22 93.551 -8.630 15.871 1.00 0.00 C ATOM 42 O TYR A 22 93.549 -9.789 16.287 1.00 0.00 O ATOM 43 CB TYR A 22 95.955 -8.302 15.361 1.00 0.00 C ATOM 44 CG TYR A 22 97.148 -7.401 15.564 1.00 0.00 C ATOM 45 CD1 TYR A 22 98.225 -7.819 16.357 1.00 0.00 C ATOM 46 CD2 TYR A 22 97.172 -6.141 14.961 1.00 0.00 C ATOM 47 CE1 TYR A 22 99.328 -6.974 16.542 1.00 0.00 C ATOM 48 CE2 TYR A 22 98.272 -5.295 15.145 1.00 0.00 C ATOM 49 CZ TYR A 22 99.351 -5.712 15.936 1.00 0.00 C ATOM 50 OH TYR A 22 100.436 -4.879 16.116 1.00 0.00 O ATOM 0 H TYR A 22 95.352 -8.511 17.956 1.00 0.00 H new ATOM 0 HA TYR A 22 94.530 -6.726 15.729 1.00 0.00 H new ATOM 0 HB2 TYR A 22 96.176 -9.304 15.728 1.00 0.00 H new ATOM 0 HB3 TYR A 22 95.731 -8.394 14.298 1.00 0.00 H new ATOM 0 HD1 TYR A 22 98.205 -8.792 16.826 1.00 0.00 H new ATOM 0 HD2 TYR A 22 96.340 -5.819 14.352 1.00 0.00 H new ATOM 0 HE1 TYR A 22 100.159 -7.296 17.151 1.00 0.00 H new ATOM 0 HE2 TYR A 22 98.289 -4.322 14.678 1.00 0.00 H new ATOM 0 HH TYR A 22 100.291 -4.043 15.626 1.00 0.00 H new ATOM 60 N LEU A 23 92.536 -8.100 15.201 1.00 0.00 N ATOM 61 CA LEU A 23 91.339 -8.873 14.915 1.00 0.00 C ATOM 62 C LEU A 23 91.288 -9.228 13.436 1.00 0.00 C ATOM 63 O LEU A 23 91.330 -10.399 13.063 1.00 0.00 O ATOM 64 CB LEU A 23 90.102 -8.059 15.297 1.00 0.00 C ATOM 65 CG LEU A 23 89.195 -8.873 16.219 1.00 0.00 C ATOM 66 CD1 LEU A 23 88.795 -10.176 15.524 1.00 0.00 C ATOM 67 CD2 LEU A 23 89.924 -9.189 17.532 1.00 0.00 C ATOM 0 H LEU A 23 92.519 -7.143 14.848 1.00 0.00 H new ATOM 0 HA LEU A 23 91.360 -9.794 15.497 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.404 -7.137 15.794 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.555 -7.772 14.399 1.00 0.00 H new ATOM 0 HG LEU A 23 88.301 -8.291 16.443 1.00 0.00 H new ATOM 0 HD11 LEU A 23 88.148 -10.756 16.182 1.00 0.00 H new ATOM 0 HD12 LEU A 23 88.262 -9.947 14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 23 89.689 -10.754 15.293 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.269 -9.769 18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.825 -9.764 17.319 1.00 0.00 H new ATOM 0 HD23 LEU A 23 90.197 -8.258 18.030 1.00 0.00 H new ATOM 79 N VAL A 24 91.206 -8.205 12.602 1.00 0.00 N ATOM 80 CA VAL A 24 91.161 -8.405 11.165 1.00 0.00 C ATOM 81 C VAL A 24 91.979 -7.337 10.454 1.00 0.00 C ATOM 82 O VAL A 24 91.681 -6.145 10.540 1.00 0.00 O ATOM 83 CB VAL A 24 89.718 -8.364 10.667 1.00 0.00 C ATOM 84 CG1 VAL A 24 89.093 -9.753 10.794 1.00 0.00 C ATOM 85 CG2 VAL A 24 88.907 -7.366 11.497 1.00 0.00 C ATOM 0 H VAL A 24 91.169 -7.229 12.896 1.00 0.00 H new ATOM 0 HA VAL A 24 91.586 -9.384 10.943 1.00 0.00 H new ATOM 0 HB VAL A 24 89.711 -8.053 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 24 88.063 -9.722 10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 24 89.663 -10.464 10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.107 -10.064 11.839 1.00 0.00 H new ATOM 0 HG21 VAL A 24 87.879 -7.343 11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 24 88.917 -7.670 12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 24 89.347 -6.373 11.404 1.00 0.00 H new ATOM 95 N GLU A 25 93.011 -7.772 9.749 1.00 0.00 N ATOM 96 CA GLU A 25 93.867 -6.845 9.029 1.00 0.00 C ATOM 97 C GLU A 25 94.271 -7.422 7.672 1.00 0.00 C ATOM 98 O GLU A 25 94.494 -8.623 7.535 1.00 0.00 O ATOM 99 CB GLU A 25 95.107 -6.533 9.883 1.00 0.00 C ATOM 100 CG GLU A 25 95.842 -7.827 10.253 1.00 0.00 C ATOM 101 CD GLU A 25 95.283 -8.386 11.556 1.00 0.00 C ATOM 102 OE1 GLU A 25 94.183 -8.002 11.922 1.00 0.00 O ATOM 103 OE2 GLU A 25 95.958 -9.201 12.163 1.00 0.00 O ATOM 0 H GLU A 25 93.274 -8.753 9.660 1.00 0.00 H new ATOM 0 HA GLU A 25 93.320 -5.921 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 25 95.777 -5.871 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 25 94.809 -6.005 10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 25 95.730 -8.560 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 25 96.909 -7.632 10.359 1.00 0.00 H new ATOM 110 N PHE A 26 94.353 -6.558 6.667 1.00 0.00 N ATOM 111 CA PHE A 26 94.728 -7.003 5.326 1.00 0.00 C ATOM 112 C PHE A 26 94.742 -5.831 4.349 1.00 0.00 C ATOM 113 O PHE A 26 94.356 -4.715 4.694 1.00 0.00 O ATOM 114 CB PHE A 26 93.750 -8.075 4.829 1.00 0.00 C ATOM 115 CG PHE A 26 94.439 -9.423 4.806 1.00 0.00 C ATOM 116 CD1 PHE A 26 94.045 -10.432 5.697 1.00 0.00 C ATOM 117 CD2 PHE A 26 95.476 -9.666 3.895 1.00 0.00 C ATOM 118 CE1 PHE A 26 94.686 -11.677 5.677 1.00 0.00 C ATOM 119 CE2 PHE A 26 96.115 -10.912 3.874 1.00 0.00 C ATOM 120 CZ PHE A 26 95.720 -11.917 4.765 1.00 0.00 C ATOM 0 H PHE A 26 94.168 -5.558 6.750 1.00 0.00 H new ATOM 0 HA PHE A 26 95.731 -7.426 5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 26 92.876 -8.113 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 26 93.393 -7.821 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 26 93.246 -10.248 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 26 95.783 -8.891 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 26 94.382 -12.452 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 26 96.913 -11.098 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 26 96.213 -12.878 4.749 1.00 0.00 H new ATOM 130 N ARG A 27 95.192 -6.095 3.128 1.00 0.00 N ATOM 131 CA ARG A 27 95.256 -5.056 2.107 1.00 0.00 C ATOM 132 C ARG A 27 93.941 -4.983 1.339 1.00 0.00 C ATOM 133 O ARG A 27 93.119 -5.894 1.411 1.00 0.00 O ATOM 134 CB ARG A 27 96.403 -5.345 1.136 1.00 0.00 C ATOM 135 CG ARG A 27 97.694 -5.585 1.925 1.00 0.00 C ATOM 136 CD ARG A 27 98.848 -5.849 0.955 1.00 0.00 C ATOM 137 NE ARG A 27 99.109 -7.281 0.858 1.00 0.00 N ATOM 138 CZ ARG A 27 99.894 -7.899 1.736 1.00 0.00 C ATOM 139 NH1 ARG A 27 100.110 -9.181 1.628 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.449 -7.222 2.704 1.00 0.00 N ATOM 0 H ARG A 27 95.516 -7.013 2.822 1.00 0.00 H new ATOM 0 HA ARG A 27 95.432 -4.099 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 27 96.168 -6.219 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 27 96.533 -4.507 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.919 -4.718 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.569 -6.434 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.604 -5.449 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 27 99.745 -5.331 1.296 1.00 0.00 H new ATOM 0 HE ARG A 27 98.682 -7.818 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 27 99.677 -9.709 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 27 100.712 -9.655 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 27 100.281 -6.219 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.051 -7.696 3.378 1.00 0.00 H new ATOM 154 N ALA A 28 93.743 -3.888 0.614 1.00 0.00 N ATOM 155 CA ALA A 28 92.523 -3.708 -0.158 1.00 0.00 C ATOM 156 C ALA A 28 92.681 -2.554 -1.136 1.00 0.00 C ATOM 157 O ALA A 28 93.537 -1.688 -0.953 1.00 0.00 O ATOM 158 CB ALA A 28 91.350 -3.424 0.773 1.00 0.00 C ATOM 0 H ALA A 28 94.408 -3.117 0.546 1.00 0.00 H new ATOM 0 HA ALA A 28 92.330 -4.625 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 28 90.442 -3.291 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 91.219 -4.261 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.549 -2.516 1.343 1.00 0.00 H new ATOM 164 N GLY A 29 91.848 -2.545 -2.169 1.00 0.00 N ATOM 165 CA GLY A 29 91.900 -1.480 -3.169 1.00 0.00 C ATOM 166 C GLY A 29 90.588 -0.706 -3.220 1.00 0.00 C ATOM 167 O GLY A 29 89.508 -1.275 -3.050 1.00 0.00 O ATOM 0 H GLY A 29 91.134 -3.254 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 29 92.718 -0.799 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 29 92.111 -1.908 -4.149 1.00 0.00 H new ATOM 171 N LYS A 30 90.692 0.597 -3.458 1.00 0.00 N ATOM 172 CA LYS A 30 89.512 1.451 -3.536 1.00 0.00 C ATOM 173 C LYS A 30 89.021 1.557 -4.975 1.00 0.00 C ATOM 174 O LYS A 30 89.511 0.856 -5.861 1.00 0.00 O ATOM 175 CB LYS A 30 89.836 2.849 -3.006 1.00 0.00 C ATOM 176 CG LYS A 30 88.999 3.131 -1.758 1.00 0.00 C ATOM 177 CD LYS A 30 89.267 4.558 -1.275 1.00 0.00 C ATOM 178 CE LYS A 30 88.238 4.941 -0.211 1.00 0.00 C ATOM 179 NZ LYS A 30 88.401 4.054 0.976 1.00 0.00 N ATOM 0 H LYS A 30 91.577 1.083 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 30 88.728 1.004 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 30 90.897 2.922 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 30 89.629 3.596 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 30 87.940 3.004 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 30 89.247 2.417 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 30 90.274 4.631 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 30 89.214 5.253 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 30 88.369 5.983 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 30 87.230 4.847 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 88.152 4.579 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 87.776 3.228 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 89.389 3.735 1.038 1.00 0.00 H new ATOM 193 N MET A 31 88.055 2.442 -5.201 1.00 0.00 N ATOM 194 CA MET A 31 87.510 2.635 -6.539 1.00 0.00 C ATOM 195 C MET A 31 87.475 4.122 -6.890 1.00 0.00 C ATOM 196 O MET A 31 87.107 4.955 -6.064 1.00 0.00 O ATOM 197 CB MET A 31 86.097 2.049 -6.612 1.00 0.00 C ATOM 198 CG MET A 31 86.146 0.557 -6.261 1.00 0.00 C ATOM 199 SD MET A 31 84.562 -0.228 -6.658 1.00 0.00 S ATOM 200 CE MET A 31 84.883 -0.536 -8.415 1.00 0.00 C ATOM 0 H MET A 31 87.637 3.032 -4.481 1.00 0.00 H new ATOM 0 HA MET A 31 88.150 2.122 -7.257 1.00 0.00 H new ATOM 0 HB2 MET A 31 85.437 2.575 -5.922 1.00 0.00 H new ATOM 0 HB3 MET A 31 85.686 2.185 -7.612 1.00 0.00 H new ATOM 0 HG2 MET A 31 86.950 0.072 -6.814 1.00 0.00 H new ATOM 0 HG3 MET A 31 86.367 0.432 -5.201 1.00 0.00 H new ATOM 0 HE1 MET A 31 83.952 -0.806 -8.913 1.00 0.00 H new ATOM 0 HE2 MET A 31 85.292 0.364 -8.873 1.00 0.00 H new ATOM 0 HE3 MET A 31 85.599 -1.352 -8.517 1.00 0.00 H new ATOM 210 N SER A 32 87.853 4.445 -8.123 1.00 0.00 N ATOM 211 CA SER A 32 87.857 5.819 -8.582 1.00 0.00 C ATOM 212 C SER A 32 86.430 6.261 -8.891 1.00 0.00 C ATOM 213 O SER A 32 85.838 5.806 -9.870 1.00 0.00 O ATOM 214 CB SER A 32 88.706 5.919 -9.848 1.00 0.00 C ATOM 215 OG SER A 32 87.909 6.417 -10.912 1.00 0.00 O ATOM 0 H SER A 32 88.161 3.767 -8.820 1.00 0.00 H new ATOM 0 HA SER A 32 88.272 6.463 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 32 89.557 6.578 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 89.108 4.940 -10.108 1.00 0.00 H new ATOM 0 HG SER A 32 87.155 5.811 -11.067 1.00 0.00 H new ATOM 221 N LEU A 33 85.878 7.133 -8.051 1.00 0.00 N ATOM 222 CA LEU A 33 84.513 7.605 -8.257 1.00 0.00 C ATOM 223 C LEU A 33 84.520 9.022 -8.815 1.00 0.00 C ATOM 224 O LEU A 33 84.751 9.983 -8.081 1.00 0.00 O ATOM 225 CB LEU A 33 83.743 7.586 -6.935 1.00 0.00 C ATOM 226 CG LEU A 33 82.262 7.903 -7.187 1.00 0.00 C ATOM 227 CD1 LEU A 33 81.628 6.805 -8.053 1.00 0.00 C ATOM 228 CD2 LEU A 33 81.528 7.978 -5.848 1.00 0.00 C ATOM 0 H LEU A 33 86.347 7.522 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 33 84.025 6.941 -8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 33 83.839 6.609 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 84.168 8.316 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 33 82.184 8.857 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 80.578 7.039 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 33 82.149 6.749 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 33 81.706 5.846 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 33 80.476 8.203 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 33 81.614 7.022 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 33 81.970 8.763 -5.234 1.00 0.00 H new ATOM 240 N LYS A 34 84.257 9.147 -10.113 1.00 0.00 N ATOM 241 CA LYS A 34 84.235 10.462 -10.750 1.00 0.00 C ATOM 242 C LYS A 34 83.090 10.555 -11.756 1.00 0.00 C ATOM 243 O LYS A 34 82.866 9.628 -12.532 1.00 0.00 O ATOM 244 CB LYS A 34 85.567 10.708 -11.465 1.00 0.00 C ATOM 245 CG LYS A 34 86.629 11.137 -10.446 1.00 0.00 C ATOM 246 CD LYS A 34 88.022 10.784 -10.973 1.00 0.00 C ATOM 247 CE LYS A 34 88.382 9.355 -10.549 1.00 0.00 C ATOM 248 NZ LYS A 34 89.628 8.933 -11.248 1.00 0.00 N ATOM 0 H LYS A 34 84.059 8.366 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 34 84.085 11.219 -9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.888 9.802 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 34 85.446 11.480 -12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 34 86.560 12.209 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 34 86.454 10.639 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 34 88.044 10.869 -12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 34 88.759 11.487 -10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 34 88.524 9.309 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 34 87.566 8.675 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 89.583 7.914 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 89.723 9.462 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 90.450 9.128 -10.641 1.00 0.00 H new ATOM 262 N GLY A 35 82.371 11.678 -11.745 1.00 0.00 N ATOM 263 CA GLY A 35 81.260 11.872 -12.677 1.00 0.00 C ATOM 264 C GLY A 35 80.472 10.580 -12.853 1.00 0.00 C ATOM 265 O GLY A 35 80.331 10.073 -13.965 1.00 0.00 O ATOM 0 H GLY A 35 82.535 12.459 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 80.601 12.658 -12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 81.642 12.205 -13.642 1.00 0.00 H new ATOM 269 N THR A 36 79.992 10.039 -11.744 1.00 0.00 N ATOM 270 CA THR A 36 79.252 8.785 -11.770 1.00 0.00 C ATOM 271 C THR A 36 80.020 7.741 -12.571 1.00 0.00 C ATOM 272 O THR A 36 79.547 7.253 -13.596 1.00 0.00 O ATOM 273 CB THR A 36 77.881 8.985 -12.409 1.00 0.00 C ATOM 274 OG1 THR A 36 78.010 9.826 -13.549 1.00 0.00 O ATOM 275 CG2 THR A 36 76.920 9.623 -11.408 1.00 0.00 C ATOM 0 H THR A 36 80.101 10.447 -10.816 1.00 0.00 H new ATOM 0 HA THR A 36 79.126 8.445 -10.742 1.00 0.00 H new ATOM 0 HB THR A 36 77.484 8.016 -12.710 1.00 0.00 H new ATOM 0 HG1 THR A 36 78.753 9.512 -14.105 1.00 0.00 H new ATOM 0 HG21 THR A 36 75.945 9.760 -11.876 1.00 0.00 H new ATOM 0 HG22 THR A 36 76.817 8.974 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 36 77.311 10.591 -11.094 1.00 0.00 H new ATOM 283 N THR A 37 81.196 7.389 -12.074 1.00 0.00 N ATOM 284 CA THR A 37 82.033 6.381 -12.719 1.00 0.00 C ATOM 285 C THR A 37 82.801 5.604 -11.661 1.00 0.00 C ATOM 286 O THR A 37 83.712 6.135 -11.037 1.00 0.00 O ATOM 287 CB THR A 37 83.024 