USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ -119:sc= -0.205 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.866 K(o=-1.1,f=-8.2!) USER MOD Set 2.1: A 59 MET CE :methyl -117:sc= -9.54! (180deg=-9.51!) USER MOD Set 2.2: A 88 MET CE :methyl 175:sc= -14.1! (180deg=-9.43!) USER MOD Set 2.3: B 72 THR OG1 : rot 94:sc= -0.779! USER MOD Set 3.1: A 55 SER OG : rot 122:sc= -1.64 USER MOD Set 3.2: A 57 LYS NZ :NH3+ -167:sc= 0.931 (180deg=0) USER MOD Set 4.1: A 51 THR OG1 : rot 110:sc= -2.12! USER MOD Set 4.2: A 97 MET CE :methyl -107:sc= -12.2! (180deg=-20.1!) USER MOD Set 5.1: A 28 THR OG1 : rot -150:sc= -5.25! USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 3 HIS : no HD1:sc= -5.65! C(o=-5.6!,f=-4.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 19 ASN : amide:sc= 0.0377 K(o=0.038,f=-3.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 11:sc= -1.46 USER MOD Single : A 32 THR OG1 : rot 140:sc= -0.338 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.62 (180deg=-3.05!) USER MOD Single : A 38 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.37) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 44 THR OG1 : rot 42:sc= -0.15 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.38 K(o=-2.4,f=-1.3) USER MOD Single : A 54 SER OG : rot 180:sc= -0.624 USER MOD Single : A 58 MET CE :methyl -178:sc= -0.667 (180deg=-0.689) USER MOD Single : A 87 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.0032) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.6) USER MOD Single : A 93 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 99 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.4!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.29) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -100:sc= 1.44 USER MOD Single : A 112 LYS NZ :NH3+ -164:sc= 0.0404 (180deg=0.0118) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.039 -14.332 2.477 1.00 0.00 N ATOM 29 CA HIS A 3 1.472 -13.426 1.418 1.00 0.00 C ATOM 30 C HIS A 3 0.440 -13.361 0.307 1.00 0.00 C ATOM 31 O HIS A 3 0.146 -12.290 -0.223 1.00 0.00 O ATOM 32 CB HIS A 3 2.821 -13.873 0.855 1.00 0.00 C ATOM 33 CG HIS A 3 3.862 -14.106 1.905 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.874 -15.219 2.720 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.934 -13.363 2.273 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.905 -15.150 3.542 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.564 -14.035 3.291 1.00 0.00 N ATOM 0 HA HIS A 3 1.580 -12.430 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.681 -14.791 0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.183 -13.117 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.236 -12.419 1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.165 -15.882 4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.406 -13.723 3.775 1.00 0.00 H new ATOM 46 N SER A 4 -0.113 -14.511 -0.035 1.00 0.00 N ATOM 47 CA SER A 4 -1.123 -14.580 -1.080 1.00 0.00 C ATOM 48 C SER A 4 -2.502 -14.298 -0.508 1.00 0.00 C ATOM 49 O SER A 4 -2.892 -14.850 0.521 1.00 0.00 O ATOM 50 CB SER A 4 -1.115 -15.941 -1.775 1.00 0.00 C ATOM 51 OG SER A 4 0.208 -16.401 -1.988 1.00 0.00 O ATOM 0 H SER A 4 0.118 -15.408 0.393 1.00 0.00 H new ATOM 0 HA SER A 4 -0.882 -13.818 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.661 -16.664 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.635 -15.867 -2.730 1.00 0.00 H new ATOM 0 HG SER A 4 0.183 -17.274 -2.432 1.00 0.00 H new ATOM 57 N GLY A 5 -3.227 -13.429 -1.187 1.00 0.00 N ATOM 58 CA GLY A 5 -4.557 -13.059 -0.760 1.00 0.00 C ATOM 59 C GLY A 5 -5.324 -12.411 -1.885 1.00 0.00 C ATOM 60 O GLY A 5 -4.805 -12.278 -2.990 1.00 0.00 O ATOM 0 H GLY A 5 -2.913 -12.966 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.091 -13.944 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.494 -12.373 0.085 1.00 0.00 H new ATOM 64 N ALA A 6 -6.556 -12.009 -1.623 1.00 0.00 N ATOM 65 CA ALA A 6 -7.363 -11.374 -2.651 1.00 0.00 C ATOM 66 C ALA A 6 -7.488 -9.878 -2.405 1.00 0.00 C ATOM 67 O ALA A 6 -7.597 -9.431 -1.267 1.00 0.00 O ATOM 68 CB ALA A 6 -8.734 -12.025 -2.731 1.00 0.00 C ATOM 0 H ALA A 6 -7.015 -12.109 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.860 -11.512 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.324 -11.536 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.621 -13.082 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.241 -11.924 -1.771 1.00 0.00 H new ATOM 74 N ALA A 7 -7.465 -9.113 -3.487 1.00 0.00 N ATOM 75 CA ALA A 7 -7.570 -7.663 -3.411 1.00 0.00 C ATOM 76 C ALA A 7 -8.164 -7.111 -4.697 1.00 0.00 C ATOM 77 O ALA A 7 -8.077 -7.748 -5.746 1.00 0.00 O ATOM 78 CB ALA A 7 -6.203 -7.049 -3.145 1.00 0.00 C ATOM 0 H ALA A 7 -7.374 -9.476 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.232 -7.401 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.296 -5.964 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.812 -7.428 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.521 -7.315 -3.953 1.00 0.00 H new ATOM 84 N ILE A 8 -8.776 -5.936 -4.624 1.00 0.00 N ATOM 85 CA ILE A 8 -9.376 -5.342 -5.807 1.00 0.00 C ATOM 86 C ILE A 8 -8.897 -3.914 -6.038 1.00 0.00 C ATOM 87 O ILE A 8 -8.692 -3.148 -5.096 1.00 0.00 O ATOM 88 CB ILE A 8 -10.912 -5.354 -5.731 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.423 -6.787 -5.646 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.498 -4.660 -6.949 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.684 -6.931 -4.824 1.00 0.00 C ATOM 0 H ILE A 8 -8.868 -5.384 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.055 -5.957 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.225 -4.818 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.612 -7.157 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.644 -7.417 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.586 -4.673 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.149 -3.628 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.180 -5.180 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.990 -7.977 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.495 -6.592 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.477 -6.328 -5.266 1.00 0.00 H new ATOM 103 N PHE A 9 -8.736 -3.572 -7.310 1.00 0.00 N ATOM 104 CA PHE A 9 -8.296 -2.241 -7.705 1.00 0.00 C ATOM 105 C PHE A 9 -9.056 -1.783 -8.946 1.00 0.00 C ATOM 106 O PHE A 9 -9.357 -2.586 -9.825 1.00 0.00 O ATOM 107 CB PHE A 9 -6.791 -2.234 -7.973 1.00 0.00 C ATOM 108 CG PHE A 9 -6.200 -0.855 -8.013 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.562 0.036 -9.008 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.285 -0.449 -7.055 