7.041 -13.678 1.00 0.00 C ATOM 288 OG1 THR A 37 82.336 7.963 -14.512 1.00 0.00 O ATOM 289 CG2 THR A 37 83.692 5.972 -14.542 1.00 0.00 C ATOM 0 H THR A 37 81.596 7.786 -11.224 1.00 0.00 H new ATOM 0 HA THR A 37 81.391 5.705 -13.284 1.00 0.00 H new ATOM 0 HB THR A 37 83.785 7.569 -13.103 1.00 0.00 H new ATOM 0 HG1 THR A 37 82.235 8.817 -14.042 1.00 0.00 H new ATOM 0 HG21 THR A 37 84.398 6.445 -15.225 1.00 0.00 H new ATOM 0 HG22 THR A 37 84.223 5.267 -13.903 1.00 0.00 H new ATOM 0 HG23 THR A 37 82.932 5.441 -15.116 1.00 0.00 H new ATOM 297 N VAL A 38 82.426 4.352 -11.463 1.00 0.00 N ATOM 298 CA VAL A 38 83.075 3.513 -10.466 1.00 0.00 C ATOM 299 C VAL A 38 84.059 2.560 -11.125 1.00 0.00 C ATOM 300 O VAL A 38 83.656 1.548 -11.687 1.00 0.00 O ATOM 301 CB VAL A 38 82.015 2.687 -9.736 1.00 0.00 C ATOM 302 CG1 VAL A 38 82.636 1.982 -8.529 1.00 0.00 C ATOM 303 CG2 VAL A 38 80.871 3.590 -9.275 1.00 0.00 C ATOM 0 H VAL A 38 81.675 3.892 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 38 83.610 4.156 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 38 81.622 1.937 -10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.872 1.397 -8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.435 1.321 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.044 2.725 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.122 2.992 -8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.259 4.352 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.416 4.071 -10.141 1.00 0.00 H new ATOM 313 N THR A 39 85.345 2.884 -11.038 1.00 0.00 N ATOM 314 CA THR A 39 86.379 2.045 -11.626 1.00 0.00 C ATOM 315 C THR A 39 87.442 1.706 -10.584 1.00 0.00 C ATOM 316 O THR A 39 87.552 2.391 -9.569 1.00 0.00 O ATOM 317 CB THR A 39 87.039 2.796 -12.771 1.00 0.00 C ATOM 318 OG1 THR A 39 88.336 3.215 -12.374 1.00 0.00 O ATOM 319 CG2 THR A 39 86.202 4.019 -13.144 1.00 0.00 C ATOM 0 H THR A 39 85.694 3.719 -10.567 1.00 0.00 H new ATOM 0 HA THR A 39 85.923 1.124 -11.988 1.00 0.00 H new ATOM 0 HB THR A 39 87.114 2.137 -13.636 1.00 0.00 H new ATOM 0 HG1 THR A 39 88.764 3.698 -13.112 1.00 0.00 H new ATOM 0 HG21 THR A 39 86.682 4.552 -13.965 1.00 0.00 H new ATOM 0 HG22 THR A 39 85.207 3.699 -13.452 1.00 0.00 H new ATOM 0 HG23 THR A 39 86.120 4.680 -12.282 1.00 0.00 H new ATOM 327 N PRO A 40 88.228 0.683 -10.811 1.00 0.00 N ATOM 328 CA PRO A 40 89.308 0.281 -9.866 1.00 0.00 C ATOM 329 C PRO A 40 90.297 1.412 -9.595 1.00 0.00 C ATOM 330 O PRO A 40 90.914 1.948 -10.514 1.00 0.00 O ATOM 331 CB PRO A 40 90.015 -0.879 -10.578 1.00 0.00 C ATOM 332 CG PRO A 40 89.563 -0.822 -11.998 1.00 0.00 C ATOM 333 CD PRO A 40 88.170 -0.220 -11.968 1.00 0.00 C ATOM 0 HA PRO A 40 88.901 0.012 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 40 91.098 -0.778 -10.508 1.00 0.00 H new ATOM 0 HB3 PRO A 40 89.754 -1.834 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 40 90.239 -0.213 -12.599 1.00 0.00 H new ATOM 0 HG3 PRO A 40 89.549 -1.817 -12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 40 87.942 0.317 -12.889 1.00 0.00 H new ATOM 0 HD3 PRO A 40 87.402 -0.984 -11.846 1.00 0.00 H new ATOM 341 N ASP A 41 90.453 1.756 -8.320 1.00 0.00 N ATOM 342 CA ASP A 41 91.379 2.811 -7.928 1.00 0.00 C ATOM 343 C ASP A 41 92.824 2.347 -8.094 1.00 0.00 C ATOM 344 O ASP A 41 93.206 1.281 -7.611 1.00 0.00 O ATOM 345 CB ASP A 41 91.140 3.212 -6.472 1.00 0.00 C ATOM 346 CG ASP A 41 92.032 4.394 -6.103 1.00 0.00 C ATOM 347 OD1 ASP A 41 92.893 4.731 -6.899 1.00 0.00 O ATOM 348 OD2 ASP A 41 91.841 4.943 -5.031 1.00 0.00 O ATOM 0 H ASP A 41 89.952 1.321 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 41 91.205 3.672 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 90.093 3.477 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 41 91.350 2.368 -5.815 1.00 0.00 H new ATOM 353 N LYS A 42 93.621 3.157 -8.780 1.00 0.00 N ATOM 354 CA LYS A 42 95.024 2.828 -9.006 1.00 0.00 C ATOM 355 C LYS A 42 95.782 2.790 -7.686 1.00 0.00 C ATOM 356 O LYS A 42 96.784 2.088 -7.553 1.00 0.00 O ATOM 357 CB LYS A 42 95.662 3.870 -9.930 1.00 0.00 C ATOM 358 CG LYS A 42 95.103 3.698 -11.346 1.00 0.00 C ATOM 359 CD LYS A 42 95.327 4.975 -12.172 1.00 0.00 C ATOM 360 CE LYS A 42 96.814 5.151 -12.500 1.00 0.00 C ATOM 361 NZ LYS A 42 96.984 5.192 -13.981 1.00 0.00 N ATOM 0 H LYS A 42 93.322 4.043 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 42 95.077 1.845 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.453 4.875 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.746 3.752 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 42 95.587 2.852 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 42 94.038 3.471 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 42 94.749 4.924 -13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 42 94.966 5.841 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 42 97.192 6.070 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 42 97.392 4.329 -12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 97.991 5.311 -14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 96.637 4.303 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 96.443 5.990 -14.371 1.00 0.00 H new ATOM 375 N ARG A 43 95.301 3.556 -6.712 1.00 0.00 N ATOM 376 CA ARG A 43 95.949 3.604 -5.406 1.00 0.00 C ATOM 377 C ARG A 43 95.546 2.406 -4.554 1.00 0.00 C ATOM 378 O ARG A 43 94.416 1.925 -4.636 1.00 0.00 O ATOM 379 CB ARG A 43 95.566 4.897 -4.688 1.00 0.00 C ATOM 380 CG ARG A 43 96.147 6.093 -5.445 1.00 0.00 C ATOM 381 CD ARG A 43 95.557 7.384 -4.879 1.00 0.00 C ATOM 382 NE ARG A 43 94.132 7.458 -5.186 1.00 0.00 N ATOM 383 CZ ARG A 43 93.360 8.397 -4.651 1.00 0.00 C ATOM 384 NH1 ARG A 43 92.093 8.453 -4.958 1.00 0.00 N ATOM 385 NH2 ARG A 43 93.868 9.262 -3.817 1.00 0.00 N ATOM 0 H ARG A 43 94.474 4.146 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 43 97.028 3.573 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 43 94.481 4.984 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 43 95.943 4.883 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.233 6.104 -5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 43 95.919 6.011 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 95.707 7.420 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 43 96.074 8.246 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 43 93.721 6.776 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 43 91.696 7.776 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 43 91.500 9.174 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 43 94.858 9.217 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 43 93.275 9.983 -3.406 1.00 0.00 H new ATOM 399 N LYS A 44 96.477 1.934 -3.730 1.00 0.00 N ATOM 400 CA LYS A 44 96.206 0.796 -2.857 1.00 0.00 C ATOM 401 C LYS A 44 95.958 1.265 -1.428 1.00 0.00 C ATOM 402 O LYS A 44 96.662 2.137 -0.916 1.00 0.00 O ATOM 403 CB LYS A 44 97.376 -0.193 -2.874 1.00 0.00 C ATOM 404 CG LYS A 44 97.547 -0.766 -4.281 1.00 0.00 C ATOM 405 CD LYS A 44 98.463 -1.993 -4.220 1.00 0.00 C ATOM 406 CE LYS A 44 98.639 -2.577 -5.623 1.00 0.00 C ATOM 407 NZ LYS A 44 99.666 -1.792 -6.363 1.00 0.00 N ATOM 0 H LYS A 44 97.418 2.318 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 44 95.313 0.294 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 44 98.292 0.308 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 44 97.194 -0.999 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.577 -1.042 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 44 97.973 -0.013 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 44 99.433 -1.714 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 44 98.037 -2.744 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 44 98.942 -3.622 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.691 -2.553 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 99.786 -2.189 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 99.359 -0.801 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 100.571 -1.837 -5.853 1.00 0.00 H new ATOM 421 N GLY A 45 94.952 0.673 -0.785 1.00 0.00 N ATOM 422 CA GLY A 45 94.612 1.032 0.585 1.00 0.00 C ATOM 423 C GLY A 45 94.846 -0.136 1.529 1.00 0.00 C ATOM 424 O GLY A 45 94.928 -1.288 1.101 1.00 0.00 O ATOM 0 H GLY A 45 94.363 -0.054 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 45 95.213 1.885 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 93.568 1.341 0.635 1.00 0.00 H new ATOM 428 N LEU A 46 94.954 0.172 2.818 1.00 0.00 N ATOM 429 CA LEU A 46 95.177 -0.861 3.826 1.00 0.00 C ATOM 430 C LEU A 46 94.008 -0.906 4.805 1.00 0.00 C ATOM 431 O LEU A 46 93.715 0.081 5.478 1.00 0.00 O ATOM 432 CB LEU A 46 96.467 -0.567 4.598 1.00 0.00 C ATOM 433 CG LEU A 46 96.834 -1.769 5.483 1.00 0.00 C ATOM 434 CD1 LEU A 46 97.264 -2.962 4.618 1.00 0.00 C ATOM 435 CD2 LEU A 46 97.979 -1.382 6.422 1.00 0.00 C ATOM 0 H LEU A 46 94.891 1.121 3.188 1.00 0.00 H new ATOM 0 HA LEU A 46 95.262 -1.824 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 46 97.278 -0.357 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.337 0.323 5.214 1.00 0.00 H new ATOM 0 HG LEU A 46 95.958 -2.055 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 46 97.520 -3.804 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.445 -3.246 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.132 -2.684 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 46 98.239 -2.235 7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 46 98.848 -1.086 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 46 97.667 -0.549 7.052 1.00 0.00 H new ATOM 447 N VAL A 47 93.356 -2.062 4.887 1.00 0.00 N ATOM 448 CA VAL A 47 92.228 -2.240 5.797 1.00 0.00 C ATOM 449 C VAL A 47 92.694 -2.791 7.133 1.00 0.00 C ATOM 450 O VAL A 47 93.193 -3.913 7.216 1.00 0.00 O ATOM 451 CB VAL A 47 91.208 -3.197 5.182 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.177 -3.590 6.240 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.490 -2.497 4.032 1.00 0.00 C ATOM 0 H VAL A 47 93.588 -2.888 4.336 1.00 0.00 H new ATOM 0 HA VAL A 47 91.766 -1.267 5.961 1.00 0.00 H new ATOM 0 HB VAL A 47 91.721 -4.086 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 47 89.449 -4.273 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 47 90.680 -4.081 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.666 -2.697 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.761 -3.177 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.978 -1.611 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.217 -2.203 3.275 1.00 0.00 H new ATOM 463 N TYR A 48 92.503 -1.997 8.179 1.00 0.00 N ATOM 464 CA TYR A 48 92.883 -2.412 9.518 1.00 0.00 C ATOM 465 C TYR A 48 91.720 -2.183 10.476 1.00 0.00 C ATOM 466 O TYR A 48 91.240 -1.059 10.633 1.00 0.00 O ATOM 467 CB TYR A 48 94.103 -1.612 9.981 1.00 0.00 C ATOM 468 CG TYR A 48 94.570 -2.129 11.319 1.00 0.00 C ATOM 469 CD1 TYR A 48 95.580 -3.096 11.375 1.00 0.00 C ATOM 470 CD2 TYR A 48 93.992 -1.651 12.502 1.00 0.00 C ATOM 471 CE1 TYR A 48 96.014 -3.584 12.609 1.00 0.00 C ATOM 472 CE2 TYR A 48 94.426 -2.142 13.741 1.00 0.00 C ATOM 473 CZ TYR A 48 95.439 -3.108 13.794 1.00 0.00 C ATOM 474 OH TYR A 48 95.865 -3.595 15.013 1.00 0.00 O ATOM 0 H TYR A 48 92.089 -1.066 8.124 1.00 0.00 H new ATOM 0 HA TYR A 48 93.135 -3.472 9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 48 94.905 -1.696 9.248 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.850 -0.555 10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 48 96.024 -3.465 10.463 1.00 0.00 H new ATOM 0 HD2 TYR A 48 93.213 -0.905 12.459 1.00 0.00 H new ATOM 0 HE1 TYR A 48 96.794 -4.330 12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 48 93.980 -1.776 14.654 1.00 0.00 H new ATOM 0 HH TYR A 48 96.661 -4.152 14.883 1.00 0.00 H new ATOM 484 N ILE A 49 91.281 -3.258 11.118 1.00 0.00 N ATOM 485 CA ILE A 49 90.178 -3.183 12.070 1.00 0.00 C ATOM 486 C ILE A 49 90.533 -3.898 13.366 1.00 0.00 C ATOM 487 O ILE A 49 90.997 -5.039 13.353 1.00 0.00 O ATOM 488 CB ILE A 49 88.905 -3.790 11.469 1.00 0.00 C ATOM 489 CG1 ILE A 49 88.303 -2.817 10.449 1.00 0.00 C ATOM 490 CG2 ILE A 49 87.891 -4.095 12.578 1.00 0.00 C ATOM 491 CD1 ILE A 49 87.170 -3.506 9.679 1.00 0.00 C ATOM 0 H ILE A 49 91.671 -4.193 10.997 1.00 0.00 H new ATOM 0 HA ILE A 49 89.996 -2.131 12.291 1.00 0.00 H new ATOM 0 HB ILE A 49 89.156 -4.723 10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 49 87.923 -1.931 10.958 1.00 0.00 H new ATOM 0 HG13 ILE A 49 89.074 -2.480 9.756 1.00 0.00 H new ATOM 0 HG21 ILE A 49 86.991 -4.526 12.140 1.00 0.00 H new ATOM 0 HG22 ILE A 49 88.326 -4.803 13.284 1.00 0.00 H new ATOM 0 HG23 ILE A 49 87.635 -3.173 13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 49 86.746 -2.810 8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 49 87.563 -4.378 9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 49 86.394 -3.821 10.377 1.00 0.00 H new ATOM 503 N GLN A 50 90.304 -3.212 14.481 1.00 0.00 N ATOM 504 CA GLN A 50 90.590 -3.776 15.793 1.00 0.00 C ATOM 505 C GLN A 50 89.371 -3.641 16.705 1.00 0.00 C ATOM 506 O GLN A 50 88.739 -2.586 16.767 1.00 0.00 O ATOM 507 CB GLN A 50 91.801 -3.067 16.413 1.00 0.00 C ATOM 508 CG GLN A 50 91.920 -3.441 17.894 1.00 0.00 C ATOM 509 CD GLN A 50 91.237 -2.388 18.761 1.00 0.00 C ATOM 510 OE1 GLN A 50 91.537 -2.275 19.949 1.00 0.00 O ATOM 511 NE2 GLN A 50 90.331 -1.608 18.236 1.00 0.00 N ATOM 0 H GLN A 50 89.922 -2.266 14.501 1.00 0.00 H new ATOM 0 HA GLN A 50 90.821 -4.835 15.680 1.00 0.00 H new ATOM 0 HB2 GLN A 50 92.710 -3.350 15.883 1.00 0.00 H new ATOM 0 HB3 GLN A 50 91.694 -1.987 16.309 1.00 0.00 H new ATOM 0 HG2 GLN A 50 91.465 -4.416 18.068 1.00 0.00 H new ATOM 0 HG3 GLN A 50 92.971 -3.525 18.172 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.084 -1.704 17.251 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.870 -0.903 18.811 1.00 0.00 H new ATOM 520 N GLN A 51 89.040 -4.723 17.402 1.00 0.00 N ATOM 521 CA GLN A 51 87.899 -4.734 18.305 1.00 0.00 C ATOM 522 C GLN A 51 88.318 -4.301 19.704 1.00 0.00 C ATOM 523 O GLN A 51 89.278 -4.830 20.265 1.00 0.00 O ATOM 524 CB GLN A 51 87.307 -6.141 18.369 1.00 0.00 C ATOM 525 CG GLN A 51 86.164 -6.175 19.389 1.00 0.00 C ATOM 526 CD GLN A 51 85.413 -7.498 19.289 1.00 0.00 C ATOM 527 OE1 GLN A 51 84.356 -7.568 18.664 1.00 0.00 O ATOM 528 NE2 GLN A 51 85.903 -8.559 19.871 1.00 0.00 N ATOM 0 H GLN A 51 89.549 -5.606 17.357 1.00 0.00 H new ATOM 0 HA GLN A 51 87.153 -4.035 17.927 1.00 0.00 H new ATOM 0 HB2 GLN A 51 86.939 -6.436 17.386 1.00 0.00 H new ATOM 0 HB3 GLN A 51 88.079 -6.858 18.649 1.00 0.00 H new ATOM 0 HG2 GLN A 51 86.561 -6.048 20.396 1.00 0.00 H new ATOM 0 HG3 GLN A 51 85.481 -5.345 19.209 1.00 0.00 H new ATOM 0 HE21 GLN A 51 86.780 -8.498 20.389 1.00 0.00 H new ATOM 0 HE22 GLN A 51 85.409 -9.449 19.808 1.00 0.00 H new ATOM 537 N THR A 52 87.588 -3.340 20.262 1.00 0.00 N ATOM 538 CA THR A 52 87.885 -2.845 21.602 1.00 0.00 C ATOM 539 C THR A 52 86.605 -2.740 22.420 1.00 0.00 C ATOM 540 O THR A 52 85.543 -2.393 21.897 1.00 0.00 O ATOM 541 CB THR A 52 88.531 -1.469 21.528 1.00 0.00 C ATOM 542 OG1 THR A 52 89.398 -1.413 20.411 1.00 0.00 O ATOM 543 CG2 THR A 52 89.337 -1.218 22.800 1.00 0.00 C ATOM 0 H THR A 52 86.791 -2.891 19.810 1.00 0.00 H new ATOM 0 HA THR A 52 88.571 -3.546 22.078 1.00 0.00 H new ATOM 0 HB THR A 52 87.755 -0.710 21.428 1.00 0.00 H new ATOM 0 HG1 THR A 52 90.273 -1.781 20.657 1.00 0.00 H new ATOM 0 HG21 THR A 52 89.800 -0.233 22.749 1.00 0.00 H new ATOM 0 HG22 THR A 52 88.675 -1.263 23.665 1.00 0.00 H new ATOM 0 HG23 THR A 52 90.112 -1.979 22.896 1.00 0.00 H new ATOM 551 N ASP A 53 86.711 -3.035 23.705 1.00 0.00 N ATOM 552 CA ASP A 53 85.554 -2.972 24.588 1.00 0.00 C ATOM 553 C ASP A 53 85.378 -1.574 25.166 1.00 0.00 C ATOM 554 O ASP A 53 84.286 -1.205 25.596 1.00 0.00 O ATOM 555 CB ASP A 53 85.707 -3.986 25.725 1.00 0.00 C ATOM 556 CG ASP A 53 85.596 -5.408 25.183 1.00 0.00 C ATOM 557 OD1 ASP A 53 85.125 -5.562 24.069 1.00 0.00 O ATOM 558 OD2 ASP A 53 85.986 -6.321 25.891 1.00 0.00 O ATOM 0 H ASP A 53 87.579 -3.319 24.159 1.00 0.00 H new ATOM 0 HA ASP A 53 84.668 -3.214 24.001 1.00 0.00 H new ATOM 0 HB2 ASP A 53 86.671 -3.850 26.215 1.00 0.00 H new ATOM 0 HB3 ASP A 53 84.939 -3.816 26.479 1.00 0.00 H new ATOM 563 N ASP A 54 86.457 -0.805 25.173 1.00 0.00 N ATOM 564 CA ASP A 54 86.412 0.550 25.699 1.00 0.00 C ATOM 565 C ASP A 54 86.401 1.559 24.558 1.00 0.00 C ATOM 566 O ASP A 54 86.468 2.768 24.785 1.00 0.00 O ATOM 567 CB ASP A 54 87.622 0.797 26.596 1.00 0.00 C ATOM 568 CG ASP A 54 87.602 -0.181 27.766 1.00 0.00 C ATOM 569 OD1 ASP A 54 86.519 -0.492 28.234 1.00 0.00 O ATOM 570 OD2 ASP A 54 88.669 -0.609 28.174 1.00 0.00 O ATOM 0 H ASP A 54 87.370 -1.095 24.822 1.00 0.00 H new ATOM 0 HA ASP A 54 85.500 0.670 26.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 88.542 0.676 26.024 1.00 0.00 H new ATOM 0 HB3 ASP A 54 87.609 1.822 26.966 1.00 0.00 H new ATOM 575 N SER A 55 86.322 1.057 23.328 1.00 0.00 N ATOM 576 CA SER A 55 86.309 1.939 22.165 1.00 0.00 C ATOM 577 C SER A 55 85.641 1.262 20.970 1.00 0.00 C ATOM 578 O SER A 55 85.761 1.729 19.837 1.00 0.00 O ATOM 579 CB SER A 55 87.739 2.352 21.800 1.00 0.00 C ATOM 580 OG SER A 55 88.462 2.639 22.991 1.00 0.00 O ATOM 0 H SER A 55 86.267 0.061 23.113 1.00 0.00 H new ATOM 0 HA SER A 55 85.732 2.828 22.421 1.00 0.00 H new ATOM 0 HB2 SER A 55 88.231 1.553 21.246 1.00 0.00 H new ATOM 0 HB3 SER A 55 87.723 3.227 21.150 1.00 0.00 H new ATOM 0 HG SER A 55 89.378 2.902 22.762 1.00 0.00 H new ATOM 586 N LEU A 56 84.934 0.163 21.228 1.00 0.00 N ATOM 587 CA LEU A 56 84.249 -0.561 20.173 1.00 0.00 C ATOM 588 C LEU A 56 85.229 -0.932 19.073 1.00 0.00 C ATOM 589 O LEU A 56 86.421 -1.103 19.326 1.00 0.00 O ATOM 590 CB LEU A 56 83.128 0.304 19.590 1.00 0.00 C ATOM 591 CG LEU A 56 82.365 0.992 20.724 1.00 0.00 C ATOM 592 CD1 LEU A 56 81.225 1.827 20.135 1.00 0.00 C ATOM 593 CD2 LEU A 56 81.791 -0.061 21.676 1.00 0.00 C ATOM 0 H LEU A 56 84.824 -0.240 22.158 1.00 0.00 H new ATOM 0 HA LEU A 56 83.821 -1.471 20.593 1.00 0.00 H new ATOM 0 HB2 LEU A 56 83.545 1.050 18.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 82.448 -0.313 19.003 1.00 0.00 H new ATOM 0 HG LEU A 56 83.045 1.640 21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.680 2.318 20.941 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.636 2.580 19.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 80.547 1.178 19.581 1.00 0.00 H new ATOM 0 HD21 LEU A 56 81.249 0.434 22.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 81.111 -0.714 21.129 1.00 0.00 H new ATOM 0 HD23 LEU A 56 82.604 -0.653 22.096 1.00 0.00 H new ATOM 605 N ILE A 57 84.723 -1.055 17.854 1.00 0.00 N ATOM 606 CA ILE A 57 85.573 -1.407 16.727 1.00 0.00 C ATOM 607 C ILE A 57 86.185 -0.157 16.108 1.00 0.00 C ATOM 608 O ILE A 57 85.475 0.776 15.741 1.00 0.00 O ATOM 609 CB ILE A 57 84.761 -2.172 15.677 1.00 0.00 C ATOM 610 CG1 ILE A 57 84.640 -3.634 16.107 1.00 0.00 C ATOM 611 CG2 ILE A 57 85.470 -2.098 14.327 1.00 0.00 C ATOM 612 CD1 ILE A 57 84.087 -3.708 17.529 1.00 0.00 C ATOM 0 H ILE A 57 83.739 -0.918 17.622 1.00 0.00 H new ATOM 0 HA ILE A 57 86.380 -2.045 17.086 1.00 0.00 H new ATOM 0 HB ILE A 57 83.769 -1.729 15.588 1.00 0.00 H new ATOM 0 HG12 ILE A 57 83.983 -4.171 15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 85.615 -4.119 16.060 1.00 0.00 H new ATOM 0 HG21 ILE A 57 84.891 -2.643 13.581 1.00 0.00 H new ATOM 0 HG22 ILE A 57 85.565 -1.056 14.022 1.00 0.00 H new ATOM 0 HG23 ILE A 57 86.462 -2.543 14.412 1.00 0.00 H new ATOM 0 HD11 ILE A 57 84.002 -4.751 17.832 1.00 0.00 H new ATOM 0 HD12 ILE A 57 84.760 -3.186 18.209 1.00 0.00 H new ATOM 0 HD13 ILE A 57 83.103 -3.239 17.562 1.00 0.00 H new ATOM 624 N HIS A 58 87.507 -0.149 15.987 1.00 0.00 N ATOM 625 CA HIS A 58 88.200 0.990 15.399 1.00 0.00 C ATOM 626 C HIS A 58 88.581 0.685 13.955 1.00 0.00 C ATOM 627 O HIS A 58 89.401 -0.195 13.690 1.00 0.00 O ATOM 628 CB HIS A 58 89.460 1.316 16.200 1.00 0.00 C ATOM 629 CG HIS A 58 89.810 2.767 16.024 1.00 0.00 C ATOM 630 ND1 HIS A 58 90.607 3.446 16.931 1.00 0.00 N ATOM 631 CD2 HIS A 58 89.486 3.681 15.051 1.00 0.00 C ATOM 632 CE1 HIS A 58 90.734 4.711 16.492 1.00 0.00 C ATOM 633 NE2 HIS A 58 90.072 4.908 15.349 1.00 0.00 N ATOM 0 H HIS A 58 88.116 -0.911 16.285 1.00 0.00 H new ATOM 0 HA HIS A 58 87.530 1.850 15.421 1.00 0.00 H new ATOM 0 HB2 HIS A 58 89.299 1.096 17.255 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.287 0.689 15.866 1.00 0.00 H new ATOM 0 HD2 HIS A 58 88.871 3.479 14.187 1.00 0.00 H new ATOM 0 HE1 HIS A 58 91.302 5.475 17.002 1.00 0.00 H new ATOM 0 HE2 HIS A 58 90.009 5.772 14.810 1.00 0.00 H new ATOM 641 N PHE A 59 87.983 1.424 13.031 1.00 0.00 N ATOM 642 CA PHE A 59 88.263 1.244 11.609 1.00 0.00 C ATOM 643 C PHE A 59 89.340 2.222 11.164 1.00 0.00 C ATOM 644 O PHE A 59 89.169 3.431 11.282 1.00 0.00 O ATOM 645 CB PHE A 59 86.991 1.483 10.787 1.00 0.00 C ATOM 646 CG PHE A 59 87.330 1.473 9.312 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.462 0.260 8.628 1.00 0.00 C ATOM 648 CD2 PHE A 59 87.522 2.682 8.633 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.786 0.255 7.265 1.00 0.00 C ATOM 650 CE2 PHE A 59 87.844 2.678 7.270 1.00 0.00 C ATOM 651 CZ PHE A 59 87.977 1.464 6.586 1.00 0.00 C ATOM 0 H PHE A 59 87.301 2.154 13.238 1.00 0.00 H new ATOM 0 HA PHE A 59 88.610 0.223 11.448 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.254 0.711 11.006 1.00 0.00 H new ATOM 0 HB3 PHE A 59 86.543 2.438 11.061 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.314 -0.673 9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 59 87.422 3.619 9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 59 87.888 -0.682 6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 59 87.990 3.611 6.747 1.00 0.00 H new ATOM 0 HZ PHE A 59 88.227 1.460 5.535 1.00 0.00 H new ATOM 661 N CYS A 60 90.446 1.688 10.652 1.00 0.00 N ATOM 662 CA CYS A 60 91.552 2.522 10.189 1.00 0.00 C ATOM 663 C CYS A 60 91.931 2.158 8.758 1.00 0.00 C ATOM 664 O CYS A 60 92.120 0.985 8.432 1.00 0.00 O ATOM 665 CB CYS A 60 92.759 2.355 11.110 1.00 0.00 C ATOM 666 SG CYS A 60 94.129 3.371 10.509 1.00 0.00 S ATOM 0 H CYS A 60 90.600 0.685 10.547 1.00 0.00 H new ATOM 0 HA CYS A 60 91.233 3.564 10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 60 92.496 2.647 12.127 1.00 0.00 H new ATOM 0 HB3 CYS A 60 93.059 1.308 11.146 1.00 0.00 H new ATOM 0 HG CYS A 60 94.863 3.748 11.514 1.00 0.00 H new ATOM 672 N TRP A 61 92.032 3.179 7.912 1.00 0.00 N ATOM 673 CA TRP A 61 92.379 2.975 6.508 1.00 0.00 C ATOM 674 C TRP A 61 93.650 3.735 6.163 1.00 0.00 C ATOM 675 O TRP A 61 93.669 4.967 6.146 1.00 0.00 O ATOM 676 CB TRP A 61 91.239 3.449 5.610 1.00 0.00 C ATOM 677 CG TRP A 61 91.573 3.126 4.193 1.00 0.00 C ATOM 678 CD1 TRP A 61 91.718 1.874 3.703 1.00 0.00 C ATOM 679 CD2 TRP A 61 91.802 4.033 3.077 1.00 0.00 C ATOM 680 NE1 TRP A 61 92.030 1.953 2.360 1.00 0.00 N ATOM 681 CE2 TRP A 61 92.090 3.263 1.925 1.00 0.00 C ATOM 682 CE3 TRP A 61 91.790 5.433 2.953 1.00 0.00 C ATOM 683 CZ2 TRP A 61 92.357 3.862 0.693 1.00 0.00 C ATOM 684 CZ3 TRP A 61 92.057 6.039 1.714 1.00 0.00 C ATOM 685 CH2 TRP A 61 92.339 5.255 0.587 1.00 0.00 C ATOM 0 H TRP A 61 91.879 4.153 8.172 1.00 0.00 H new ATOM 0 HA TRP A 61 92.545 1.910 6.344 1.00 0.00 H new ATOM 0 HB2 TRP A 61 90.306 2.964 5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.089 4.522 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 61 91.608 0.961 4.270 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.196 1.143 1.762 1.00 0.00 H new ATOM 0 HE3 TRP A 61 91.574 6.046 3.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.576 3.253 -0.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 92.045 7.116 1.629 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.542 5.727 -0.363 1.00 0.00 H new ATOM 696 N LYS A 62 94.708 2.986 5.899 1.00 0.00 N ATOM 697 CA LYS A 62 95.996 3.578 5.565 1.00 0.00 C ATOM 698 C LYS A 62 96.333 3.336 4.103 1.00 0.00 C ATOM 699 O LYS A 62 95.845 2.396 3.490 1.00 0.00 O ATOM 700 CB LYS A 62 97.104 2.967 6.433 1.00 0.00 C ATOM 701 CG LYS A 62 96.530 2.494 7.778 1.00 0.00 C ATOM 702 CD LYS A 62 97.625 1.793 8.586 1.00 0.00 C ATOM 703 CE LYS A 62 98.212 2.755 9.617 1.00 0.00 C ATOM 704 NZ LYS A 62 97.280 2.867 10.776 1.00 0.00 N ATOM 0 H LYS A 62 94.702 1.966 5.909 1.00 0.00 H new ATOM 0 HA LYS A 62 95.930 4.650 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 62 97.563 2.128 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 62 97.889 3.704 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 62 96.139 3.344 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 95.696 1.813 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.214 0.917 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 62 98.411 1.439 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.185 2.397 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.370 3.735 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 97.589 3.642 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 96.319 3.062 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 97.281 1.975 11.310 1.00 0.00 H new ATOM 718 N ASP A 63 97.180 4.187 3.557 1.00 0.00 N ATOM 719 CA ASP A 63 97.588 4.053 2.171 1.00 0.00 C ATOM 720 C ASP A 63 98.919 3.326 2.071 1.00 0.00 C ATOM 721 O ASP A 63 99.895 3.732 2.675 1.00 0.00 O ATOM 722 CB ASP A 63 97.699 5.432 1.518 1.00 0.00 C ATOM 723 CG ASP A 63 98.593 6.335 2.358 1.00 0.00 C ATOM 724 OD1 ASP A 63 99.117 5.860 3.352 1.00 0.00 O ATOM 725 OD2 ASP A 63 98.739 7.492 1.997 1.00 0.00 O ATOM 0 H ASP A 63 97.598 4.976 4.050 1.00 0.00 H new ATOM 0 HA ASP A 63 96.832 3.469 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 63 98.108 5.335 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.709 5.877 1.418 1.00 0.00 H new ATOM 730 N ARG A 64 98.948 2.254 1.297 1.00 0.00 N ATOM 731 CA ARG A 64 100.173 1.483 1.106 1.00 0.00 C ATOM 732 C ARG A 64 101.220 2.295 0.351 1.00 0.00 C ATOM 733 O ARG A 64 102.421 2.089 0.525 1.00 0.00 O ATOM 734 CB ARG A 64 99.886 0.187 0.339 1.00 0.00 C ATOM 735 CG ARG A 64 99.484 -0.914 1.321 1.00 0.00 C ATOM 736 CD ARG A 64 99.084 -2.166 0.539 1.00 0.00 C ATOM 737 NE ARG A 64 100.081 -2.459 -0.488 1.00 0.00 N ATOM 738 CZ ARG A 64 101.223 -3.074 -0.195 1.00 0.00 C ATOM 739 NH1 ARG A 64 102.090 -3.318 -1.140 1.00 0.00 N ATOM 740 NH2 ARG A 64 101.479 -3.432 1.034 1.00 0.00 N ATOM 0 H ARG A 64 98.139 1.895 0.789 1.00 0.00 H new ATOM 0 HA ARG A 64 100.561 1.237 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 64 99.088 0.351 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 64 100.769 -0.118 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 64 100.313 -1.139 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 64 98.654 -0.578 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 64 98.991 -3.014 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 64 98.108 -2.019 0.077 1.00 0.00 H new ATOM 0 HE ARG A 64 99.897 -2.185 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 64 101.891 -3.037 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 64 102.967 -3.790 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 64 100.802 -3.240 1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 64 102.356 -3.904 1.256 1.00 0.00 H new ATOM 754 N THR A 65 100.759 3.210 -0.496 1.00 0.00 N ATOM 755 CA THR A 65 101.671 4.037 -1.278 1.00 0.00 C ATOM 756 C THR A 65 102.453 4.992 -0.379 1.00 0.00 C ATOM 757 O THR A 65 103.584 5.366 -0.696 1.00 0.00 O ATOM 758 CB THR A 65 100.880 4.835 -2.321 1.00 0.00 C ATOM 759 OG1 THR A 65 101.720 5.120 -3.431 1.00 0.00 O ATOM 760 CG2 THR A 65 100.384 6.147 -1.709 1.00 0.00 C ATOM 0 H THR A 65 99.769 3.397 -0.658 1.00 0.00 H new ATOM 0 HA THR A 65 102.383 3.382 -1.781 1.00 0.00 H new ATOM 0 HB THR A 65 100.023 4.247 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 65 101.216 5.629 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 65 99.823 6.708 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 65 99.738 5.930 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 65 101.237 6.739 -1.376 1.00 0.00 H new ATOM 768 N SER A 66 101.844 5.391 0.737 1.00 0.00 N ATOM 769 CA SER A 66 102.493 6.314 1.667 1.00 0.00 C ATOM 770 C SER A 66 102.732 5.644 3.013 1.00 0.00 C ATOM 771 O SER A 66 103.577 6.078 3.796 1.00 0.00 O ATOM 772 CB SER A 66 101.619 7.555 1.860 1.00 0.00 C ATOM 773 OG SER A 66 100.859 7.419 3.053 1.00 0.00 O ATOM 0 H SER A 66 100.910 5.093 1.018 1.00 0.00 H new ATOM 0 HA SER A 66 103.456 6.606 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 66 102.243 8.447 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 100.954 7.681 1.005 1.00 0.00 H new ATOM 0 HG SER A 66 100.036 7.946 2.978 1.00 0.00 H new ATOM 779 N GLY A 67 101.981 4.586 3.276 1.00 0.00 N ATOM 780 CA GLY A 67 102.114 3.862 4.531 1.00 0.00 C ATOM 781 C GLY A 67 101.614 4.713 5.690 1.00 0.00 C ATOM 782 O GLY A 67 101.942 4.455 6.849 1.00 0.00 O ATOM 0 H GLY A 67 101.276 4.211 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 67 101.548 2.932 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 67 103.157 3.592 4.694 1.00 0.00 H new ATOM 786 N ASN A 68 100.825 5.737 5.364 1.00 0.00 N ATOM 787 CA ASN A 68 100.290 