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.024 1.308 -9.050 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.742 0.822 -7.091 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.113 1.701 -8.090 1.00 0.00 C ATOM 0 H PHE A 9 -8.906 -4.205 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.505 -1.549 -6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.289 -2.814 -7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.596 -2.733 -8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.274 -0.267 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.993 -1.133 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.316 1.993 -9.832 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.029 1.127 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.691 2.695 -8.120 1.00 0.00 H new ATOM 123 N GLU A 10 -9.356 -0.488 -9.012 1.00 0.00 N ATOM 124 CA GLU A 10 -10.081 0.095 -10.141 1.00 0.00 C ATOM 125 C GLU A 10 -11.226 -0.808 -10.594 1.00 0.00 C ATOM 126 O GLU A 10 -11.418 -1.035 -11.789 1.00 0.00 O ATOM 127 CB GLU A 10 -9.132 0.350 -11.306 1.00 0.00 C ATOM 128 CG GLU A 10 -8.479 -0.915 -11.809 1.00 0.00 C ATOM 129 CD GLU A 10 -7.512 -0.666 -12.950 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.877 0.409 -12.966 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.390 -1.546 -13.828 1.00 0.00 O ATOM 0 H GLU A 10 -9.105 0.185 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.505 1.042 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.682 0.820 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.360 1.054 -10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.948 -1.395 -10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.251 -1.610 -12.139 1.00 0.00 H new ATOM 138 N LYS A 11 -11.986 -1.316 -9.629 1.00 0.00 N ATOM 139 CA LYS A 11 -13.120 -2.191 -9.918 1.00 0.00 C ATOM 140 C LYS A 11 -12.675 -3.476 -10.614 1.00 0.00 C ATOM 141 O LYS A 11 -13.490 -4.179 -11.212 1.00 0.00 O ATOM 142 CB LYS A 11 -14.167 -1.470 -10.783 1.00 0.00 C ATOM 143 CG LYS A 11 -13.962 0.034 -10.890 1.00 0.00 C ATOM 144 CD LYS A 11 -15.249 0.748 -11.269 1.00 0.00 C ATOM 145 CE LYS A 11 -14.969 2.063 -11.978 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.046 3.223 -11.048 1.00 0.00 N ATOM 0 H LYS A 11 -11.837 -1.137 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.571 -2.455 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.151 -1.899 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.157 -1.662 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.597 0.421 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.195 0.245 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.846 0.105 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.840 0.936 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.979 2.027 -12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.686 2.199 -12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.849 4.100 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.999 3.273 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.344 3.107 -10.289 1.00 0.00 H new ATOM 160 N VAL A 12 -11.386 -3.789 -10.524 1.00 0.00 N ATOM 161 CA VAL A 12 -10.853 -5.000 -11.135 1.00 0.00 C ATOM 162 C VAL A 12 -10.308 -5.926 -10.061 1.00 0.00 C ATOM 163 O VAL A 12 -9.397 -5.558 -9.320 1.00 0.00 O ATOM 164 CB VAL A 12 -9.736 -4.685 -12.150 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.272 -5.956 -12.848 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.212 -3.655 -13.163 1.00 0.00 C ATOM 0 H VAL A 12 -10.693 -3.222 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.671 -5.485 -11.668 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.887 -4.266 -11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.484 -5.713 -13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.888 -6.658 -12.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.111 -6.408 -13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.411 -3.445 -13.872 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.078 -4.045 -13.699 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.489 -2.737 -12.645 1.00 0.00 H new ATOM 176 N SER A 13 -10.880 -7.120 -9.961 1.00 0.00 N ATOM 177 CA SER A 13 -10.450 -8.075 -8.951 1.00 0.00 C ATOM 178 C SER A 13 -9.261 -8.901 -9.419 1.00 0.00 C ATOM 179 O SER A 13 -9.019 -9.060 -10.615 1.00 0.00 O ATOM 180 CB SER A 13 -11.603 -8.994 -8.547 1.00 0.00 C ATOM 181 OG SER A 13 -12.813 -8.610 -9.178 1.00 0.00 O ATOM 0 H SER A 13 -11.636 -7.447 -10.562 1.00 0.00 H new ATOM 0 HA SER A 13 -10.134 -7.500 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.362 -10.023 -8.814 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.730 -8.967 -7.465 1.00 0.00 H new ATOM 0 HG SER A 13 -13.532 -9.216 -8.903 1.00 0.00 H new ATOM 187 N GLY A 14 -8.516 -9.404 -8.444 1.00 0.00 N ATOM 188 CA GLY A 14 -7.336 -10.196 -8.717 1.00 0.00 C ATOM 189 C GLY A 14 -6.755 -10.769 -7.443 1.00 0.00 C ATOM 190 O GLY A 14 -7.305 -10.563 -6.361 1.00 0.00 O ATOM 0 H GLY A 14 -8.714 -9.273 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.589 -11.006 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.588 -9.579 -9.216 1.00 0.00 H new ATOM 194 N ILE A 15 -5.644 -11.483 -7.556 1.00 0.00 N ATOM 195 CA ILE A 15 -5.011 -12.068 -6.384 1.00 0.00 C ATOM 196 C ILE A 15 -3.733 -11.314 -6.058 1.00 0.00 C ATOM 197 O ILE A 15 -2.946 -10.983 -6.943 1.00 0.00 O ATOM 198 CB ILE A 15 -4.679 -13.564 -6.579 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.763 -14.252 -7.411 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.526 -14.254 -5.227 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.462 -14.279 -8.894 1.00 0.00 C ATOM 0 H ILE A 15 -5.167 -11.670 -8.438 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.723 -11.988 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.734 -13.640 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.888 -15.275 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.712 -13.740 -7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.292 -15.308 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.720 -13.781 -4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.457 -14.167 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.273 -14.782 -9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.366 -13.258 -9.264 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.530 -14.816 -9.066 1.00 0.00 H new ATOM 213 N ILE A 16 -3.553 -11.026 -4.778 1.00 0.00 N ATOM 214 CA ILE A 16 -2.397 -10.282 -4.310 1.00 0.00 C ATOM 215 C ILE A 16 -1.406 -11.216 -3.613 1.00 0.00 C ATOM 216 O ILE A 16 -1.796 -12.026 -2.775 1.00 0.00 O ATOM 217 CB ILE A 16 -2.844 -9.172 -3.338 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.652 -8.348 -2.858 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.603 -9.766 -2.161 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.014 -6.910 -2.563 1.00 0.00 C ATOM 0 H ILE A 16 -4.201 -11.300 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.904 -9.829 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.515 -8.502 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.238 -8.805 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.870 -8.373 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.910 -8.967 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.485 -10.293 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.958 -10.464 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.127 -6.373 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.401 -6.439 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.775 -6.879 -1.783 1.00 0.00 H new ATOM 232 N ALA A 17 -0.129 -11.126 -3.982 1.00 0.00 N ATOM 233 CA ALA A 17 0.887 -12.000 -3.396 1.00 0.00 C ATOM 234 C ALA A 17 2.236 -11.306 -3.229 1.00 0.00 C ATOM 235 O ALA A 17 2.681 -10.570 -4.108 1.00 0.00 O ATOM 236 CB ALA A 17 1.059 -13.233 -4.266 1.00 0.00 C ATOM 0 H ALA A 17 0.224 -10.466 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 17 0.539 -12.277 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.816 -13.884 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.112 -13.769 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.372 -12.932 -5.266 1.00 0.00 H new ATOM 242 N ILE A 18 2.895 -11.576 -2.101 1.00 0.00 N ATOM 243 CA ILE A 18 4.209 -11.005 -1.819 1.00 0.00 C ATOM 244 C ILE A 18 5.318 -11.954 -2.262 1.00 0.00 C ATOM 245 O ILE A 18 5.183 -13.174 -2.168 1.00 0.00 O ATOM 246 CB ILE A 18 4.391 -10.691 -0.322 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.228 -9.843 0.189 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.714 -9.978 -0.086 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.883 -10.114 1.634 1.00 0.00 C ATOM 0 H ILE A 18 2.538 -12.188 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 18 4.272 -10.073 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 18 4.402 -11.631 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.478 -8.788 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.350 -10.032 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.827 -9.763 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.535 -10.615 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.730 -9.044 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.049 -9.479 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.603 -11.161 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.748 -9.898 2.261 1.00 0.00 H new ATOM 261 N ASN A 19 6.410 -11.381 -2.747 1.00 0.00 N ATOM 262 CA ASN A 19 7.551 -12.160 -3.215 1.00 0.00 C ATOM 263 C ASN A 19 8.822 -11.755 -2.488 1.00 0.00 C ATOM 264 O ASN A 19 9.340 -10.655 -2.685 1.00 0.00 O ATOM 265 CB ASN A 19 7.735 -11.976 -4.722 1.00 0.00 C ATOM 266 CG ASN A 19 8.262 -13.227 -5.397 1.00 0.00 C ATOM 267 OD1 ASN A 19 9.286 -13.779 -4.994 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.564 -13.681 -6.432 1.00 0.00 N ATOM 0 H ASN A 19 6.532 -10.371 -2.828 1.00 0.00 H new ATOM 0 HA ASN A 19 7.352 -13.210 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.781 -11.699 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.424 -11.151 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.871 -14.519 -6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.721 -13.192 -6.732 1.00 0.00 H new ATOM 275 N GLU A 20 9.328 -12.662 -1.661 1.00 0.00 N ATOM 276 CA GLU A 20 10.552 -12.418 -0.915 1.00 0.00 C ATOM 277 C GLU A 20 11.679 -13.267 -1.479 1.00 0.00 C ATOM 278 O GLU A 20 12.614 -13.643 -0.771 1.00 0.00 O ATOM 279 CB GLU A 20 10.351 -12.720 0.571 1.00 0.00 C ATOM 280 CG GLU A 20 11.140 -11.802 1.491 1.00 0.00 C ATOM 281 CD GLU A 20 11.497 -12.463 2.807 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.829 -13.452 3.176 1.00 0.00 O ATOM 283 OE2 GLU A 20 12.446 -11.992 3.470 1.00 0.00 O ATOM 0 H GLU A 20 8.907 -13.575 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 20 10.816 -11.365 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.291 -12.636 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.641 -13.752 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.054 -11.487 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.557 -10.902 1.687 1.00 0.00 H new ATOM 290 N ASP A 21 11.575 -13.556 -2.768 1.00 0.00 N ATOM 291 CA ASP A 21 12.575 -14.356 -3.463 1.00 0.00 C ATOM 292 C ASP A 21 13.511 -13.463 -4.270 1.00 0.00 C ATOM 293 O ASP A 21 14.655 -13.827 -4.538 1.00 0.00 O ATOM 294 CB ASP A 21 11.897 -15.371 -4.385 1.00 0.00 C ATOM 295 CG ASP A 21 12.648 -16.687 -4.448 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.843 -16.672 -4.811 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.041 -17.732 -4.133 1.00 0.00 O ATOM 0 H ASP A 21 10.803 -13.246 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 21 13.162 -14.892 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.880 -15.552 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.820 -14.952 -5.388 1.00 0.00 H new ATOM 302 N VAL A 22 13.018 -12.286 -4.647 1.00 0.00 N ATOM 303 CA VAL A 22 13.818 -11.337 -5.418 1.00 0.00 C ATOM 304 C VAL A 22 14.436 -10.287 -4.500 1.00 0.00 C ATOM 305 O VAL A 22 14.057 -10.173 -3.334 1.00 0.00 O ATOM 306 CB VAL A 22 12.992 -10.626 -6.518 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.372 -11.150 -7.894 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.495 -10.782 -6.281 1.00 0.00 C ATOM 0 H VAL A 22 12.073 -11.967 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 22 14.603 -11.916 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 22 13.226 -9.562 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.781 -10.639 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.431 -10.966 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.176 -12.221 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.946 -10.271 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.234 -11.840 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.232 -10.347 -5.317 1.00 0.00 H new ATOM 318 N SER A 23 15.390 -9.519 -5.025 1.00 0.00 N ATOM 319 CA SER A 23 16.051 -8.482 -4.236 1.00 0.00 C ATOM 320 C SER A 23 15.019 -7.611 -3.521 1.00 0.00 C ATOM 321 O SER A 23 14.901 -7.664 -2.297 1.00 0.00 O ATOM 322 CB SER A 23 16.956 -7.624 -5.118 1.00 0.00 C ATOM 323 OG SER A 23 18.303 -8.058 -5.043 1.00 0.00 O ATOM 0 H SER A 23 15.720 -9.595 -5.987 1.00 0.00 H new ATOM 0 HA SER A 23 16.671 -8.971 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.613 -7.671 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.889 -6.581 -4.807 1.00 0.00 H new ATOM 0 HG SER A 23 18.861 -7.494 -5.618 1.00 0.00 H new ATOM 329 N PRO A 24 14.234 -6.811 -4.270 1.00 0.00 N ATOM 330 CA PRO A 24 13.205 -5.965 -3.681 1.00 0.00 C ATOM 331 C PRO A 24 11.950 -6.762 -3.377 1.00 0.00 C ATOM 332 O PRO A 24 11.039 -6.833 -4.201 1.00 0.00 O ATOM 333 CB PRO A 24 12.922 -4.944 -4.773 1.00 0.00 C ATOM 334 CG PRO A 24 13.171 -5.688 -6.041 1.00 0.00 C ATOM 335 CD PRO A 24 14.265 -6.684 -5.742 1.00 0.00 C ATOM 0 HA PRO A 24 13.519 -5.520 -2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.897 -4.578 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.575 -4.076 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.267 -6.194 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.472 -5.008 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.079 -7.641 -6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.235 -6.330 -6.093 1.00 0.00 H new ATOM 343 N ALA A 25 11.909 -7.366 -2.195 1.00 0.00 N ATOM 344 CA ALA A 25 10.757 -8.166 -1.786 1.00 0.00 C ATOM 345 C ALA A 25 9.481 -7.411 -2.086 1.00 0.00 C ATOM 346 O ALA A 25 9.059 -6.558 -1.314 1.00 0.00 O ATOM 347 CB ALA A 25 10.829 -8.521 -0.316 1.00 0.00 C ATOM 0 H ALA A 25 12.657 -7.318 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 25 10.766 -9.098 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.958 -9.116 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.736 -9.095 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.846 -7.608 0.279 1.00 0.00 H new ATOM 353 N GLU A 26 8.908 -7.709 -3.235 1.00 0.00 N ATOM 354 CA GLU A 26 7.705 -7.035 -3.701 1.00 0.00 C ATOM 355 C GLU A 26 6.533 -7.991 -3.862 1.00 0.00 C ATOM 356 O GLU A 26 6.695 -9.204 -3.780 1.00 0.00 O ATOM 357 CB GLU A 26 7.999 -6.327 -5.017 1.00 0.00 C ATOM 358 CG GLU A 26 8.709 -7.205 -6.035 1.00 0.00 C ATOM 359 CD GLU A 26 8.145 -7.049 -7.433 1.00 0.00 C ATOM 360 OE1 GLU A 26 8.478 -6.047 -8.100 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.370 -7.930 -7.862 1.00 0.00 O ATOM 0 H GLU A 26 9.259 -8.423 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 26 7.415 -6.306 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.062 -5.972 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.612 -5.448 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.770 -6.957 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.628 -8.248 -5.729 1.00 0.00 H new ATOM 368 N LEU A 27 5.349 -7.429 -4.094 1.00 0.00 N ATOM 369 CA LEU A 27 4.148 -8.213 -4.263 1.00 0.00 C ATOM 370 C LEU A 27 3.449 -7.809 -5.543 1.00 0.00 C ATOM 371 O LEU A 27 3.433 -6.631 -5.900 1.00 0.00 O ATOM 372 CB LEU A 27 3.209 -8.011 -3.068 1.00 0.00 C ATOM 373 CG LEU A 27 2.646 -6.596 -2.914 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.462 -6.384 -3.848 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.239 -6.342 -1.470 1.00 0.00 C ATOM 0 H LEU A 27 5.205 -6.422 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 27 4.420 -9.267 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.376 -8.708 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.746 -8.273 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 27 3.426 -5.884 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.077 -5.372 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.783 -6.525 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.678 -7.103 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.841 -5.332 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.475 -7.062 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.109 -6.450 -0.822 1.00 0.00 H new ATOM 387 N THR A 28 2.866 -8.774 -6.237 1.00 0.00 N ATOM 388 CA THR A 28 2.170 -8.466 -7.471 1.00 0.00 C ATOM 389 C THR A 28 0.726 -8.910 -7.405 1.00 0.00 C ATOM 390 O THR A 28 0.375 -9.871 -6.720 1.00 0.00 O ATOM 391 CB THR A 28 2.878 -9.074 -8.677 1.00 0.00 C ATOM 392 OG1 THR A 28 4.166 -8.513 -8.836 1.00 0.00 O ATOM 393 CG2 THR A 28 2.126 -8.885 -9.978 1.00 0.00 C ATOM 0 H THR A 28 2.861 -9.759 -5.971 1.00 0.00 H new ATOM 0 HA THR A 28 2.183 -7.383 -7.595 1.00 0.00 H new ATOM 0 HB THR A 28 2.936 -10.142 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.409 -8.515 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.688 -9.342 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.146 -9.356 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.002 -7.820 -10.175 1.00 0.00 H new ATOM 401 N TRP A 29 -0.107 -8.162 -8.098 1.00 0.00 N ATOM 402 CA TRP A 29 -1.536 -8.409 -8.116 1.00 0.00 C ATOM 403 C TRP A 29 -2.027 -8.802 -9.506 1.00 0.00 C ATOM 404 O TRP A 29 -2.075 -7.976 -10.410 1.00 0.00 O ATOM 405 CB TRP A 29 -2.239 -7.142 -7.648 1.00 0.00 C ATOM 406 CG TRP A 29 -3.719 -7.256 -7.593 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.463 -7.708 -6.547 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.641 -6.892 -8.621 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.795 -7.645 -6.857 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.932 -7.150 -8.126 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.503 -6.373 -9.914 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.078 -6.906 -8.871 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.648 -6.133 -10.654 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.919 -6.398 -10.130 1.00 0.00 C ATOM 0 H TRP A 29 0.186 -7.366 -8.665 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.762 -9.244 -7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.868 -6.878 -6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.973 -6.323 -8.316 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.062 -8.064 -5.610 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.561 -7.922 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.526 -6.165 -10.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.060 -7.110 -8.