6.640 6.388 1.00 0.00 C ATOM 788 C ASN A 68 98.772 6.531 6.484 1.00 0.00 C ATOM 789 O ASN A 68 98.103 6.166 5.517 1.00 0.00 O ATOM 790 CB ASN A 68 100.679 8.086 6.072 1.00 0.00 C ATOM 791 CG ASN A 68 100.424 8.974 7.287 1.00 0.00 C ATOM 792 OD1 ASN A 68 100.561 8.525 8.426 1.00 0.00 O ATOM 793 ND2 ASN A 68 100.060 10.216 7.113 1.00 0.00 N ATOM 0 H ASN A 68 100.543 5.962 4.410 1.00 0.00 H new ATOM 0 HA ASN A 68 100.719 6.347 7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.731 8.135 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 68 100.104 8.448 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.889 10.815 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.947 10.587 6.170 1.00 0.00 H new ATOM 800 N VAL A 69 98.234 6.851 7.659 1.00 0.00 N ATOM 801 CA VAL A 69 96.797 6.787 7.868 1.00 0.00 C ATOM 802 C VAL A 69 96.087 7.814 6.993 1.00 0.00 C ATOM 803 O VAL A 69 96.500 8.972 6.919 1.00 0.00 O ATOM 804 CB VAL A 69 96.462 7.049 9.335 1.00 0.00 C ATOM 805 CG1 VAL A 69 97.104 5.978 10.210 1.00 0.00 C ATOM 806 CG2 VAL A 69 96.982 8.430 9.744 1.00 0.00 C ATOM 0 H VAL A 69 98.770 7.154 8.472 1.00 0.00 H new ATOM 0 HA VAL A 69 96.456 5.788 7.595 1.00 0.00 H new ATOM 0 HB VAL A 69 95.380 7.018 9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 69 96.862 6.169 11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 96.724 4.998 9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 69 98.186 6.000 10.078 1.00 0.00 H new ATOM 0 HG21 VAL A 69 96.741 8.614 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 69 98.063 8.467 9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 69 96.512 9.194 9.124 1.00 0.00 H new ATOM 816 N GLU A 70 95.016 7.383 6.336 1.00 0.00 N ATOM 817 CA GLU A 70 94.251 8.275 5.470 1.00 0.00 C ATOM 818 C GLU A 70 92.945 8.681 6.142 1.00 0.00 C ATOM 819 O GLU A 70 92.490 9.817 6.003 1.00 0.00 O ATOM 820 CB GLU A 70 93.948 7.579 4.140 1.00 0.00 C ATOM 821 CG GLU A 70 95.056 7.895 3.132 1.00 0.00 C ATOM 822 CD GLU A 70 94.889 9.314 2.601 1.00 0.00 C ATOM 823 OE1 GLU A 70 95.456 10.218 3.193 1.00 0.00 O ATOM 824 OE2 GLU A 70 94.200 9.476 1.608 1.00 0.00 O ATOM 0 H GLU A 70 94.659 6.429 6.385 1.00 0.00 H new ATOM 0 HA GLU A 70 94.845 9.170 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 70 93.875 6.502 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 70 92.985 7.913 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 70 96.032 7.788 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 70 95.023 7.183 2.307 1.00 0.00 H new ATOM 831 N ASP A 71 92.345 7.745 6.873 1.00 0.00 N ATOM 832 CA ASP A 71 91.091 8.020 7.565 1.00 0.00 C ATOM 833 C ASP A 71 90.785 6.927 8.589 1.00 0.00 C ATOM 834 O ASP A 71 90.867 5.739 8.282 1.00 0.00 O ATOM 835 CB ASP A 71 89.947 8.113 6.551 1.00 0.00 C ATOM 836 CG ASP A 71 88.681 8.618 7.236 1.00 0.00 C ATOM 837 OD1 ASP A 71 88.652 8.619 8.456 1.00 0.00 O ATOM 838 OD2 ASP A 71 87.760 8.997 6.530 1.00 0.00 O ATOM 0 H ASP A 71 92.703 6.799 7.000 1.00 0.00 H new ATOM 0 HA ASP A 71 91.189 8.970 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 90.224 8.786 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 71 89.764 7.135 6.106 1.00 0.00 H new ATOM 843 N ASP A 72 90.432 7.336 9.805 1.00 0.00 N ATOM 844 CA ASP A 72 90.113 6.378 10.862 1.00 0.00 C ATOM 845 C ASP A 72 88.865 6.817 11.627 1.00 0.00 C ATOM 846 O ASP A 72 88.756 7.970 12.044 1.00 0.00 O ATOM 847 CB ASP A 72 91.305 6.243 11.811 1.00 0.00 C ATOM 848 CG ASP A 72 91.636 7.597 12.431 1.00 0.00 C ATOM 849 OD1 ASP A 72 91.040 8.578 12.016 1.00 0.00 O ATOM 850 OD2 ASP A 72 92.478 7.632 13.312 1.00 0.00 O ATOM 0 H ASP A 72 90.360 8.315 10.082 1.00 0.00 H new ATOM 0 HA ASP A 72 89.908 5.408 10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 72 91.076 5.521 12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 72 92.170 5.861 11.269 1.00 0.00 H new ATOM 855 N LEU A 73 87.920 5.890 11.799 1.00 0.00 N ATOM 856 CA LEU A 73 86.677 6.182 12.499 1.00 0.00 C ATOM 857 C LEU A 73 86.235 4.983 13.321 1.00 0.00 C ATOM 858 O LEU A 73 86.472 3.834 12.953 1.00 0.00 O ATOM 859 CB LEU A 73 85.575 6.552 11.498 1.00 0.00 C ATOM 860 CG LEU A 73 85.836 7.956 10.946 1.00 0.00 C ATOM 861 CD1 LEU A 73 84.915 8.230 9.758 1.00 0.00 C ATOM 862 CD2 LEU A 73 85.595 9.018 12.031 1.00 0.00 C ATOM 0 H LEU A 73 87.997 4.931 11.461 1.00 0.00 H new ATOM 0 HA LEU A 73 86.852 7.026 13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 73 85.551 5.828 10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 73 84.600 6.517 11.985 1.00 0.00 H new ATOM 0 HG LEU A 73 86.876 8.008 10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 73 85.107 9.231 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 73 85.104 7.496 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 73 83.876 8.159 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 85.786 10.009 11.619 1.00 0.00 H new ATOM 0 HD22 LEU A 73 84.562 8.960 12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 73 86.266 8.839 12.871 1.00 0.00 H new ATOM 874 N ILE A 74 85.582 5.266 14.429 1.00 0.00 N ATOM 875 CA ILE A 74 85.091 4.214 15.301 1.00 0.00 C ATOM 876 C ILE A 74 83.742 3.716 14.819 1.00 0.00 C ATOM 877 O ILE A 74 82.884 4.506 14.424 1.00 0.00 O ATOM 878 CB ILE A 74 84.960 4.734 16.714 1.00 0.00 C ATOM 879 CG1 ILE A 74 86.348 5.013 17.289 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.230 3.692 17.567 1.00 0.00 C ATOM 881 CD1 ILE A 74 86.201 5.775 18.605 1.00 0.00 C ATOM 0 H ILE A 74 85.378 6.213 14.748 1.00 0.00 H new ATOM 0 HA ILE A 74 85.803 3.388 15.283 1.00 0.00 H new ATOM 0 HB ILE A 74 84.388 5.662 16.716 1.00 0.00 H new ATOM 0 HG12 ILE A 74 86.881 4.077 17.454 1.00 0.00 H new ATOM 0 HG13 ILE A 74 86.938 5.595 16.581 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.132 4.061 18.588 1.00 0.00 H new ATOM 0 HG22 ILE A 74 83.239 3.510 17.150 1.00 0.00 H new ATOM 0 HG23 ILE A 74 84.798 2.762 17.570 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.188 5.977 19.021 1.00 0.00 H new ATOM 0 HD12 ILE A 74 85.684 6.717 18.424 1.00 0.00 H new ATOM 0 HD13 ILE A 74 85.626 5.175 19.311 1.00 0.00 H new ATOM 893 N ILE A 75 83.569 2.401 14.833 1.00 0.00 N ATOM 894 CA ILE A 75 82.327 1.803 14.375 1.00 0.00 C ATOM 895 C ILE A 75 81.595 1.141 15.540 1.00 0.00 C ATOM 896 O ILE A 75 82.146 0.277 16.239 1.00 0.00 O ATOM 897 CB ILE A 75 82.613 0.745 13.297 1.00 0.00 C ATOM 898 CG1 ILE A 75 83.594 1.284 12.242 1.00 0.00 C ATOM 899 CG2 ILE A 75 81.306 0.358 12.599 1.00 0.00 C ATOM 900 CD1 ILE A 75 82.857 2.145 11.214 1.00 0.00 C ATOM 0 H ILE A 75 84.270 1.733 15.155 1.00 0.00 H new ATOM 0 HA ILE A 75 81.703 2.592 13.956 1.00 0.00 H new ATOM 0 HB ILE A 75 83.057 -0.123 13.784 1.00 0.00 H new ATOM 0 HG12 ILE A 75 84.372 1.873 12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 75 84.090 0.453 11.740 1.00 0.00 H new ATOM 0 HG21 ILE A 75 81.510 -0.392 11.835 1.00 0.00 H new ATOM 0 HG22 ILE A 75 80.609 -0.050 13.331 1.00 0.00 H new ATOM 0 HG23 ILE A 75 80.867 1.240 12.133 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.567 2.518 10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 82.096 1.545 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 75 82.382 2.987 11.718 1.00 0.00 H new ATOM 912 N PHE A 76 80.355 1.560 15.740 1.00 0.00 N ATOM 913 CA PHE A 76 79.532 1.019 16.814 1.00 0.00 C ATOM 914 C PHE A 76 79.024 -0.379 16.445 1.00 0.00 C ATOM 915 O PHE A 76 78.803 -0.667 15.267 1.00 0.00 O ATOM 916 CB PHE A 76 78.341 1.948 17.066 1.00 0.00 C ATOM 917 CG PHE A 76 78.850 3.280 17.548 1.00 0.00 C ATOM 918 CD1 PHE A 76 79.276 4.230 16.618 1.00 0.00 C ATOM 919 CD2 PHE A 76 78.903 3.564 18.918 1.00 0.00 C ATOM 920 CE1 PHE A 76 79.754 5.468 17.052 1.00 0.00 C ATOM 921 CE2 PHE A 76 79.383 4.805 19.355 1.00 0.00 C ATOM 922 CZ PHE A 76 79.808 5.758 18.420 1.00 0.00 C ATOM 0 H PHE A 76 79.895 2.273 15.174 1.00 0.00 H new ATOM 0 HA PHE A 76 80.137 0.946 17.718 1.00 0.00 H new ATOM 0 HB2 PHE A 76 77.763 2.075 16.151 1.00 0.00 H new ATOM 0 HB3 PHE A 76 77.673 1.510 17.807 1.00 0.00 H new ATOM 0 HD1 PHE A 76 79.236 4.007 15.562 1.00 0.00 H new ATOM 0 HD2 PHE A 76 78.574 2.828 19.636 1.00 0.00 H new ATOM 0 HE1 PHE A 76 80.082 6.202 16.331 1.00 0.00 H new ATOM 0 HE2 PHE A 76 79.425 5.027 20.411 1.00 0.00 H new ATOM 0 HZ PHE A 76 80.177 6.716 18.755 1.00 0.00 H new ATOM 932 N PRO A 77 78.827 -1.244 17.417 1.00 0.00 N ATOM 933 CA PRO A 77 78.324 -2.634 17.171 1.00 0.00 C ATOM 934 C PRO A 77 76.878 -2.644 16.668 1.00 0.00 C ATOM 935 O PRO A 77 75.978 -3.148 17.338 1.00 0.00 O ATOM 936 CB PRO A 77 78.444 -3.310 18.547 1.00 0.00 C ATOM 937 CG PRO A 77 78.409 -2.195 19.536 1.00 0.00 C ATOM 938 CD PRO A 77 79.072 -1.006 18.852 1.00 0.00 C ATOM 0 HA PRO A 77 78.889 -3.147 16.393 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.626 -4.010 18.714 1.00 0.00 H new ATOM 0 HB3 PRO A 77 79.371 -3.878 18.627 1.00 0.00 H new ATOM 0 HG2 PRO A 77 77.384 -1.959 19.822 1.00 0.00 H new ATOM 0 HG3 PRO A 77 78.940 -2.466 20.449 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.637 -0.062 19.181 1.00 0.00 H new ATOM 0 HD3 PRO A 77 80.138 -0.960 19.074 1.00 0.00 H new ATOM 946 N ASP A 78 76.668 -2.086 15.478 1.00 0.00 N ATOM 947 CA ASP A 78 75.332 -2.036 14.886 1.00 0.00 C ATOM 948 C ASP A 78 75.279 -1.018 13.749 1.00 0.00 C ATOM 949 O ASP A 78 74.391 -1.070 12.898 1.00 0.00 O ATOM 950 CB ASP A 78 74.300 -1.666 15.953 1.00 0.00 C ATOM 951 CG ASP A 78 73.143 -0.901 15.320 1.00 0.00 C ATOM 952 OD1 ASP A 78 72.391 -1.512 14.578 1.00 0.00 O ATOM 953 OD2 ASP A 78 73.025 0.284 15.587 1.00 0.00 O ATOM 0 H ASP A 78 77.400 -1.664 14.907 1.00 0.00 H new ATOM 0 HA ASP A 78 75.101 -3.022 14.483 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.927 -2.568 16.438 1.00 0.00 H new ATOM 0 HB3 ASP A 78 74.768 -1.058 16.727 1.00 0.00 H new ATOM 958 N ASP A 79 76.233 -0.094 13.742 1.00 0.00 N ATOM 959 CA ASP A 79 76.287 0.931 12.710 1.00 0.00 C ATOM 960 C ASP A 79 77.250 0.526 11.600 1.00 0.00 C ATOM 961 O ASP A 79 78.462 0.698 11.727 1.00 0.00 O ATOM 962 CB ASP A 79 76.746 2.256 13.317 1.00 0.00 C ATOM 963 CG ASP A 79 76.761 3.340 12.246 1.00 0.00 C ATOM 964 OD1 ASP A 79 76.524 3.012 11.095 1.00 0.00 O ATOM 965 OD2 ASP A 79 77.008 4.484 12.591 1.00 0.00 O ATOM 0 H ASP A 79 76.977 -0.035 14.438 1.00 0.00 H new ATOM 0 HA ASP A 79 75.288 1.046 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 79 76.079 2.544 14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 79 77.741 2.144 13.747 1.00 0.00 H new ATOM 970 N CYS A 80 76.700 -0.003 10.515 1.00 0.00 N ATOM 971 CA CYS A 80 77.513 -0.426 9.379 1.00 0.00 C ATOM 972 C CYS A 80 76.696 -1.300 8.436 1.00 0.00 C ATOM 973 O CYS A 80 76.527 -2.495 8.677 1.00 0.00 O ATOM 974 CB CYS A 80 78.740 -1.201 9.865 1.00 0.00 C ATOM 975 SG CYS A 80 79.248 -2.386 8.595 1.00 0.00 S ATOM 0 H CYS A 80 75.698 -0.150 10.396 1.00 0.00 H new ATOM 0 HA CYS A 80 77.841 0.464 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 80 79.556 -0.512 10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 80 78.509 -1.723 10.793 1.00 0.00 H new ATOM 0 HG CYS A 80 78.229 -3.115 8.249 1.00 0.00 H new ATOM 981 N GLU A 81 76.195 -0.699 7.360 1.00 0.00 N ATOM 982 CA GLU A 81 75.398 -1.438 6.386 1.00 0.00 C ATOM 983 C GLU A 81 76.191 -1.642 5.100 1.00 0.00 C ATOM 984 O GLU A 81 76.734 -0.690 4.540 1.00 0.00 O ATOM 985 CB GLU A 81 74.107 -0.675 6.079 1.00 0.00 C ATOM 986 CG GLU A 81 73.237 -1.497 5.125 1.00 0.00 C ATOM 987 CD GLU A 81 71.910 -0.784 4.883 1.00 0.00 C ATOM 988 OE1 GLU A 81 71.716 0.274 5.458 1.00 0.00 O ATOM 989 OE2 GLU A 81 71.109 -1.308 4.126 1.00 0.00 O ATOM 0 H GLU A 81 76.325 0.289 7.142 1.00 0.00 H new ATOM 0 HA GLU A 81 75.149 -2.412 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.563 -0.475 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.342 0.291 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.758 -1.643 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 81 73.056 -2.486 5.546 1.00 0.00 H new ATOM 996 N PHE A 82 76.254 -2.889 4.638 1.00 0.00 N ATOM 997 CA PHE A 82 76.986 -3.201 3.415 1.00 0.00 C ATOM 998 C PHE A 82 76.011 -3.560 2.301 1.00 0.00 C ATOM 999 O PHE A 82 75.040 -4.285 2.527 1.00 0.00 O ATOM 1000 CB PHE A 82 77.935 -4.377 3.658 1.00 0.00 C ATOM 1001 CG PHE A 82 77.146 -5.661 3.732 1.00 0.00 C ATOM 1002 CD1 PHE A 82 76.950 -6.427 2.577 1.00 0.00 C ATOM 1003 CD2 PHE A 82 76.614 -6.090 4.954 1.00 0.00 C ATOM 1004 CE1 PHE A 82 76.222 -7.620 2.641 1.00 0.00 C ATOM 1005 CE2 PHE A 82 75.885 -7.283 5.019 1.00 0.00 C ATOM 1006 CZ PHE A 82 75.689 -8.049 3.863 1.00 0.00 C ATOM 0 H PHE A 82 75.812 -3.691 5.087 1.00 0.00 H new ATOM 0 HA PHE A 82 77.564 -2.325 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 82 78.669 -4.436 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 82 78.488 -4.225 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 82 77.361 -6.097 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 82 76.766 -5.501 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 82 76.071 -8.210 1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 82 75.473 -7.613 5.961 1.00 0.00 H new ATOM 0 HZ PHE A 82 75.127 -8.970 3.914 1.00 0.00 H new ATOM 1016 N LYS A 83 76.277 -3.048 1.103 1.00 0.00 N ATOM 1017 CA LYS A 83 75.419 -3.317 -0.043 1.00 0.00 C ATOM 1018 C LYS A 83 76.226 -3.912 -1.186 1.00 0.00 C ATOM 1019 O LYS A 83 77.401 -3.593 -1.362 1.00 0.00 O ATOM 1020 CB LYS A 83 74.733 -2.031 -0.514 1.00 0.00 C ATOM 1021 CG LYS A 83 73.918 -1.435 0.634 1.00 0.00 C ATOM 1022 CD LYS A 83 72.849 -0.491 0.074 1.00 0.00 C ATOM 1023 CE LYS A 83 72.001 0.059 1.223 1.00 0.00 C ATOM 1024 NZ LYS A 83 70.867 0.851 0.666 1.00 0.00 N ATOM 0 H LYS A 83 77.077 -2.447 0.902 1.00 0.00 H new ATOM 0 HA LYS A 83 74.658 -4.034 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.479 -1.313 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.083 -2.243 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 83 73.447 -2.232 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 83 74.574 -0.893 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.320 0.328 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.216 -1.022 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.622 -0.760 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.612 0.685 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.289 1.226 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.240 1.640 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.280 0.240 0.063 1.00 0.00 H new ATOM 1038 N ARG A 84 75.581 -4.783 -1.954 1.00 0.00 N ATOM 1039 CA ARG A 84 76.234 -5.433 -3.081 1.00 0.00 C ATOM 1040 C ARG A 84 75.533 -5.064 -4.382 