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.559 -5.734 -11.654 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.792 -6.197 -10.733 1.00 0.00 H new ATOM 425 N ARG A 30 -2.401 -10.067 -9.667 1.00 0.00 N ATOM 426 CA ARG A 30 -2.894 -10.557 -10.950 1.00 0.00 C ATOM 427 C ARG A 30 -4.416 -10.675 -10.940 1.00 0.00 C ATOM 428 O ARG A 30 -4.990 -11.337 -10.075 1.00 0.00 O ATOM 429 CB ARG A 30 -2.268 -11.914 -11.276 1.00 0.00 C ATOM 430 CG ARG A 30 -2.253 -12.235 -12.762 1.00 0.00 C ATOM 431 CD ARG A 30 -1.833 -13.674 -13.016 1.00 0.00 C ATOM 432 NE ARG A 30 -1.005 -13.798 -14.213 1.00 0.00 N ATOM 433 CZ ARG A 30 0.258 -13.385 -14.287 1.00 0.00 C ATOM 434 NH1 ARG A 30 0.842 -12.821 -13.237 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.940 -13.537 -15.414 1.00 0.00 N ATOM 0 H ARG A 30 -2.373 -10.770 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.609 -9.839 -11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.246 -11.934 -10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.818 -12.694 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.244 -12.064 -13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.569 -11.559 -13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.282 -14.049 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.721 -14.298 -13.123 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.419 -14.226 -15.041 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.323 -12.702 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.810 -12.506 -13.300 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.497 -13.970 -16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.908 -13.221 -15.471 1.00 0.00 H new ATOM 449 N SER A 31 -5.066 -10.030 -11.907 1.00 0.00 N ATOM 450 CA SER A 31 -6.522 -10.066 -12.006 1.00 0.00 C ATOM 451 C SER A 31 -7.037 -11.503 -11.997 1.00 0.00 C ATOM 452 O SER A 31 -6.354 -12.420 -12.453 1.00 0.00 O ATOM 453 CB SER A 31 -6.985 -9.355 -13.279 1.00 0.00 C ATOM 454 OG SER A 31 -7.249 -7.985 -13.032 1.00 0.00 O ATOM 0 H SER A 31 -4.608 -9.477 -12.631 1.00 0.00 H new ATOM 0 HA SER A 31 -6.931 -9.549 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.220 -9.448 -14.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.884 -9.838 -13.663 1.00 0.00 H new ATOM 0 HG SER A 31 -6.921 -7.744 -12.140 1.00 0.00 H new ATOM 460 N THR A 32 -8.245 -11.692 -11.473 1.00 0.00 N ATOM 461 CA THR A 32 -8.847 -13.019 -11.405 1.00 0.00 C ATOM 462 C THR A 32 -9.181 -13.532 -12.799 1.00 0.00 C ATOM 463 O THR A 32 -9.122 -14.733 -13.064 1.00 0.00 O ATOM 464 CB THR A 32 -10.108 -12.994 -10.536 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.471 -11.663 -10.210 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.955 -13.760 -9.239 1.00 0.00 C ATOM 0 H THR A 32 -8.824 -10.945 -11.090 1.00 0.00 H new ATOM 0 HA THR A 32 -8.123 -13.696 -10.951 1.00 0.00 H new ATOM 0 HB THR A 32 -10.880 -13.475 -11.136 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.445 -11.569 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.883 -13.703 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.727 -14.803 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.144 -13.326 -8.654 1.00 0.00 H new ATOM 505 N LYS A 36 -5.187 -8.474 -16.416 1.00 0.00 N ATOM 506 CA LYS A 36 -4.309 -7.443 -15.876 1.00 0.00 C ATOM 507 C LYS A 36 -3.529 -7.954 -14.670 1.00 0.00 C ATOM 508 O LYS A 36 -3.992 -8.822 -13.931 1.00 0.00 O ATOM 509 CB LYS A 36 -5.118 -6.191 -15.511 1.00 0.00 C ATOM 510 CG LYS A 36 -5.071 -5.804 -14.039 1.00 0.00 C ATOM 511 CD LYS A 36 -5.773 -4.478 -13.789 1.00 0.00 C ATOM 512 CE LYS A 36 -4.990 -3.605 -12.821 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.877 -2.962 -11.812 1.00 0.00 N ATOM 0 HA LYS A 36 -3.586 -7.178 -16.647 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.751 -5.353 -16.104 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.158 -6.352 -15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.542 -6.585 -13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.033 -5.735 -13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.902 -3.950 -14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.770 -4.663 -13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.240 -4.210 -12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.455 -2.835 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.555 -1.989 -11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.854 -2.944 -12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.843 -3.503 -10.925 1.00 0.00 H new ATOM 527 N VAL A 37 -2.342 -7.395 -14.485 1.00 0.00 N ATOM 528 CA VAL A 37 -1.474 -7.766 -13.376 1.00 0.00 C ATOM 529 C VAL A 37 -0.675 -6.559 -12.892 1.00 0.00 C ATOM 530 O VAL A 37 0.060 -5.945 -13.667 1.00 0.00 O ATOM 531 CB VAL A 37 -0.507 -8.898 -13.778 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.276 -8.514 -15.023 1.00 0.00 C ATOM 533 CG2 VAL A 37 0.432 -9.244 -12.631 1.00 0.00 C ATOM 0 H VAL A 37 -1.955 -6.675 -15.095 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.111 -8.124 -12.567 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.097 -9.786 -14.006 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.953 -9.325 -15.292 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.415 -8.331 -15.846 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.853 -7.610 -14.826 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.104 -10.045 -12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.016 -8.364 -12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.151 -9.571 -11.770 1.00 0.00 H new ATOM 543 N HIS A 38 -0.815 -6.216 -11.615 1.00 0.00 N ATOM 544 CA HIS A 38 -0.093 -5.079 -11.060 1.00 0.00 C ATOM 545 C HIS A 38 0.944 -5.524 -10.032 1.00 0.00 C ATOM 546 O HIS A 38 0.607 -5.939 -8.926 1.00 0.00 O ATOM 547 CB HIS A 38 -1.073 -4.096 -10.416 1.00 0.00 C ATOM 548 CG HIS A 38 -0.450 -2.785 -10.049 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.665 -2.163 -8.837 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.386 -1.976 -10.742 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.011 -1.029 -8.800 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.657 -0.892 -9.943 1.00 0.00 N ATOM 0 H HIS A 38 -1.416 -6.705 -10.951 1.00 0.00 H new ATOM 0 HA HIS A 38 0.431 -4.586 -11.879 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.900 -3.917 -11.104 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.496 -4.551 -9.521 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.768 -2.150 -11.737 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.032 -0.332 -7.975 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.260 -0.108 -10.193 1.00 0.00 H new ATOM 561 N THR A 39 2.207 -5.399 -10.409 1.00 0.00 N ATOM 562 CA THR A 39 3.331 -5.754 -9.539 1.00 0.00 C ATOM 563 C THR A 39 3.788 -4.518 -8.768 1.00 0.00 C ATOM 564 O THR A 39 4.400 -3.616 -9.340 1.00 0.00 O ATOM 565 CB THR A 39 4.496 -6.275 -10.389 1.00 0.00 C ATOM 566 OG1 THR A 39 4.146 -7.479 -11.047 1.00 0.00 O ATOM 567 CG2 THR A 39 5.760 -6.535 -9.594 1.00 0.00 C ATOM 0 H THR A 39 2.488 -5.049 -11.325 1.00 0.00 H new ATOM 0 HA THR A 39 3.014 -6.528 -8.840 1.00 0.00 H new ATOM 0 HB THR A 39 4.698 -5.479 -11.106 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.904 -7.791 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.540 -6.901 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.090 -5.609 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.559 -7.282 -8.826 1.00 0.00 H new ATOM 575 N VAL A 40 3.497 -4.474 -7.475 1.00 0.00 N ATOM 576 CA VAL A 40 3.893 -3.338 -6.653 1.00 0.00 C ATOM 577 C VAL A 40 5.201 -3.630 -5.934 1.00 0.00 C ATOM 578 O VAL A 40 5.248 -4.474 -5.039 1.00 0.00 O ATOM 579 CB VAL A 40 2.813 -2.983 -5.613 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.202 -1.727 -4.844 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.459 -2.810 -6.286 1.00 0.00 C ATOM 0 H VAL A 40 2.992 -5.206 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 40 4.022 -2.488 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 40 2.736 -3.805 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.427 -1.492 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.147 -1.894 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.310 -0.894 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.709 -2.560 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.518 -2.008 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.179 -3.738 -6.783 1.00 0.00 H new ATOM 591 N VAL A 41 6.268 -2.938 -6.326 1.00 0.00 N ATOM 592 CA VAL A 41 7.561 -3.156 -5.699 1.00 0.00 C ATOM 593 C VAL A 41 7.599 -2.583 -4.294 1.00 0.00 C ATOM 594 O VAL A 41 7.743 -1.376 -4.101 1.00 0.00 O ATOM 595 CB VAL A 41 8.732 -2.577 -6.511 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.063 -3.056 -5.930 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.609 -2.965 -7.977 1.00 0.00 C ATOM 0 H VAL A 41 6.261 -2.233 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 41 7.685 -4.238 -5.659 1.00 0.00 H new ATOM 0 HB VAL A 41 8.700 -1.489 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.885 -2.640 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.148 -2.725 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.106 -4.144 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.446 -2.546 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.619 -4.051 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.674 -2.576 -8.379 1.00 0.00 H new ATOM 607 N LEU A 42 7.485 -3.470 -3.314 1.00 0.00 N ATOM 608 CA LEU A 42 7.520 -3.086 -1.908 1.00 0.00 C ATOM 609 C LEU A 42 8.728 -2.200 -1.621 1.00 0.00 C ATOM 610 O LEU A 42 8.730 -1.421 -0.668 1.00 0.00 O ATOM 611 CB LEU A 42 7.597 -4.339 -1.042 1.00 0.00 C ATOM 612 CG LEU A 42 6.256 -4.922 -0.585 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.437 -5.401 -1.776 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.485 -6.064 0.396 1.00 0.00 C ATOM 0 H LEU A 42 7.366 -4.471 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 42 6.613 -2.527 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.135 -5.108 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.191 -4.110 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 42 5.694 -4.134 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.490 -5.810 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.244 -4.563 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.990 -6.173 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.524 -6.469 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.068 -6.848 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.027 -5.693 1.266 1.00 0.00 H new ATOM 626 N SER A 43 9.753 -2.328 -2.457 1.00 0.00 N ATOM 627 CA SER A 43 10.969 -1.542 -2.301 1.00 0.00 C ATOM 628 C SER A 43 10.647 -0.070 -2.461 1.00 0.00 C ATOM 629 O SER A 43 10.998 0.757 -1.619 1.00 0.00 O ATOM 630 CB SER A 43 12.030 -1.982 -3.317 1.00 0.00 C ATOM 631 OG SER A 43 12.405 -0.917 -4.177 1.00 0.00 O ATOM 0 H SER A 43 9.765 -2.970 -3.250 1.00 0.00 H new ATOM 0 HA SER A 43 11.375 -1.707 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.909 -2.350 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.644 -2.811 -3.911 1.00 0.00 H new ATOM 0 HG SER A 43 13.083 -1.231 -4.810 1.00 0.00 H new ATOM 637 N THR A 44 9.947 0.236 -3.536 1.00 0.00 N ATOM 638 CA THR A 44 9.532 1.594 -3.811 1.00 0.00 C ATOM 639 C THR A 44 8.471 2.018 -2.803 1.00 0.00 C ATOM 640 O THR A 44 8.231 3.209 -2.604 1.00 0.00 O ATOM 641 CB THR A 44 8.982 1.698 -5.231 1.00 0.00 C ATOM 642 OG1 THR A 44 8.357 0.488 -5.617 1.00 0.00 O ATOM 643 CG2 THR A 44 10.043 2.015 -6.262 1.00 0.00 C ATOM 0 H THR A 44 9.653 -0.444 -4.237 1.00 0.00 H new ATOM 0 HA THR A 44 10.393 2.257 -3.723 1.00 0.00 H new ATOM 0 HB THR A 44 8.267 2.520 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.823 0.143 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.585 2.075 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.511 2.969 -6.021 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.799 1.230 -6.260 1.00 0.00 H new ATOM 651 N ILE A 45 7.843 1.031 -2.160 1.00 0.00 N ATOM 652 CA ILE A 45 6.815 1.314 -1.163 1.00 0.00 C ATOM 653 C ILE A 45 7.444 1.595 0.198 1.00 0.00 C ATOM 654 O ILE A 45 8.181 0.767 0.735 1.00 0.00 O ATOM 655 CB ILE A 45 5.814 0.149 -1.029 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.243 -0.222 -2.398 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.695 0.520 -0.066 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.395 0.869 -3.016 1.00 0.00 C ATOM 0 H ILE A 45 8.027 0.039 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 45 6.276 2.197 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 45 6.340 -0.718 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.065 -0.458 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.642 -1.126 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.996 -0.312 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.117 0.740 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.169 1.398 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.024 0.536 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.552 1.090 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.998 1.768 -3.147 1.00 0.00 H new ATOM 670 N ASP A 46 7.156 2.771 0.748 1.00 0.00 N ATOM 671 CA ASP A 46 7.702 3.164 2.043 1.00 0.00 C ATOM 672 C ASP A 46 6.681 2.965 3.160 1.00 0.00 C ATOM 673 O ASP A 46 7.049 2.756 4.316 1.00 0.00 O ATOM 674 CB ASP A 46 8.152 4.625 2.006 1.00 0.00 C ATOM 675 CG ASP A 46 9.014 4.995 3.197 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.451 5.230 4.287 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.252 5.050 3.040 1.00 0.00 O ATOM 0 H ASP A 46 6.548 3.468 0.318 1.00 0.00 H new ATOM 0 HA ASP A 46 8.561 2.526 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.709 4.807 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.275 5.272 1.981 1.00 0.00 H new ATOM 682 N LYS A 47 5.400 3.033 2.813 1.00 0.00 N ATOM 683 CA LYS A 47 4.337 2.860 3.796 1.00 0.00 C ATOM 684 C LYS A 47 3.416 1.705 3.416 1.00 0.00 C ATOM 685 O LYS A 47 3.167 1.451 2.237 1.00 0.00 O ATOM 686 CB LYS A 47 3.527 4.150 3.942 1.00 0.00 C ATOM 687 CG LYS A 47 3.692 4.820 5.296 1.00 0.00 C ATOM 688 CD