1.00 0.00 C ATOM 1041 O ARG A 84 74.305 -5.123 -4.473 1.00 0.00 O ATOM 1042 CB ARG A 84 76.200 -6.955 -2.901 1.00 0.00 C ATOM 1043 CG ARG A 84 77.022 -7.627 -4.008 1.00 0.00 C ATOM 1044 CD ARG A 84 76.891 -9.149 -3.896 1.00 0.00 C ATOM 1045 NE ARG A 84 75.540 -9.567 -4.252 1.00 0.00 N ATOM 1046 CZ ARG A 84 75.144 -10.825 -4.086 1.00 0.00 C ATOM 1047 NH1 ARG A 84 73.933 -11.178 -4.421 1.00 0.00 N ATOM 1048 NH2 ARG A 84 75.967 -11.708 -3.590 1.00 0.00 N ATOM 0 H ARG A 84 74.607 -5.054 -1.816 1.00 0.00 H new ATOM 0 HA ARG A 84 77.269 -5.095 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 84 76.601 -7.224 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 84 75.170 -7.311 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 84 76.675 -7.293 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 84 78.069 -7.335 -3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 84 77.614 -9.633 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 84 77.122 -9.467 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 84 74.888 -8.882 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 84 73.290 -10.488 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 84 73.630 -12.143 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 84 76.914 -11.433 -3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 84 75.663 -12.673 -3.463 1.00 0.00 H new ATOM 1062 N VAL A 85 76.323 -4.703 -5.388 1.00 0.00 N ATOM 1063 CA VAL A 85 75.777 -4.350 -6.692 1.00 0.00 C ATOM 1064 C VAL A 85 76.239 -5.362 -7.740 1.00 0.00 C ATOM 1065 O VAL A 85 77.278 -5.171 -8.377 1.00 0.00 O ATOM 1066 CB VAL A 85 76.237 -2.945 -7.087 1.00 0.00 C ATOM 1067 CG1 VAL A 85 75.498 -1.913 -6.239 1.00 0.00 C ATOM 1068 CG2 VAL A 85 77.741 -2.806 -6.835 1.00 0.00 C ATOM 0 H VAL A 85 77.340 -4.648 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 85 74.688 -4.365 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 85 76.024 -2.782 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 85 75.824 -0.911 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 85 74.425 -2.005 -6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 85 75.716 -2.085 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 85 78.066 -1.805 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 85 77.950 -2.971 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 85 78.279 -3.543 -7.430 1.00 0.00 H new ATOM 1078 N PRO A 86 75.495 -6.428 -7.939 1.00 0.00 N ATOM 1079 CA PRO A 86 75.842 -7.475 -8.939 1.00 0.00 C ATOM 1080 C PRO A 86 75.378 -7.109 -10.347 1.00 0.00 C ATOM 1081 O PRO A 86 74.314 -7.540 -10.792 1.00 0.00 O ATOM 1082 CB PRO A 86 75.106 -8.712 -8.422 1.00 0.00 C ATOM 1083 CG PRO A 86 73.923 -8.193 -7.667 1.00 0.00 C ATOM 1084 CD PRO A 86 74.252 -6.764 -7.221 1.00 0.00 C ATOM 0 HA PRO A 86 76.919 -7.617 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 86 74.794 -9.355 -9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 86 75.750 -9.310 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 86 73.033 -8.203 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 86 73.711 -8.825 -6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 86 73.448 -6.074 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 86 74.390 -6.707 -6.141 1.00 0.00 H new ATOM 1092 N GLN A 87 76.185 -6.316 -11.043 1.00 0.00 N ATOM 1093 CA GLN A 87 75.848 -5.905 -12.400 1.00 0.00 C ATOM 1094 C GLN A 87 76.649 -6.709 -13.414 1.00 0.00 C ATOM 1095 O GLN A 87 76.371 -6.670 -14.613 1.00 0.00 O ATOM 1096 CB GLN A 87 76.153 -4.421 -12.576 1.00 0.00 C ATOM 1097 CG GLN A 87 75.360 -3.617 -11.547 1.00 0.00 C ATOM 1098 CD GLN A 87 75.761 -2.150 -11.614 1.00 0.00 C ATOM 1099 OE1 GLN A 87 76.752 -1.795 -12.382 1.00 0.00 O flip ATOM 1100 NE2 GLN A 87 75.162 -1.309 -10.945 1.00 0.00 N flip ATOM 0 H GLN A 87 77.070 -5.948 -10.694 1.00 0.00 H new ATOM 0 HA GLN A 87 74.786 -6.085 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 87 77.221 -4.240 -12.451 1.00 0.00 H new ATOM 0 HB3 GLN A 87 75.891 -4.101 -13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 87 74.292 -3.720 -11.737 1.00 0.00 H new ATOM 0 HG3 GLN A 87 75.545 -4.008 -10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 87 74.387 -1.592 -10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 87 75.440 -0.329 -10.990 1.00 0.00 H new ATOM 1109 N CYS A 88 77.650 -7.434 -12.926 1.00 0.00 N ATOM 1110 CA CYS A 88 78.489 -8.238 -13.803 1.00 0.00 C ATOM 1111 C CYS A 88 78.835 -9.584 -13.156 1.00 0.00 C ATOM 1112 O CYS A 88 78.919 -9.685 -11.932 1.00 0.00 O ATOM 1113 CB CYS A 88 79.775 -7.471 -14.125 1.00 0.00 C ATOM 1114 SG CYS A 88 80.465 -6.778 -12.602 1.00 0.00 S ATOM 0 H CYS A 88 77.898 -7.481 -11.938 1.00 0.00 H new ATOM 0 HA CYS A 88 77.937 -8.436 -14.722 1.00 0.00 H new ATOM 0 HB2 CYS A 88 80.499 -8.136 -14.595 1.00 0.00 H new ATOM 0 HB3 CYS A 88 79.566 -6.673 -14.838 1.00 0.00 H new ATOM 0 HG CYS A 88 81.655 -7.262 -12.405 1.00 0.00 H new ATOM 1120 N PRO A 89 79.045 -10.611 -13.950 1.00 0.00 N ATOM 1121 CA PRO A 89 79.399 -11.970 -13.432 1.00 0.00 C ATOM 1122 C PRO A 89 80.765 -11.991 -12.750 1.00 0.00 C ATOM 1123 O PRO A 89 81.058 -12.883 -11.953 1.00 0.00 O ATOM 1124 CB PRO A 89 79.398 -12.854 -14.684 1.00 0.00 C ATOM 1125 CG PRO A 89 79.617 -11.921 -15.825 1.00 0.00 C ATOM 1126 CD PRO A 89 78.961 -10.603 -15.423 1.00 0.00 C ATOM 0 HA PRO A 89 78.698 -12.308 -12.669 1.00 0.00 H new ATOM 0 HB2 PRO A 89 80.185 -13.606 -14.635 1.00 0.00 H new ATOM 0 HB3 PRO A 89 78.453 -13.387 -14.788 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.681 -11.784 -16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 89 79.175 -12.314 -16.741 1.00 0.00 H new ATOM 0 HD2 PRO A 89 79.484 -9.748 -15.850 1.00 0.00 H new ATOM 0 HD3 PRO A 89 77.928 -10.548 -15.766 1.00 0.00 H new ATOM 1134 N SER A 90 81.599 -11.008 -13.071 1.00 0.00 N ATOM 1135 CA SER A 90 82.934 -10.929 -12.487 1.00 0.00 C ATOM 1136 C SER A 90 83.270 -9.489 -12.111 1.00 0.00 C ATOM 1137 O SER A 90 82.848 -8.548 -12.784 1.00 0.00 O ATOM 1138 CB SER A 90 83.969 -11.452 -13.484 1.00 0.00 C ATOM 1139 OG SER A 90 85.264 -11.369 -12.902 1.00 0.00 O ATOM 0 H SER A 90 81.377 -10.260 -13.727 1.00 0.00 H new ATOM 0 HA SER A 90 82.954 -11.542 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 90 83.744 -12.484 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 90 83.933 -10.868 -14.404 1.00 0.00 H new ATOM 0 HG SER A 90 85.930 -11.705 -13.537 1.00 0.00 H new ATOM 1145 N GLY A 91 84.029 -9.324 -11.032 1.00 0.00 N ATOM 1146 CA GLY A 91 84.409 -7.992 -10.580 1.00 0.00 C ATOM 1147 C GLY A 91 83.420 -7.462 -9.547 1.00 0.00 C ATOM 1148 O GLY A 91 83.057 -6.286 -9.567 1.00 0.00 O ATOM 0 H GLY A 91 84.389 -10.088 -10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 91 85.410 -8.022 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 91 84.450 -7.313 -11.432 1.00 0.00 H new ATOM 1152 N ARG A 92 82.987 -8.337 -8.646 1.00 0.00 N ATOM 1153 CA ARG A 92 82.039 -7.945 -7.610 1.00 0.00 C ATOM 1154 C ARG A 92 82.655 -6.888 -6.699 1.00 0.00 C ATOM 1155 O ARG A 92 83.844 -6.948 -6.382 1.00 0.00 O ATOM 1156 CB ARG A 92 81.645 -9.168 -6.777 1.00 0.00 C ATOM 1157 CG ARG A 92 80.851 -10.144 -7.647 1.00 0.00 C ATOM 1158 CD ARG A 92 80.477 -11.376 -6.821 1.00 0.00 C ATOM 1159 NE ARG A 92 79.757 -12.339 -7.648 1.00 0.00 N ATOM 1160 CZ ARG A 92 78.449 -12.229 -7.852 1.00 0.00 C ATOM 1161 NH1 ARG A 92 77.831 -13.103 -8.599 1.00 0.00 N ATOM 1162 NH2 ARG A 92 77.782 -11.250 -7.305 1.00 0.00 N ATOM 0 H ARG A 92 83.275 -9.315 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 92 81.153 -7.528 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 92 82.537 -9.657 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 92 81.047 -8.860 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 92 79.951 -9.660 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 92 81.443 -10.440 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 92 81.377 -11.837 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 92 79.859 -11.080 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 92 80.267 -13.111 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 92 78.352 -13.869 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 92 76.827 -13.020 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 92 78.265 -10.568 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 92 76.778 -11.167 -7.462 1.00 0.00 H new ATOM 1176 N VAL A 93 81.839 -5.923 -6.284 1.00 0.00 N ATOM 1177 CA VAL A 93 82.311 -4.854 -5.409 1.00 0.00 C ATOM 1178 C VAL A 93 81.392 -4.715 -4.202 1.00 0.00 C ATOM 1179 O VAL A 93 80.228 -5.114 -4.251 1.00 0.00 O ATOM 1180 CB VAL A 93 82.351 -3.530 -6.175 1.00 0.00 C ATOM 1181 CG1 VAL A 93 83.306 -3.658 -7.364 1.00 0.00 C ATOM 1182 CG2 VAL A 93 80.946 -3.185 -6.683 1.00 0.00 C ATOM 0 H VAL A 93 80.853 -5.859 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 93 83.315 -5.104 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 93 82.699 -2.739 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 93 83.335 -2.715 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 93 84.306 -3.899 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 93 82.958 -4.451 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 93 80.978 -2.242 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 93 80.595 -3.976 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 93 80.266 -3.092 -5.836 1.00 0.00 H new ATOM 1192 N TYR A 94 81.923 -4.149 -3.122 1.00 0.00 N ATOM 1193 CA TYR A 94 81.142 -3.963 -1.902 1.00 0.00 C ATOM 1194 C TYR A 94 81.003 -2.480 -1.584 1.00 0.00 C ATOM 1195 O TYR A 94 81.970 -1.718 -1.695 1.00 0.00 O ATOM 1196 CB TYR A 94 81.829 -4.672 -0.734 1.00 0.00 C ATOM 1197 CG TYR A 94 81.918 -6.151 -1.023 1.00 0.00 C ATOM 1198 CD1 TYR A 94 83.096 -6.691 -1.552 1.00 0.00 C ATOM 1199 CD2 TYR A 94 80.822 -6.983 -0.765 1.00 0.00 C ATOM 1200 CE1 TYR A 94 83.180 -8.061 -1.823 1.00 0.00 C ATOM 1201 CE2 TYR A 94 80.904 -8.353 -1.036 1.00 0.00 C ATOM 1202 CZ TYR A 94 82.083 -8.893 -1.565 1.00 0.00 C ATOM 1203 OH TYR A 94 82.164 -10.245 -1.832 1.00 0.00 O ATOM 0 H TYR A 94 82.884 -3.813 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 94 80.150 -4.388 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 94 82.827 -4.260 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 94 81.270 -4.504 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 94 83.941 -6.049 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 94 79.913 -6.567 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 94 84.090 -8.477 -2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 94 80.058 -8.994 -0.837 1.00 0.00 H new ATOM 0 HH TYR A 94 81.317 -10.677 -1.594 1.00 0.00 H new ATOM 1213 N VAL A 95 79.796 -2.074 -1.184 1.00 0.00 N ATOM 1214 CA VAL A 95 79.543 -0.677 -0.847 1.00 0.00 C ATOM 1215 C VAL A 95 79.115 -0.547 0.610 1.00 0.00 C ATOM 1216 O VAL A 95 78.123 -1.135 1.028 1.00 0.00 O ATOM 1217 CB VAL A 95 78.449 -0.116 -1.756 1.00 0.00 C ATOM 1218 CG1 VAL A 95 78.135 1.328 -1.360 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.927 -0.148 -3.209 1.00 0.00 C ATOM 0 H VAL A 95 78.987 -2.688 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 95 80.464 -0.112 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 95 77.550 -0.724 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 95 77.355 1.722 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.792 1.355 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 95 79.034 1.937 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 95 78.147 0.252 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 95 79.828 0.457 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 95 79.147 -1.176 -3.497 1.00 0.00 H new ATOM 1229 N LEU A 96 79.870 0.232 1.373 1.00 0.00 N ATOM 1230 CA LEU A 96 79.562 0.442 2.782 1.00 0.00 C ATOM 1231 C LEU A 96 78.827 1.761 2.978 1.00 0.00 C ATOM 1232 O LEU A 96 79.216 2.786 2.418 1.00 0.00 O ATOM 1233 CB LEU A 96 80.856 0.448 3.600 1.00 0.00 C ATOM 1234 CG LEU A 96 81.301 -0.988 3.885 1.00 0.00 C ATOM 1235 CD1 LEU A 96 82.766 -0.989 4.326 1.00 0.00 C ATOM 1236 CD2 LEU A 96 80.444 -1.593 5.004 1.00 0.00 C ATOM 0 H LEU A 96 80.698 0.728 1.042 1.00 0.00 H new ATOM 0 HA LEU A 96 78.920 -0.371 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.637 0.979 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.701 0.982 4.537 1.00 0.00 H new ATOM 0 HG LEU A 96 81.183 -1.581 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 96 83.084 -2.012 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.385 -0.567 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 96 82.874 -0.389 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 96 80.769 -2.615 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.556 -0.998 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.398 -1.597 4.699 1.00 0.00 H new ATOM 1248 N LYS A 97 77.763 1.726 3.777 1.00 0.00 N ATOM 1249 CA LYS A 97 76.980 2.920 4.044 1.00 0.00 C ATOM 1250 C LYS A 97 76.889 3.156 5.547 1.00 0.00 C ATOM 1251 O LYS A 97 76.538 2.251 6.307 1.00 0.00 O ATOM 1252 CB LYS A 97 75.578 2.748 3.466 1.00 0.00 C ATOM 1253 CG LYS A 97 74.795 4.049 3.634 1.00 0.00 C ATOM 1254 CD LYS A 97 73.378 3.862 3.103 1.00 0.00 C ATOM 1255 CE LYS A 97 72.616 5.183 3.232 1.00 0.00 C ATOM 1256 NZ LYS A 97 71.149 4.924 3.186 1.00 0.00 N ATOM 0 H LYS A 97 77.428 0.885 4.247 1.00 0.00 H new ATOM 0 HA LYS A 97 77.464 3.778 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.638 2.481 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 97 75.062 1.932 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.766 4.335 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 97 75.292 4.857 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 97 73.406 3.544 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 97 72.868 3.077 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 97 72.879 5.675 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 97 72.901 5.859 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.635 5.824 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 70.904 4.472 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 70.883 4.295 3.970 1.00 0.00 H new ATOM 1270 N PHE A 98 77.200 4.374 5.970 1.00 0.00 N ATOM 1271 CA PHE A 98 77.145 4.718 7.384 1.00 0.00 C ATOM 1272 C PHE A 98 75.742 5.178 7.758 1.00 0.00 C ATOM 1273 O PHE A 98 75.234 6.154 7.212 1.00 0.00 O ATOM 1274 CB PHE A 98 78.148 5.836 7.670 1.00 0.00 C ATOM 1275 CG PHE A 98 79.550 5.281 7.596 1.00 0.00 C ATOM 1276 CD1 PHE A 98 80.141 5.041 6.350 1.00 0.00 C ATOM 1277 CD2 PHE A 98 80.260 5.013 8.772 1.00 0.00 C ATOM 1278 CE1 PHE A 98 81.443 4.530 6.279 1.00 0.00 C ATOM 1279 CE2 PHE A 98 81.562 4.504 8.701 1.00 0.00 C ATOM 1280 CZ PHE A 98 82.153 4.262 7.456 1.00 0.00 C ATOM 0 H PHE A 98 77.491 5.136 5.358 1.00 0.00 H new ATOM 0 HA PHE A 98 77.396 3.839 7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 98 78.026 6.643 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 98 77.965 6.261 8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 98 79.593 5.250 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 98 79.804 5.199 9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 98 81.899 4.343 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 98 82.111 4.298 9.608 1.00 0.00 H new ATOM 0 HZ PHE A 98 83.157 3.868 7.403 1.00 0.00 H new ATOM 1290 N LYS A 99 75.120 4.465 8.686 1.00 0.00 N ATOM 1291 CA LYS A 99 73.771 4.804 9.122 1.00 0.00 C ATOM 1292 C LYS A 99 73.762 6.156 9.829 1.00 0.00 C ATOM 1293 O LYS A 99 72.774 6.889 9.779 1.00 0.00 O ATOM 1294 CB LYS A 99 73.236 3.722 10.062 1.00 0.00 C ATOM 1295 CG LYS A 99 73.065 2.416 9.281 1.00 0.00 C ATOM 1296 CD LYS A 99 72.354 1.378 10.153 1.00 0.00 C ATOM 1297 CE LYS A 99 70.840 1.498 9.962 1.00 0.00 C ATOM 1298 NZ LYS A 99 70.484 1.085 8.575 1.00 0.00 N ATOM 0 H LYS A 99 75.525 3.652 9.150 1.00 0.00 H new ATOM 0 HA LYS A 99 73.128 4.865 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 99 73.924 3.574 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 99 72.282 4.033 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.489 2.597 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 99 74.039 2.037 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 99 72.686 0.375 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 99 72.612 1.531 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 99 70.320 0.870 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 99 70.519 2.524 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 69.533 0.664 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 70.496 1.917 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.174 0.386 8.233 1.00 0.00 H new ATOM 1312 N ALA A 100 74.869 6.476 10.491 1.00 0.00 N ATOM 1313 CA ALA A 100 74.983 7.739 11.213 1.00 0.00 C ATOM 1314 C ALA A 100 74.960 8.919 10.245 1.00 0.00 C ATOM 1315 O ALA A 100 74.623 10.040 10.627 1.00 0.00 O ATOM 1316 CB ALA A 100 76.281 7.763 12.024 1.00 0.00 C ATOM 0 H ALA A 100 75.696 5.882 10.543 1.00 0.00 H new ATOM 0 HA ALA A 100 74.132 7.826 11.889 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.358 8.709 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 100 76.278 6.940 12.739 1.00 0.00 H new ATOM 0 HB3 ALA A 100 77.132 7.657 11.352 1.00 0.00 H new ATOM 1322 N GLY A 101 75.326 8.661 8.994 1.00 0.00 N ATOM 1323 CA GLY A 101 75.348 9.709 7.981 1.00 0.00 C ATOM 1324 C GLY A 101 74.978 9.147 6.614 1.00 0.00 C ATOM 1325 O GLY A 101 74.247 8.162 6.514 1.00 0.00 O ATOM 0 H GLY A 101 75.610 7.740 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 101 74.650 10.501 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 101 76.340 10.159 7.938 1.00 0.00 H new ATOM 1329 N SER A 102 75.490 9.782 5.565 1.00 0.00 N ATOM 1330 CA SER A 102 75.219 9.343 4.200 1.00 0.00 C ATOM 1331 C SER A 102 76.515 9.030 3.467 1.00 0.00 C ATOM 1332 O SER A 102 76.532 8.903 2.247 1.00 0.00 O ATOM 1333 CB SER A 102 74.448 10.419 3.444 1.00 0.00 C ATOM 1334 OG SER A 102 74.913 11.700 3.845 1.00 0.00 O ATOM 0 H SER A 102 76.094 10.601 5.633 1.00 0.00 H new ATOM 0 HA SER A 102 74.617 8.436 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 102 74.581 10.291 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 102 73.381 10.327 3.646 1.00 0.00 H new ATOM 0 HG SER A 102 74.420 12.394 3.359 1.00 0.00 H new ATOM 1340 N LYS A 103 77.600 8.905 4.218 1.00 0.00 N ATOM 1341 CA LYS A 103 78.894 8.603 3.623 1.00 0.00 C ATOM 1342 C LYS A 103 78.882 7.215 2.992 1.00 0.00 C ATOM 1343 O LYS A 103 78.426 6.248 3.608 1.00 0.00 O ATOM 1344 CB LYS A 103 79.982 8.669 4.694 1.00 0.00 C ATOM 1345 CG LYS A 103 81.369 8.597 4.035 1.00 0.00 C ATOM 1346 CD LYS A 103 82.162 7.397 4.571 1.00 0.00 C ATOM 1347 CE LYS A 103 82.681 7.698 5.980 1.00 0.00 C ATOM 1348 NZ LYS A 103 81.752 8.636 6.669 1.00 0.00 N ATOM 0 H LYS A 103 77.611 9.007 5.233 1.00 0.00 H new ATOM 0 HA LYS A 103 79.100 9.339 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 103 79.888 9.593 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 103 79.861 7.846 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 103 81.260 8.513 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 103 81.918 9.518 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 103 81.528 6.511 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 103 82.997 7.177 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 103 82.769 6.773 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 103 83.678 8.134 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 82.117 8.851 7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 81.677 9.516 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.813 8.197 6.750 1.00 0.00 H new ATOM 1362 N ARG A 104 79.385 7.122 1.763 1.00 0.00 N ATOM 1363 CA ARG A 104 79.428 5.849 1.055 1.00 0.00 C ATOM 1364 C ARG A 104 80.869 5.452 0.744 1.00 0.00 C ATOM 1365 O ARG A 104 81.634 6.242 0.190 1.00 0.00 O ATOM 1366 CB ARG A 104 78.646 5.955 -0.256 1.00 0.00 C ATOM 1367 CG ARG A 104 77.253 6.527 0.019 1.00 0.00 C ATOM 1368 CD ARG A 104 77.255 8.034 -0.250 1.00 0.00 C ATOM 1369 NE ARG A 104 77.545 8.297 -1.654 1.00 0.00 N ATOM 1370 CZ ARG A 104 76.581 8.285 -2.570 1.00 0.00 C ATOM 1371 NH1 ARG A 104 76.865 8.520 -3.821 1.00 0.00 N ATOM 1372 NH2 ARG A 104 75.348 8.041 -2.218 1.00 0.00 N ATOM 0 H ARG A 104 79.766 7.910 1.240 1.00 0.00 H new ATOM 0 HA ARG A 104 78.979 5.089 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 104 79.180 6.595 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 104 78.561 4.973 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 104 76.515 6.035 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 104 76.966 6.332 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 104 76.286 8.459 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 104 77.999 8.522 0.380 1.00 0.00 H new ATOM 0 HE ARG A 104 78.504 8.494 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 104 77.827 8.713 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 104 76.125 8.510 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 104 75.123 7.859 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 104 74.609 8.032 -2.921 1.00 0.00 H new ATOM 1386 N LEU A 105 81.220 4.219 1.093 1.00 0.00 N ATOM 1387 CA LEU A 105 82.563 3.703 0.838 1.00 0.00 C ATOM 1388 C LEU A 105 82.507 2.546 -0.153 1.00 0.00 C ATOM 1389 O LEU A 105 81.676 1.650 -0.025 1.00 0.00 O ATOM 1390 CB LEU A 105 83.205 3.235 2.145 1.00 0.00 C ATOM 1391 CG LEU A 105 84.228 4.270 2.616 1.00 0.00 C ATOM 1392 CD1 LEU A 105 84.642 3.957 4.055 1.00 0.00 C ATOM 1393 CD2 LEU A 105 85.463 4.220 1.711 1.00 0.00 C ATOM 0 H LEU A 105 80.595 3.557 1.553 1.00 0.00 H new ATOM 0 HA LEU A 105 83.166 4.504 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.439 3.093 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 105 83.691 2.270 1.998 1.00 0.00 H new ATOM 0 HG LEU A 105 83.784 5.264 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.371 4.694 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 105 83.765 3.992 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.085 2.962 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.191 4.958 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.907 3.226 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 105 85.171 4.441 0.684 1.00 0.00 H new ATOM 1405 N PHE A 106 83.394 2.578 -1.143 1.00 0.00 N ATOM 1406 CA PHE A 106 83.436 1.530 -2.159 1.00 0.00 C ATOM 1407 C PHE A 106 84.835 0.932 -2.263 1.00 0.00 C ATOM 1408 O PHE A 106 85.809 1.647 -2.490 1.00 0.00 O ATOM 1409 CB PHE A 106 83.024 2.110 -3.513 1.00 0.00 C ATOM 1410 CG PHE A 106 82.902 3.611 -3.402 1.00 0.00 C ATOM 1411 CD1 PHE A 106 84.053 4.410 -3.364 1.00 0.00 C ATOM 1412 CD2 PHE A 106 81.636 4.205 -3.338 1.00 0.00 C ATOM 1413 CE1 PHE A 106 83.935 5.803 -3.263 1.00 0.00 C ATOM 1414 CE2 PHE A 106 81.519 5.596 -3.237 1.00 0.00 C ATOM 1415 CZ PHE A 106 82.668 6.395 -3.199 1.00 0.00 C ATOM 0 H PHE A 106 84.090 3.314 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 106 82.742 0.740 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 106 83.762 1.850 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 106 82.074 1.680 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 106 85.030 3.953 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 106 80.749 3.589 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 106 84.821 6.419 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 106 80.542 6.053 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 106 82.577 7.468 -3.120 1.00 0.00 H new ATOM 1425 N PHE A 107 84.926 -0.385 -2.102 1.00 0.00 N ATOM 1426 CA PHE A 107 86.216 -1.059 -2.189 1.00 0.00 C ATOM 1427 C PHE A 107 86.022 -2.527 -2.549 1.00 0.00 C ATOM 1428 O PHE A 107 84.906 -3.050 -2.500 1.00 0.00 O ATOM 1429 CB PHE A 107 86.965 -0.956 -0.859 1.00 0.00 C ATOM 1430 CG PHE A 107 86.424 -1.979 0.107 1.00 0.00 C ATOM 1431 CD1 PHE A 107 87.120 -3.177 0.305 1.00 0.00 C ATOM 1432 CD2 PHE A 107 85.229 -1.741 0.796 1.00 0.00 C ATOM 1433 CE1 PHE A 107 86.623 -4.138 1.193 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.732 -2.702 1.686 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.429 -3.900 1.884 1.00 0.00 C ATOM 0 H PHE A 107 84.134 -0.999 -1.913 1.00 0.00 H new ATOM 0 HA PHE A 107 86.803 -0.572 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 107 88.031 -1.119 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.853 0.046 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 107 88.041 -3.360 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 107 84.691 -0.818 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.160 -5.062 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.811 -2.519 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.045 -4.641 2.570 1.00 0.00 H new ATOM 1445 N TRP A 108 87.117 -3.187 -2.908 1.00 0.00 N ATOM 1446 CA TRP A 108 87.065 -4.596 -3.274 1.00 0.00 C ATOM 1447 C TRP A 108 88.335 -5.313 -2.817 1.00 0.00 C ATOM 1448 O TRP A 108 89.366 -4.680 -2.565 1.00 0.00 O ATOM 1449 CB TRP A 108 86.889 -4.727 -4.792 1.00 0.00 C ATOM 1450 CG TRP A 108 88.000 -4.008 -5.482 1.00 0.00 C ATOM 1451 CD1 TRP A 108 88.175 -2.667 -5.465 1.00 0.00 C ATOM 1452 CD2 TRP A 108 89.074 -4.551 -6.303 1.00 0.00 C ATOM 1453 NE1 TRP A 108 89.301 -2.354 -6.203 1.00 0.00 N ATOM 1454 CE2 TRP A 108 89.888 -3.480 -6.742 1.00 0.00 C ATOM 1455 CE3 TRP A 108 89.424 -5.855 -6.700 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 91.008 -3.694 -7.545 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 90.552 -6.071 -7.510 1.00 0.00 C ATOM 1458 CH2 TRP A 108 91.340 -4.995 -7.929 1.00 0.00 C ATOM 0 H TRP A 108 88.047 -2.771 -2.953 1.00 0.00 H new ATOM 0 HA TRP A 108 86.215 -5.063 -2.777 1.00 0.00 H new ATOM 0 HB2 TRP A 108 86.887 -5.778 -5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 108 85.928 -4.312 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 108 87.539 -1.957 -4.958 1.00 0.00 H new ATOM 0 HE1 TRP A 108 89.655 -1.406 -6.333 1.00 0.00 H new ATOM 0 HE3 TRP A 108 88.823 -6.694 -6.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 91.614 -2.860 -7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 90.812 -7.075 -7.811 1.00 0.00 H new ATOM 0 HH2 TRP A 108 92.206 -5.170 -8.550 1.00 0.00 H new ATOM 1469 N MET A 109 88.237 -6.638 -2.705 1.00 0.00 N ATOM 1470 CA MET A 109 89.356 -7.469 -2.263 1.00 0.00 C ATOM 1471 C MET A 109 90.504 -7.414 -3.270 1.00 0.00 C ATOM 1472 O MET A 109 90.886 -8.424 -3.860 1.00 0.00 O ATOM 1473 CB MET A 109 88.887 -8.918 -2.058 1.00 0.00 C ATOM 1474 CG MET A 109 88.552 -9.130 -0.583 1.00 0.00 C ATOM 1475 SD MET A 109 87.467 -7.798 -0.020 1.00 0.00 S ATOM 1476 CE MET A 109 87.844 -7.962 1.736 1.00 0.00 C ATOM 0 H MET A 109 87.387 -7.161 -2.916 1.00 0.00 H new ATOM 0 HA MET A 109 89.722 -7.080 -1.313 1.00 0.00 H new ATOM 0 HB2 MET A 109 88.012 -9.121 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 109 89.666 -9.613 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 109 88.065 -10.095 -0.444 1.00 0.00 H new ATOM 0 HG3 MET A 109 89.466 -9.146 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 109 87.018 -7.563 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 109 87.988 -9.014 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 109 88.754 -7.408 1.966 1.00 0.00 H new ATOM 1486 N GLN A 110 91.052 -6.222 -3.464 1.00 0.00 N ATOM 1487 CA GLN A 110 92.146 -6.048 -4.405 1.00 0.00 C ATOM 1488 C GLN A 110 93.366 -6.804 -3.923 1.00 0.00 C ATOM 1489 O GLN A 110 94.330 -6.982 -4.660 1.00 0.00 O ATOM 1490 CB GLN A 110 92.484 -4.565 -4.550 1.00 0.00 C ATOM 1491 CG GLN A 110 93.572 -4.373 -5.612 1.00 0.00 C ATOM 1492 CD GLN A 110 94.886 -3.967 -4.949 1.00 0.00 C ATOM 1493 OE1 GLN A 110 95.526 -3.011 -5.380 1.00 0.00 O ATOM 1494 NE2 GLN A 110 95.328 -4.639 -3.921 1.00 0.00 N ATOM 0 H GLN A 110 90.759 -5.370 -2.987 1.00 0.00 H new ATOM 0 HA GLN A 110 91.840 -6.440 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 110 91.591 -4.006 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 110 92.824 -4.167 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 110 93.709 -5.297 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 110 93.264 -3.608 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 110 94.796 -5.433 -3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 110 96.205 -4.370 -3.475 1.00 0.00 H new ATOM 1503 N GLU A 111 93.327 -7.243 -2.679 1.00 0.00 N ATOM 1504 CA GLU A 111 94.447 -7.972 -2.123 1.00 0.00 C ATOM 1505 C GLU A 111 94.678 -9.271 -2.908 1.00 0.00 C ATOM 1506 O GLU A 111 93.729 -9.864 -3.425 1.00 0.00 O ATOM 1507 CB GLU A 111 94.157 -8.281 -0.656 1.00 0.00 C ATOM 1508 CG GLU A 111 92.922 -9.182 -0.541 1.00 0.00 C ATOM 1509 CD GLU A 111 92.605 -9.435 0.930 1.00 0.00 C ATOM 1510 OE1 GLU A 111 93.366 -8.977 1.766 1.00 0.00 O ATOM 1511 OE2 GLU A 111 91.605 -10.082 1.198 1.00 0.00 O ATOM 0 H GLU A 111 92.541 -7.109 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 111 95.351 -7.367 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 111 95.018 -8.772 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 111 93.993 -7.354 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 111 92.070 -8.711 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 111 