LYS A 47 3.568 6.332 5.188 1.00 0.00 C ATOM 689 CE LYS A 47 4.669 7.039 5.963 1.00 0.00 C ATOM 690 NZ LYS A 47 4.322 8.458 6.251 1.00 0.00 N ATOM 0 H LYS A 47 5.074 3.206 1.862 1.00 0.00 H new ATOM 0 HA LYS A 47 4.804 2.624 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.827 4.848 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.472 3.927 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.938 4.440 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.665 4.563 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.612 6.628 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.596 6.646 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.849 6.512 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.597 7.001 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.098 8.905 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.175 8.968 5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.451 8.494 6.818 1.00 0.00 H new ATOM 704 N LEU A 48 2.914 1.014 4.430 1.00 0.00 N ATOM 705 CA LEU A 48 2.014 -0.118 4.234 1.00 0.00 C ATOM 706 C LEU A 48 1.142 -0.302 5.474 1.00 0.00 C ATOM 707 O LEU A 48 1.656 -0.414 6.587 1.00 0.00 O ATOM 708 CB LEU A 48 2.823 -1.389 3.941 1.00 0.00 C ATOM 709 CG LEU A 48 2.086 -2.716 4.146 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.125 -3.122 5.611 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.649 -2.622 3.651 1.00 0.00 C ATOM 0 H LEU A 48 3.117 1.220 5.408 1.00 0.00 H new ATOM 0 HA LEU A 48 1.366 0.078 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.170 -1.345 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.709 -1.386 4.576 1.00 0.00 H new ATOM 0 HG LEU A 48 2.593 -3.483 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.597 -4.067 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.161 -3.238 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.645 -2.352 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.147 -3.577 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.125 -1.842 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.645 -2.380 2.588 1.00 0.00 H new ATOM 723 N GLN A 49 -0.176 -0.301 5.290 1.00 0.00 N ATOM 724 CA GLN A 49 -1.087 -0.437 6.420 1.00 0.00 C ATOM 725 C GLN A 49 -2.381 -1.164 6.058 1.00 0.00 C ATOM 726 O GLN A 49 -2.719 -1.327 4.885 1.00 0.00 O ATOM 727 CB GLN A 49 -1.410 0.948 6.975 1.00 0.00 C ATOM 728 CG GLN A 49 -2.307 1.780 6.068 1.00 0.00 C ATOM 729 CD GLN A 49 -1.594 2.986 5.484 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.881 4.126 5.847 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.658 2.738 4.575 1.00 0.00 N ATOM 0 H GLN A 49 -0.631 -0.209 4.382 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.584 -1.045 7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.894 0.837 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.478 1.488 7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.677 1.154 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.177 2.116 6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.453 1.776 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.145 3.509 4.148 1.00 0.00 H new ATOM 740 N ALA A 50 -3.104 -1.579 7.097 1.00 0.00 N ATOM 741 CA ALA A 50 -4.379 -2.273 6.946 1.00 0.00 C ATOM 742 C ALA A 50 -5.400 -1.686 7.912 1.00 0.00 C ATOM 743 O ALA A 50 -5.028 -1.108 8.932 1.00 0.00 O ATOM 744 CB ALA A 50 -4.212 -3.763 7.202 1.00 0.00 C ATOM 0 H ALA A 50 -2.821 -1.443 8.067 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.732 -2.139 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.174 -4.262 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.499 -4.177 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.844 -3.919 8.216 1.00 0.00 H new ATOM 750 N THR A 51 -6.682 -1.819 7.595 1.00 0.00 N ATOM 751 CA THR A 51 -7.724 -1.273 8.457 1.00 0.00 C ATOM 752 C THR A 51 -7.955 -2.143 9.693 1.00 0.00 C ATOM 753 O THR A 51 -8.022 -3.369 9.603 1.00 0.00 O ATOM 754 CB THR A 51 -9.029 -1.101 7.685 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.658 -2.351 7.469 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.839 -0.438 6.342 1.00 0.00 C ATOM 0 H THR A 51 -7.023 -2.294 6.759 1.00 0.00 H new ATOM 0 HA THR A 51 -7.381 -0.296 8.797 1.00 0.00 H new ATOM 0 HB THR A 51 -9.651 -0.456 8.306 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.469 -2.408 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.803 -0.345 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.406 0.552 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.170 -1.042 5.729 1.00 0.00 H new ATOM 764 N PRO A 52 -8.081 -1.502 10.871 1.00 0.00 N ATOM 765 CA PRO A 52 -8.304 -2.166 12.142 1.00 0.00 C ATOM 766 C PRO A 52 -9.778 -2.186 12.521 1.00 0.00 C ATOM 767 O PRO A 52 -10.589 -1.484 11.917 1.00 0.00 O ATOM 768 CB PRO A 52 -7.520 -1.279 13.100 1.00 0.00 C ATOM 769 CG PRO A 52 -7.657 0.102 12.536 1.00 0.00 C ATOM 770 CD PRO A 52 -8.011 -0.047 11.070 1.00 0.00 C ATOM 0 HA PRO A 52 -7.998 -3.212 12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.922 -1.336 14.111 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.475 -1.582 13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.431 0.658 13.064 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.728 0.659 12.653 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.961 0.435 10.837 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.257 0.409 10.428 1.00 0.00 H new ATOM 778 N ALA A 53 -10.121 -2.988 13.522 1.00 0.00 N ATOM 779 CA ALA A 53 -11.503 -3.095 13.987 1.00 0.00 C ATOM 780 C ALA A 53 -12.121 -1.728 14.327 1.00 0.00 C ATOM 781 O ALA A 53 -13.281 -1.658 14.732 1.00 0.00 O ATOM 782 CB ALA A 53 -11.574 -4.015 15.197 1.00 0.00 C ATOM 0 H ALA A 53 -9.461 -3.576 14.030 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.086 -3.514 13.167 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.607 -4.089 15.537 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.210 -5.005 14.923 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.956 -3.610 15.999 1.00 0.00 H new ATOM 788 N SER A 54 -11.356 -0.645 14.159 1.00 0.00 N ATOM 789 CA SER A 54 -11.857 0.695 14.448 1.00 0.00 C ATOM 790 C SER A 54 -13.048 1.021 13.570 1.00 0.00 C ATOM 791 O SER A 54 -13.953 1.758 13.962 1.00 0.00 O ATOM 792 CB SER A 54 -10.759 1.709 14.167 1.00 0.00 C ATOM 793 OG SER A 54 -9.585 1.415 14.904 1.00 0.00 O ATOM 0 H SER A 54 -10.392 -0.673 13.826 1.00 0.00 H new ATOM 0 HA SER A 54 -12.161 0.734 15.494 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.530 1.714 13.101 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.110 2.709 14.422 1.00 0.00 H new ATOM 0 HG SER A 54 -8.896 2.082 14.702 1.00 0.00 H new ATOM 799 N SER A 55 -13.031 0.457 12.381 