93.101 -10.128 -1.052 1.00 0.00 H new ATOM 1518 N PRO A 112 95.908 -9.723 -3.012 1.00 0.00 N ATOM 1519 CA PRO A 112 96.243 -10.980 -3.753 1.00 0.00 C ATOM 1520 C PRO A 112 95.632 -12.221 -3.104 1.00 0.00 C ATOM 1521 O PRO A 112 95.417 -13.238 -3.764 1.00 0.00 O ATOM 1522 CB PRO A 112 97.773 -11.039 -3.714 1.00 0.00 C ATOM 1523 CG PRO A 112 98.168 -10.190 -2.557 1.00 0.00 C ATOM 1524 CD PRO A 112 97.117 -9.094 -2.450 1.00 0.00 C ATOM 0 HA PRO A 112 95.841 -10.968 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 112 98.124 -12.063 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 112 98.205 -10.665 -4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 112 98.211 -10.778 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 112 99.160 -9.764 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 112 96.965 -8.783 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.405 -8.205 -3.011 1.00 0.00 H new ATOM 1532 N LYS A 113 95.352 -12.131 -1.808 1.00 0.00 N ATOM 1533 CA LYS A 113 94.764 -13.252 -1.088 1.00 0.00 C ATOM 1534 C LYS A 113 93.252 -13.267 -1.288 1.00 0.00 C ATOM 1535 O LYS A 113 92.513 -12.611 -0.553 1.00 0.00 O ATOM 1536 CB LYS A 113 95.085 -13.131 0.403 1.00 0.00 C ATOM 1537 CG LYS A 113 96.532 -13.563 0.652 1.00 0.00 C ATOM 1538 CD LYS A 113 96.585 -15.066 0.933 1.00 0.00 C ATOM 1539 CE LYS A 113 98.035 -15.483 1.189 1.00 0.00 C ATOM 1540 NZ LYS A 113 98.060 -16.853 1.775 1.00 0.00 N ATOM 0 H LYS A 113 95.521 -11.301 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 113 95.182 -14.181 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 113 94.939 -12.103 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 113 94.404 -13.753 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 113 97.147 -13.325 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 113 96.945 -13.011 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 113 95.967 -15.308 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 113 96.179 -15.620 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 113 98.600 -15.464 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 113 98.514 -14.777 1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 99.045 -17.138 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 97.534 -16.856 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 97.618 -17.522 1.113 1.00 0.00 H new ATOM 1554 N THR A 114 92.806 -14.014 -2.291 1.00 0.00 N ATOM 1555 CA THR A 114 91.382 -14.103 -2.593 1.00 0.00 C ATOM 1556 C THR A 114 90.824 -15.461 -2.187 1.00 0.00 C ATOM 1557 O THR A 114 89.743 -15.856 -2.623 1.00 0.00 O ATOM 1558 CB THR A 114 91.142 -13.872 -4.087 1.00 0.00 C ATOM 1559 OG1 THR A 114 91.854 -14.845 -4.838 1.00 0.00 O ATOM 1560 CG2 THR A 114 91.625 -12.472 -4.471 1.00 0.00 C ATOM 0 H THR A 114 93.406 -14.564 -2.906 1.00 0.00 H new ATOM 0 HA THR A 114 90.867 -13.331 -2.022 1.00 0.00 H new ATOM 0 HB THR A 114 90.077 -13.959 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 114 91.699 -14.698 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 114 91.454 -12.307 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 114 91.075 -11.727 -3.896 1.00 0.00 H new ATOM 0 HG23 THR A 114 92.690 -12.383 -4.256 1.00 0.00 H new ATOM 1568 N ASP A 115 91.573 -16.175 -1.356 1.00 0.00 N ATOM 1569 CA ASP A 115 91.147 -17.493 -0.902 1.00 0.00 C ATOM 1570 C ASP A 115 90.280 -17.384 0.348 1.00 0.00 C ATOM 1571 O ASP A 115 89.764 -18.387 0.842 1.00 0.00 O ATOM 1572 CB ASP A 115 92.373 -18.354 -0.596 1.00 0.00 C ATOM 1573 CG ASP A 115 93.093 -18.708 -1.893 1.00 0.00 C ATOM 1574 OD1 ASP A 115 92.502 -18.524 -2.944 1.00 0.00 O ATOM 1575 OD2 ASP A 115 94.225 -19.157 -1.815 1.00 0.00 O ATOM 0 H ASP A 115 92.472 -15.867 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 115 90.559 -17.955 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 115 93.048 -17.818 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 115 92.070 -19.264 -0.078 1.00 0.00 H new ATOM 1580 N GLN A 116 90.128 -16.167 0.860 1.00 0.00 N ATOM 1581 CA GLN A 116 89.324 -15.952 2.055 1.00 0.00 C ATOM 1582 C GLN A 116 88.434 -14.732 1.885 1.00 0.00 C ATOM 1583 O GLN A 116 88.015 -14.124 2.867 1.00 0.00 O ATOM 1584 CB GLN A 116 90.239 -15.762 3.268 1.00 0.00 C ATOM 1585 CG GLN A 116 91.111 -17.007 3.457 1.00 0.00 C ATOM 1586 CD GLN A 116 90.237 -18.224 3.748 1.00 0.00 C ATOM 1587 OE1 GLN A 116 89.197 -18.101 4.395 1.00 0.00 O ATOM 1588 NE2 GLN A 116 90.599 -19.399 3.309 1.00 0.00 N ATOM 0 H GLN A 116 90.547 -15.323 0.470 1.00 0.00 H new ATOM 0 HA GLN A 116 88.692 -16.826 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 116 90.868 -14.883 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 116 89.641 -15.586 4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 116 91.705 -17.183 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 116 91.811 -16.848 4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 116 91.461 -19.500 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 116 90.020 -20.216 3.502 1.00 0.00 H new ATOM 1597 N ASP A 117 88.155 -14.368 0.639 1.00 0.00 N ATOM 1598 CA ASP A 117 87.318 -13.207 0.375 1.00 0.00 C ATOM 1599 C ASP A 117 85.922 -13.385 0.960 1.00 0.00 C ATOM 1600 O ASP A 117 85.371 -12.460 1.556 1.00 0.00 O ATOM 1601 CB ASP A 117 87.199 -12.969 -1.131 1.00 0.00 C ATOM 1602 CG ASP A 117 88.503 -12.405 -1.681 1.00 0.00 C ATOM 1603 OD1 ASP A 117 89.335 -12.001 -0.886 1.00 0.00 O ATOM 1604 OD2 ASP A 117 88.651 -12.384 -2.892 1.00 0.00 O ATOM 0 H ASP A 117 88.491 -14.853 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 117 87.792 -12.348 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 117 86.958 -13.904 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 117 86.381 -12.277 -1.333 1.00 0.00 H new ATOM 1609 N GLU A 118 85.356 -14.573 0.785 1.00 0.00 N ATOM 1610 CA GLU A 118 84.024 -14.849 1.299 1.00 0.00 C ATOM 1611 C GLU A 118 84.043 -14.931 2.819 1.00 0.00 C ATOM 1612 O GLU A 118 83.142 -14.434 3.490 1.00 0.00 O ATOM 1613 CB GLU A 118 83.504 -16.166 0.717 1.00 0.00 C ATOM 1614 CG GLU A 118 83.254 -15.996 -0.783 1.00 0.00 C ATOM 1615 CD GLU A 118 82.772 -17.312 -1.385 1.00 0.00 C ATOM 1616 OE1 GLU A 118 82.780 -18.304 -0.675 1.00 0.00 O ATOM 1617 OE2 GLU A 118 82.401 -17.309 -2.547 1.00 0.00 O ATOM 0 H GLU A 118 85.795 -15.353 0.296 1.00 0.00 H new ATOM 0 HA GLU A 118 83.363 -14.035 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 118 84.228 -16.963 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 118 82.582 -16.459 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 118 82.511 -15.217 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 118 84.170 -15.674 -1.278 1.00 0.00 H new ATOM 1624 N GLU A 119 85.077 -15.566 3.353 1.00 0.00 N ATOM 1625 CA GLU A 119 85.203 -15.714 4.792 1.00 0.00 C ATOM 1626 C GLU A 119 85.494 -14.376 5.458 1.00 0.00 C ATOM 1627 O GLU A 119 84.961 -14.074 6.521 1.00 0.00 O ATOM 1628 CB GLU A 119 86.330 -16.698 5.119 1.00 0.00 C ATOM 1629 CG GLU A 119 85.956 -18.095 4.618 1.00 0.00 C ATOM 1630 CD GLU A 119 84.824 -18.668 5.464 1.00 0.00 C ATOM 1631 OE1 GLU A 119 84.567 -18.121 6.523 1.00 0.00 O ATOM 1632 OE2 GLU A 119 84.233 -19.647 5.040 1.00 0.00 O ATOM 0 H GLU A 119 85.835 -15.984 2.814 1.00 0.00 H new ATOM 0 HA GLU A 119 84.256 -16.095 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 119 87.259 -16.370 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 119 86.505 -16.721 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 119 85.651 -18.046 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 119 86.825 -18.752 4.665 1.00 0.00 H new ATOM 1639 N HIS A 120 86.347 -13.582 4.825 1.00 0.00 N ATOM 1640 CA HIS A 120 86.715 -12.280 5.364 1.00 0.00 C ATOM 1641 C HIS A 120 85.508 -11.354 5.386 1.00 0.00 C ATOM 1642 O HIS A 120 85.244 -10.686 6.380 1.00 0.00 O ATOM 1643 CB HIS A 120 87.830 -11.658 4.520 1.00 0.00 C ATOM 1644 CG HIS A 120 88.379 -10.445 5.224 1.00 0.00 C ATOM 1645 ND1 HIS A 120 88.318 -9.174 4.673 1.00 0.00 N ATOM 1646 CD2 HIS A 120 89.007 -10.299 6.435 1.00 0.00 C ATOM 1647 CE1 HIS A 120 88.899 -8.328 5.544 1.00 0.00 C ATOM 1648 NE2 HIS A 120 89.336 -8.962 6.636 1.00 0.00 N ATOM 0 H HIS A 120 86.796 -13.816 3.940 1.00 0.00 H new ATOM 0 HA HIS A 120 87.072 -12.416 6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 120 88.624 -12.386 4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 120 87.445 -11.379 3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 120 89.215 -11.101 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 120 89.000 -7.265 5.380 1.00 0.00 H new ATOM 0 HE2 HIS A 120 89.809 -8.554 7.443 1.00 0.00 H new ATOM 1656 N CYS A 121 84.774 -11.326 4.282 1.00 0.00 N ATOM 1657 CA CYS A 121 83.594 -10.480 4.186 1.00 0.00 C ATOM 1658 C CYS A 121 82.567 -10.883 5.235 1.00 0.00 C ATOM 1659 O CYS A 121 82.021 -10.038 5.941 1.00 0.00 O ATOM 1660 CB CYS A 121 82.979 -10.595 2.789 1.00 0.00 C ATOM 1661 SG CYS A 121 81.537 -9.509 2.672 1.00 0.00 S ATOM 0 H CYS A 121 84.973 -11.875 3.446 1.00 0.00 H new ATOM 0 HA CYS A 121 83.892 -9.446 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 121 83.715 -10.322 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 121 82.687 -11.627 2.592 1.00 0.00 H new ATOM 0 HG CYS A 121 80.949 -9.443 3.829 1.00 0.00 H new ATOM 1667 N ARG A 122 82.313 -12.182 5.335 1.00 0.00 N ATOM 1668 CA ARG A 122 81.350 -12.684 6.308 1.00 0.00 C ATOM 1669 C ARG A 122 81.857 -12.482 7.731 1.00 0.00 C ATOM 1670 O ARG A 122 81.116 -12.039 8.607 1.00 0.00 O ATOM 1671 CB ARG A 122 81.090 -14.172 6.064 1.00 0.00 C ATOM 1672 CG ARG A 122 79.820 -14.354 5.228 1.00 0.00 C ATOM 1673 CD ARG A 122 79.943 -13.588 3.910 1.00 0.00 C ATOM 1674 NE ARG A 122 79.126 -14.224 2.885 1.00 0.00 N ATOM 1675 CZ ARG A 122 78.711 -13.546 1.820 1.00 0.00 C ATOM 1676 NH1 ARG A 122 77.999 -14.143 0.904 1.00 0.00 N ATOM 1677 NH2 ARG A 122 79.013 -12.283 1.694 1.00 0.00 N ATOM 0 H ARG A 122 82.755 -12.900 4.761 1.00 0.00 H new ATOM 0 HA ARG A 122 80.422 -12.125 6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 122 81.941 -14.618 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 122 80.985 -14.692 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 122 79.656 -15.413 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 122 78.954 -13.997 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 122 79.626 -12.555 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 122 80.985 -13.561 3.591 1.00 0.00 H new ATOM 0 HE ARG A 122 78.868 -15.206 2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 122 77.761 -15.130 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 122 77.680 -13.623 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 122 79.567 -11.817 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 122 78.695 -11.762 0.877 1.00 0.00 H new ATOM 1691 N LYS A 123 83.120 -12.813 7.958 1.00 0.00 N ATOM 1692 CA LYS A 123 83.706 -12.666 9.283 1.00 0.00 C ATOM 1693 C LYS A 123 83.764 -11.201 9.689 1.00 0.00 C ATOM 1694 O LYS A 123 83.407 -10.845 10.809 1.00 0.00 O ATOM 1695 CB LYS A 123 85.116 -13.260 9.298 1.00 0.00 C ATOM 1696 CG LYS A 123 85.026 -14.787 9.259 1.00 0.00 C ATOM 1697 CD LYS A 123 84.931 -15.327 10.688 1.00 0.00 C ATOM 1698 CE LYS A 123 84.196 -16.668 10.684 1.00 0.00 C ATOM 1699 NZ LYS A 123 84.255 -17.272 12.045 1.00 0.00 N ATOM 0 H LYS A 123 83.754 -13.182 7.249 1.00 0.00 H new ATOM 0 HA LYS A 123 83.078 -13.200 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 123 85.685 -12.896 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 123 85.648 -12.939 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 123 84.154 -15.096 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 123 85.902 -15.201 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 123 85.929 -15.450 11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 123 84.404 -14.614 11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 123 83.158 -16.525 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 123 84.649 -17.341 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 83.755 -18.184 12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 85.248 -17.422 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 83.803 -16.632 12.729 1.00 0.00 H new ATOM 1713 N VAL A 124 84.193 -10.356 8.763 1.00 0.00 N ATOM 1714 CA VAL A 124 84.278 -8.932 9.029 1.00 0.00 C ATOM 1715 C VAL A 124 82.894 -8.385 9.293 1.00 0.00 C ATOM 1716 O VAL A 124 82.684 -7.605 10.222 1.00 0.00 O ATOM 1717 CB VAL A 124 84.916 -8.212 7.839 1.00 0.00 C ATOM 1718 CG1 VAL A 124 84.781 -6.698 8.018 1.00 0.00 C ATOM 1719 CG2 VAL A 124 86.399 -8.577 7.761 1.00 0.00 C ATOM 0 H VAL A 124 84.486 -10.632 7.826 1.00 0.00 H new ATOM 0 HA VAL A 124 84.901 -8.766 9.908 1.00 0.00 H new ATOM 0 HB VAL A 124 84.411 -8.516 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 124 85.237 -6.189 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 124 83.726 -6.431 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 124 85.284 -6.394 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 124 86.856 -8.065 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 124 86.898 -8.272 8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 124 86.502 -9.654 7.632 1.00 0.00 H new ATOM 1729 N ASN A 125 81.947 -8.800 8.468 1.00 0.00 N ATOM 1730 CA ASN A 125 80.584 -8.345 8.624 1.00 0.00 C ATOM 1731 C ASN A 125 80.007 -8.816 9.952 1.00 0.00 C ATOM 1732 O ASN A 125 79.287 -8.081 10.623 1.00 0.00 O ATOM 1733 CB ASN A 125 79.716 -8.854 7.474 1.00 0.00 C ATOM 1734 CG ASN A 125 80.084 -8.121 6.188 1.00 0.00 C ATOM 1735 OD1 ASN A 125 79.860 -8.690 5.036 1.00 0.00 O flip ATOM 1736 ND2 ASN A 125 80.592 -7.001 6.236 1.00 0.00 N flip ATOM 0 H ASN A 125 82.099 -9.445 7.692 1.00 0.00 H new ATOM 0 HA ASN A 125 80.589 -7.255 8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 125 79.858 -9.927 7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 125 78.662 -8.697 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 125 80.766 -6.558 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 125 80.839 -6.516 5.374 1.00 0.00 H new ATOM 1743 N GLU A 126 80.320 -10.053 10.317 1.00 0.00 N ATOM 1744 CA GLU A 126 79.821 -10.624 11.560 1.00 0.00 C ATOM 1745 C GLU A 126 80.353 -9.854 12.765 1.00 0.00 C ATOM 1746 O GLU A 126 79.610 -9.560 13.700 1.00 0.00 O ATOM 1747 CB GLU A 126 80.253 -12.092 11.657 1.00 0.00 C ATOM 1748 CG GLU A 126 79.644 -12.747 12.900 1.00 0.00 C ATOM 1749 CD GLU A 126 78.124 -12.786 12.773 1.00 0.00 C ATOM 1750 OE1 GLU A 126 77.640 -12.668 11.659 1.00 0.00 O ATOM 1751 OE2 GLU A 126 77.466 -12.932 13.789 1.00 0.00 O ATOM 0 H GLU A 126 80.915 -10.677 9.772 1.00 0.00 H new ATOM 0 HA GLU A 126 78.733 -10.556 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 126 79.938 -12.630 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 126 81.340 -12.156 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 126 80.034 -13.758 13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 126 79.929 -12.190 13.792 1.00 0.00 H new ATOM 1758 N TYR A 127 81.648 -9.542 12.750 1.00 0.00 N ATOM 1759 CA TYR A 127 82.253 -8.818 13.863 1.00 0.00 C ATOM 1760 C TYR A 127 81.675 -7.415 13.986 1.00 0.00 C ATOM 1761 O TYR A 127 81.369 -6.953 15.085 1.00 0.00 O ATOM 1762 CB TYR A 127 83.773 -8.721 13.674 1.00 0.00 C ATOM 1763 CG TYR A 127 84.436 -10.001 14.139 1.00 0.00 C ATOM 1764 CD1 TYR A 127 85.124 -10.809 13.225 1.00 0.00 C ATOM 1765 CD2 TYR A 127 84.356 -10.383 15.485 1.00 0.00 C ATOM 1766 CE1 TYR A 127 85.727 -11.996 13.655 1.00 0.00 C ATOM 1767 CE2 TYR A 127 84.962 -11.568 15.914 1.00 0.00 C ATOM 1768 CZ TYR A 127 85.647 -12.375 14.999 1.00 0.00 C ATOM 1769 OH TYR A 127 86.242 -13.546 15.421 1.00 0.00 O ATOM 0 H TYR A 127 82.289 -9.775 11.991 1.00 0.00 H new ATOM 0 HA TYR A 127 82.031 -9.372 14.775 1.00 0.00 H new ATOM 0 HB2 TYR A 127 84.006 -8.541 12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 127 84.164 -7.874 14.237 1.00 0.00 H new ATOM 0 HD1 TYR A 127 85.189 -10.516 12.188 1.00 0.00 H new ATOM 0 HD2 TYR A 127 83.826 -9.762 16.192 1.00 0.00 H new ATOM 0 HE1 TYR A 127 86.255 -12.620 12.949 1.00 0.00 H new ATOM 0 HE2 TYR A 127 84.901 -11.860 16.952 1.00 0.00 H new ATOM 0 HH TYR A 127 86.093 -13.660 16.383 1.00 0.00 H new ATOM 1779 N LEU A 128 81.535 -6.741 12.854 1.00 0.00 N ATOM 1780 CA LEU A 128 81.001 -5.387 12.846 1.00 0.00 C ATOM 1781 C LEU A 128 79.508 -5.391 13.148 1.00 0.00 C ATOM 1782 O LEU A 128 79.005 -4.510 13.845 1.00 0.00 O ATOM 1783 CB LEU A 128 81.261 -4.734 11.485 1.00 0.00 C ATOM 1784 CG LEU A 128 82.577 -3.944 11.520 1.00 0.00 C ATOM 1785 CD1 LEU A 128 82.452 -2.726 12.446 1.00 0.00 C ATOM 1786 CD2 LEU A 128 83.699 -4.854 12.022 1.00 0.00 C ATOM 0 H LEU A 128 81.782 -7.107 11.934 1.00 0.00 H new ATOM 0 HA LEU A 128 81.504 -4.812 13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 128 81.308 -5.498 10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 128 80.436 -4.070 11.228 1.00 0.00 H new ATOM 0 HG LEU A 128 82.804 -3.594 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 128 83.395 -2.179 12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 128 81.658 -2.073 12.083 1.00 0.00 H new ATOM 0 HD13 LEU A 128 82.214 -3.060 13.456 1.00 0.00 H new ATOM 0 HD21 LEU A 128 84.635 -4.297 12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 128 83.459 -5.208 13.025 1.00 0.00 H new ATOM 0 HD23 LEU A 128 83.803 -5.707 11.351 1.00 0.00 H new ATOM 1798 N ASN A 129 78.806 -6.380 12.617 1.00 0.00 N ATOM 1799 CA ASN A 129 77.371 -6.481 12.832 1.00 0.00 C ATOM 1800 C ASN A 129 77.068 -7.487 13.937 1.00 0.00 C ATOM 1801 O ASN A 129 75.921 -7.888 14.129 1.00 0.00 O ATOM 1802 CB ASN A 129 76.686 -6.917 11.540 1.00 0.00 C ATOM 1803 CG ASN A 129 75.201 -6.588 11.603 1.00 0.00 C ATOM 1804 OD1 ASN A 129 74.664 -6.342 12.683 1.00 0.00 O ATOM 1805 ND2 ASN A 129 74.500 -6.566 10.503 1.00 0.00 N ATOM 0 H ASN A 129 79.203 -7.120 12.038 1.00 0.00 H new ATOM 0 HA ASN A 129 76.993 -5.504 13.133 1.00 0.00 H new ATOM 0 HB2 ASN A 129 77.143 -6.413 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 129 76.824 -7.988 11.389 1.00 0.00 H new ATOM 0 HD21 ASN A 129 73.505 -6.345 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 129 74.947 -6.770 9.609 1.00 0.00 H new ATOM 1862 N PRO B 942 95.269 -10.595 -8.737 1.00 0.00 N ATOM 1863 CA PRO B 942 93.778 -10.528 -8.636 1.00 0.00 C ATOM 1864 C PRO B 942 93.143 -9.922 -9.887 1.00 0.00 C ATOM 1865 O PRO B 942 93.797 -9.190 -10.629 1.00 0.00 O ATOM 1866 CB PRO B 942 93.543 -9.649 -7.406 1.00 0.00 C ATOM 1867 CG PRO B 942 94.743 -8.771 -7.325 1.00 0.00 C ATOM 1868 CD PRO B 942 95.910 -9.606 -7.849 1.00 0.00 C ATOM 0 HA PRO B 942 93.323 -11.514 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO B 942 92.631 -9.062 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO B 942 93.434 -10.252 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO B 942 94.608 -7.870 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO B 942 94.923 -8.449 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO B 942 96.630 -8.991 -8.389 1.00 0.00 H new ATOM 0 HD3 PRO B 942 96.451 -10.090 -7.036 1.00 0.00 H new ATOM 1876 N GLU B 943 91.869 -10.228 -10.122 1.00 0.00 N ATOM 1877 CA GLU B 943 91.187 -9.696 -11.293 1.00 0.00 C ATOM 1878 C GLU B 943 90.429 -8.413 -10.914 1.00 0.00 C ATOM 1879 O GLU B 943 89.470 -8.470 -10.139 1.00 0.00 O ATOM 1880 CB GLU B 943 90.198 -10.723 -11.845 1.00 0.00 C ATOM 1881 CG GLU B 943 89.647 -10.233 -13.188 1.00 0.00 C ATOM 1882 CD GLU B 943 90.665 -10.502 -14.292 1.00 0.00 C ATOM 1883 OE1 GLU B 943 91.488 -9.634 -14.535 1.00 0.00 O ATOM 1884 OE2 GLU B 943 90.605 -11.568 -14.880 1.00 0.00 O ATOM 0 H GLU B 943 91.299 -10.830 -9.528 1.00 0.00 H new ATOM 0 HA GLU B 943 91.931 -9.471 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU B 943 90.691 -11.687 -11.972 1.00 0.00 H new ATOM 0 HB3 GLU B 943 89.382 -10.874 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU B 943 88.709 -10.740 -13.414 1.00 0.00 H new ATOM 0 HG3 GLU B 943 89.428 -9.167 -13.135 1.00 0.00 H new ATOM 1891 N PRO B 944 90.824 -7.259 -11.415 1.00 0.00 N ATOM 1892 CA PRO B 944 90.134 -5.977 -11.074 1.00 0.00 C ATOM 1893 C PRO B 944 88.783 -5.807 -11.785 1.00 0.00 C ATOM 1894 O PRO B 944 88.593 -6.301 -12.896 1.00 0.00 O ATOM 1895 CB PRO B 944 91.121 -4.900 -11.521 1.00 0.00 C ATOM 1896 CG PRO B 944 91.925 -5.524 -12.610 1.00 0.00 C ATOM 1897 CD PRO B 944 91.954 -7.030 -12.340 1.00 0.00 C ATOM 0 HA PRO B 944 89.888 -5.932 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO B 944 90.598 -4.013 -11.878 1.00 0.00 H new ATOM 0 HB3 PRO B 944 91.758 -4.584 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO B 944 91.482 -5.316 -13.584 1.00 0.00 H new ATOM 0 HG3 PRO B 944 92.936 -5.116 -12.625 1.00 0.00 H new ATOM 0 HD2 PRO B 944 91.836 -7.601 -13.261 1.00 0.00 H new ATOM 0 HD3 PRO B 944 92.901 -7.336 -11.894 1.00 0.00 H new ATOM 1905 N PRO B 945 87.853 -5.097 -11.177 1.00 0.00 N ATOM 1906 CA PRO B 945 86.511 -4.832 -11.777 1.00 0.00 C ATOM 1907 C PRO B 945 86.608 -3.899 -12.980 1.00 0.00 C ATOM 1908 O PRO B 945 87.703 -3.518 -13.393 1.00 0.00 O ATOM 1909 CB PRO B 945 85.709 -4.191 -10.642 1.00 0.00 C ATOM 1910 CG PRO B 945 86.730 -3.586 -9.742 1.00 0.00 C ATOM 1911 CD PRO B 945 87.967 -4.476 -9.844 1.00 0.00 C ATOM 0 HA PRO B 945 86.044 -5.741 -12.155 1.00 0.00 H new ATOM 0 HB2 PRO B 945 85.021 -3.436 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO B 945 85.109 -4.933 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO B 945 86.959 -2.564 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO B 945 86.366 -3.541 -8.715 1.00 0.00 H new ATOM 0 HD2 PRO B 945 88.885 -3.895 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO B 945 87.984 -5.227 -9.054 1.00 0.00 H new ATOM 1919 N GLU B 946 85.456 -3.546 -13.541 1.00 0.00 N ATOM 1920 CA GLU B 946 85.405 -2.673 -14.701 1.00 0.00 C ATOM 1921 C GLU B 946 84.649 -1.387 -14.373 1.00 0.00 C ATOM 1922 O GLU B 946 83.772 -1.385 -13.507 1.00 0.00 O ATOM 1923 CB GLU B 946 84.717 -3.400 -15.862 1.00 0.00 C ATOM 1924 CG GLU B 946 85.707 -4.365 -16.511 1.00 0.00 C ATOM 1925 CD GLU B 946 85.014 -5.166 -17.609 1.00 0.00 C ATOM 1926 OE1 GLU B 946 83.814 -5.008 -17.761 1.00 0.00 O ATOM 1927 OE2 GLU B 946 85.695 -5.922 -18.282 1.00 0.00 O ATOM 0 H GLU B 946 84.543 -3.854 -13.207 1.00 0.00 H new ATOM 0 HA GLU B 946 86.424 -2.412 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU B 946 83.845 -3.945 -15.500 1.00 0.00 H new ATOM 0 HB3 GLU B 946 84.359 -2.679 -16.597 1.00 0.00 H new ATOM 0 HG2 GLU B 946 86.547 -3.810 -16.930 1.00 0.00 H new ATOM 0 HG3 GLU B 946 86.115 -5.041 -15.759 1.00 0.00 H new ATOM 1934 N PRO B 947 84.965 -0.303 -15.037 1.00 0.00 N ATOM 1935 CA PRO B 947 84.289 1.005 -14.794 1.00 0.00 C ATOM 1936 C PRO B 947 82.785 0.943 -15.046 1.00 0.00 C ATOM 1937 O PRO B 947 82.347 0.515 -16.113 1.00 0.00 O ATOM 1938 CB PRO B 947 84.953 1.960 -15.797 1.00 0.00 C ATOM 1939 CG PRO B 947 85.649 1.096 -16.790 1.00 0.00 C ATOM 1940 CD PRO B 947 86.000 -0.197 -16.078 1.00 0.00 C ATOM 0 HA PRO B 947 84.395 1.318 -13.755 1.00 0.00 H new ATOM 0 HB2 PRO B 947 84.210 2.593 -16.283 1.00 0.00 H new ATOM 0 HB3 PRO B 947 85.658 2.623 -15.296 1.00 0.00 H new ATOM 0 HG2 PRO B 947 85.008 0.902 -17.650 1.00 0.00 H new ATOM 0 HG3 PRO B 947 86.547 1.586 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO B 947 85.976 -1.049 -16.757 1.00 0.00 H new ATOM 0 HD3 PRO B 947 87.001 -0.160 -15.648 1.00 0.00 H new ATOM 1948 N PHE B 948 81.994 1.403 -14.075 1.00 0.00 N ATOM 1949 CA PHE B 948 80.546 1.415 -14.249 1.00 0.00 C ATOM 1950 C PHE B 948 79.951 2.591 -13.488 1.00 0.00 C ATOM 1951 O PHE B 948 80.499 3.019 -12.483 1.00 0.00 O ATOM 1952 CB PHE B 948 79.927 0.110 -13.743 1.00 0.00 C ATOM 1953 CG PHE B 948 79.958 0.081 -12.232 1.00 0.00 C ATOM 1954 CD1 PHE B 948 78.917 0.677 -11.511 1.00 0.00 C ATOM 1955 CD2 PHE B 948 81.009 -0.551 -11.551 1.00 0.00 C ATOM 1956 CE1 PHE B 948 78.923 0.646 -10.114 1.00 0.00 C ATOM 1957 CE2 PHE B 948 81.013 -0.580 -10.151 1.00 0.00 C ATOM 1958 CZ PHE B 948 79.970 0.018 -9.433 1.00 0.00 C ATOM 0 H PHE B 948 82.324 1.764 -13.180 1.00 0.00 H new ATOM 0 HA PHE B 948 80.325 1.514 -15.312 1.00 0.00 H new ATOM 0 HB2 PHE B 948 78.900 0.023 -14.097 1.00 0.00 H new ATOM 0 HB3 PHE B 948 80.475 -0.743 -14.144 1.00 0.00 H new ATOM 0 HD1 PHE B 948 78.107 1.162 -12.036 1.00 0.00 H new ATOM 0 HD2 PHE B 948 81.813 -1.014 -12.105 1.00 0.00 H new ATOM 0 HE1 PHE B 948 78.119 1.107 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE B 948 81.822 -1.064 -9.624 1.00 0.00 H new ATOM 0 HZ PHE B 948 79.974 -0.006 -8.353 1.00 0.00 H new ATOM 1968 N GLU B 949 78.833 3.116 -13.967 1.00 0.00 N ATOM 1969 CA GLU B 949 78.204 4.253 -13.314 1.00 0.00 C ATOM 1970 C GLU B 949 77.278 3.791 -12.195 1.00 0.00 C ATOM 1971 O GLU B 949 76.372 2.988 -12.419 1.00 0.00 O ATOM 1972 CB GLU B 949 77.392 5.049 -14.335 1.00 0.00 C ATOM 1973 CG GLU B 949 78.280 5.417 -15.526 1.00 0.00 C ATOM 1974 CD GLU B 949 78.188 4.332 -16.597 1.00 0.00 C ATOM 1975 OE1 GLU B 949 77.774 3.232 -16.267 1.00 0.00 O ATOM 1976 OE2 GLU B 949 78.529 4.619 -17.733 1.00 0.00 O ATOM 0 H GLU B 949 78.347 2.777 -14.797 1.00 0.00 H new ATOM 0 HA GLU B 949 78.988 4.879 -12.889 1.00 0.00 H new ATOM 0 HB2 GLU B 949 76.539 4.461 -14.673 1.00 0.00 H new ATOM 0 HB3 GLU B 949 76.994 5.952 -13.873 1.00 0.00 H new ATOM 0 HG2 GLU B 949 77.969 6.376 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU B 949 79.314 5.531 -15.199 1.00 0.00 H new ATOM 1983 N TYR B 950 77.499 4.316 -10.996 1.00 0.00 N ATOM 1984 CA TYR B 950 76.665 3.965 -9.856 1.00 0.00 C ATOM 1985 C TYR B 950 75.466 4.887 -9.780 1.00 0.00 C ATOM 1986 O TYR B 950 75.591 6.071 -9.467 1.00 0.00 O ATOM 1987 CB TYR B 950 77.479 4.055 -8.568 1.00 0.00 C ATOM 1988 CG TYR B 950 76.547 4.224 -7.395 1.00 0.00 C ATOM 1989 CD1 TYR B 950 75.702 3.176 -7.015 1.00 0.00 C ATOM 1990 CD2 TYR B 950 76.539 5.427 -6.680 1.00 0.00 C ATOM 1991 CE1 TYR B 950 74.848 3.330 -5.921 1.00 0.00 C ATOM 1992 CE2 TYR B 950 75.683 5.583 -5.587 1.00 0.00 C ATOM 1993 CZ TYR B 950 74.837 4.535 -5.206 1.00 0.00 C ATOM 1994 OH TYR B 950 73.993 4.689 -4.126 1.00 0.00 O ATOM 0 H TYR B 950 78.244 4.982 -10.790 1.00 0.00 H new ATOM 0 HA TYR B 950 76.311 2.942 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR B 950 78.080 3.155 -8.442 1.00 0.00 H new ATOM 0 HB3 TYR B 950 78.171 4.896 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR B 950 75.710 2.248 -7.568 1.00 0.00 H new ATOM 0 HD2 TYR B 950 77.194 6.234 -6.973 1.00 0.00 H new ATOM 0 HE1 TYR B 950 74.196 2.521 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR B 950 75.674 6.512 -5.036 1.00 0.00 H new ATOM 0 HH TYR B 950 74.112 5.583 -3.743 1.00 0.00 H new ATOM 2004 N ILE B 951 74.300 4.328 -10.069 1.00 0.00 N ATOM 2005 CA ILE B 951 73.071 5.093 -10.038 1.00 0.00 C ATOM 2006 C ILE B 951 71.982 4.308 -9.320 1.00 0.00 C ATOM 2007 O ILE B 951 71.580 3.233 -9.766 1.00 0.00 O ATOM 2008 CB ILE B 951 72.623 5.404 -11.466 1.00 0.00 C ATOM 2009 CG1 ILE B 951 71.372 6.275 -11.413 1.00 0.00 C ATOM 2010 CG2 ILE B 951 72.313 4.107 -12.216 1.00 0.00 C ATOM 2011 CD1 ILE B 951 71.021 6.764 -12.820 1.00 0.00 C ATOM 0 H ILE B 951 74.183 3.348 -10.327 1.00 0.00 H new ATOM 0 HA ILE B 951 73.248 6.025 -9.501 1.00 0.00 H new ATOM 0 HB ILE B 951 73.422 5.929 -11.990 1.00 0.00 H new ATOM 0 HG12 ILE B 951 70.540 5.707 -10.997 1.00 0.00 H new ATOM 0 HG13 ILE B 951 71.538 7.126 -10.753 1.00 0.00 H new ATOM 0 HG21 ILE B 951 71.995 4.341 -13.232 1.00 0.00 H new ATOM 0 HG22 ILE B 951 73.207 3.484 -12.250 1.00 0.00 H new ATOM 0 HG23 ILE B 951 71.516 3.570 -11.701 1.00 0.00 H new ATOM 0 HD11 ILE B 951 70.127 7.386 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE B 951 71.850 7.348 -13.220 1.00 0.00 H new ATOM 0 HD13 ILE B 951 70.836 5.907 -13.467 1.00 0.00 H new ATOM 2023 N ASP B 952 71.511 4.848 -8.207 1.00 0.00 N ATOM 2024 CA ASP B 952 70.472 4.182 -7.440 1.00 0.00 C ATOM 2025 C ASP B 952 69.234 3.953 -8.297 1.00 0.00 C ATOM 2026 O ASP B 952 68.266 4.711 -8.228 1.00 0.00 O ATOM 2027 CB ASP B 952 70.103 5.032 -6.227 1.00 0.00 C ATOM 2028 CG ASP B 952 69.617 6.403 -6.683 1.00 0.00 C ATOM 2029 OD1 ASP B 952 69.616 6.641 -7.880 1.00 0.00 O ATOM 2030 OD2 ASP B 952 69.251 7.194 -5.830 1.00 0.00 O ATOM 0 H ASP B 952 71.828 5.736 -7.818 1.00 0.00 H new ATOM 0 HA ASP B 952 70.852 3.215 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP B 952 69.325 4.535 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP B 952 70.968 5.142 -5.573 1.00 0.00 H new ATOM 2035 N ASP B 953 69.276 2.897 -9.099 1.00 0.00 N ATOM 2036 CA ASP B 953 68.148 2.565 -9.968 1.00 0.00 C ATOM 2037 C ASP B 953 67.229 1.549 -9.294 1.00 0.00 C ATOM 2038 O ASP B 953 67.446 1.264 -8.128 1.00 0.00 O ATOM 2039 CB ASP B 953 68.654 1.993 -11.293 1.00 0.00 C ATOM 2040 CG ASP B 953 69.426 0.702 -11.044 1.00 0.00 C ATOM 2041 OD1 ASP B 953 69.507 0.296 -9.897 1.00 0.00 O ATOM 2042 OD2 ASP B 953 69.924 0.140 -12.005 1.00 0.00 O ATOM 2043 OXT ASP B 953 66.322 1.072 -9.957 1.00 0.00 O ATOM 0 H ASP B 953 70.069 2.260 -9.168 1.00 0.00 H new ATOM 0 HA ASP B 953 67.585 3.479 -10.159 1.00 0.00 H new ATOM 0 HB2 ASP B 953 67.814 1.801 -11.960 1.00 0.00 H new ATOM 0 HB3 ASP B 953 69.296 2.720 -11.791 1.00 0.00 H new