1.00 0.00 N ATOM 800 CA SER A 55 -14.092 0.659 11.415 1.00 0.00 C ATOM 801 C SER A 55 -14.516 -0.672 10.799 1.00 0.00 C ATOM 802 O SER A 55 -13.916 -1.711 11.075 1.00 0.00 O ATOM 803 CB SER A 55 -13.617 1.621 10.339 1.00 0.00 C ATOM 804 OG SER A 55 -14.679 2.434 9.871 1.00 0.00 O ATOM 0 H SER A 55 -12.282 -0.154 12.056 1.00 0.00 H new ATOM 0 HA SER A 55 -14.959 1.087 11.918 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.822 2.251 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.192 1.059 9.507 1.00 0.00 H new ATOM 0 HG SER A 55 -14.452 3.378 10.005 1.00 0.00 H new ATOM 810 N GLU A 56 -15.559 -0.640 9.977 1.00 0.00 N ATOM 811 CA GLU A 56 -16.066 -1.851 9.339 1.00 0.00 C ATOM 812 C GLU A 56 -15.460 -2.053 7.953 1.00 0.00 C ATOM 813 O GLU A 56 -16.066 -2.689 7.090 1.00 0.00 O ATOM 814 CB GLU A 56 -17.591 -1.793 9.234 1.00 0.00 C ATOM 815 CG GLU A 56 -18.226 -3.124 8.864 1.00 0.00 C ATOM 816 CD GLU A 56 -19.619 -3.285 9.441 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.315 -2.261 9.607 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.013 -4.435 9.726 1.00 0.00 O ATOM 0 H GLU A 56 -16.070 0.210 9.737 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.775 -2.698 9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.000 -1.457 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.868 -1.048 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.274 -3.210 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.593 -3.936 9.221 1.00 0.00 H new ATOM 825 N LYS A 57 -14.263 -1.514 7.740 1.00 0.00 N ATOM 826 CA LYS A 57 -13.591 -1.648 6.454 1.00 0.00 C ATOM 827 C LYS A 57 -12.696 -2.884 6.428 1.00 0.00 C ATOM 828 O LYS A 57 -12.732 -3.716 7.334 1.00 0.00 O ATOM 829 CB LYS A 57 -12.755 -0.402 6.107 1.00 0.00 C ATOM 830 CG LYS A 57 -12.842 0.728 7.119 1.00 0.00 C ATOM 831 CD LYS A 57 -14.265 1.247 7.264 1.00 0.00 C ATOM 832 CE LYS A 57 -14.315 2.766 7.193 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.634 3.301 7.632 1.00 0.00 N ATOM 0 H LYS A 57 -13.742 -0.983 8.438 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.374 -1.755 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.711 -0.699 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.076 -0.026 5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.482 0.378 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.187 1.543 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.889 0.824 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.680 0.912 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.527 3.185 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.115 3.088 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.708 4.303 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.397 2.763 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.719 3.210 8.665 1.00 0.00 H new ATOM 847 N MET A 58 -11.891 -2.985 5.377 1.00 0.00 N ATOM 848 CA MET A 58 -10.970 -4.101 5.204 1.00 0.00 C ATOM 849 C MET A 58 -10.138 -3.892 3.944 1.00 0.00 C ATOM 850 O MET A 58 -10.286 -4.615 2.959 1.00 0.00 O ATOM 851 CB MET A 58 -11.734 -5.426 5.120 1.00 0.00 C ATOM 852 CG MET A 58 -13.032 -5.338 4.333 1.00 0.00 C ATOM 853 SD MET A 58 -14.487 -5.657 5.349 1.00 0.00 S ATOM 854 CE MET A 58 -15.375 -6.804 4.300 1.00 0.00 C ATOM 0 H MET A 58 -11.858 -2.298 4.624 1.00 0.00 H new ATOM 0 HA MET A 58 -10.307 -4.144 6.068 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.091 -6.177 4.660 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.955 -5.772 6.130 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.115 -4.347 3.888 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.003 -6.055 3.512 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.320 -7.072 4.772 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.571 -6.337 3.335 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.775 -7.702 4.154 1.00 0.00 H new ATOM 864 N MET A 59 -9.277 -2.879 3.978 1.00 0.00 N ATOM 865 CA MET A 59 -8.436 -2.550 2.835 1.00 0.00 C ATOM 866 C MET A 59 -6.971 -2.389 3.232 1.00 0.00 C ATOM 867 O MET A 59 -6.650 -2.159 4.398 1.00 0.00 O ATOM 868 CB MET A 59 -8.926 -1.248 2.197 1.00 0.00 C ATOM 869 CG MET A 59 -8.801 -0.050 3.121 1.00 0.00 C ATOM 870 SD MET A 59 -10.397 0.626 3.619 1.00 0.00 S ATOM 871 CE MET A 59 -9.877 1.883 4.789 1.00 0.00 C ATOM 0 H MET A 59 -9.144 -2.272 4.787 1.00 0.00 H new ATOM 0 HA MET A 59 -8.506 -3.375 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.356 -1.059 1.287 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.969 -1.365 1.902 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.242 -0.341 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.223 0.728 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.265 1.642 5.779 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.788 1.919 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.262 2.853 4.475 1.00 0.00 H new ATOM 881 N LEU A 60 -6.095 -2.481 2.237 1.00 0.00 N ATOM 882 CA LEU A 60 -4.663 -2.315 2.448 1.00 0.00 C ATOM 883 C LEU A 60 -4.183 -1.086 1.681 1.00 0.00 C ATOM 884 O LEU A 60 -4.665 -0.809 0.586 1.00 0.00 O ATOM 885 CB LEU A 60 -3.895 -3.561 1.991 1.00 0.00 C ATOM 886 CG LEU A 60 -4.115 -4.822 2.838 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.031 -5.854 2.556 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.146 -4.479 4.321 1.00 0.00 C ATOM 0 H LEU A 60 -6.356 -2.671 1.269 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.474 -2.178 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.177 -3.783 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.830 -3.329 1.987 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.080 -5.249 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.205 -6.740 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.056 -6.129 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.055 -5.432 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.303 -5.388 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.198 -4.024 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.959 -3.779 4.516 1.00 0.00 H new ATOM 900 N ARG A 61 -3.249 -0.341 2.258 1.00 0.00 N ATOM 901 CA ARG A 61 -2.741 0.864 1.609 1.00 0.00 C ATOM 902 C ARG A 61 -1.246 0.754 1.327 1.00 0.00 C ATOM 903 O ARG A 61 -0.466 0.359 2.193 1.00 0.00 O ATOM 904 CB ARG A 61 -3.019 2.089 2.480 1.00 0.00 C ATOM 905 CG ARG A 61 -2.514 3.392 1.882 1.00 0.00 C ATOM 906 CD ARG A 61 -3.260 3.748 0.606 1.00 0.00 C ATOM 907 NE ARG A 61 -4.252 4.798 0.825 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.947 6.044 1.179 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.680 6.401 1.355 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.910 6.938 1.356 1.00 0.00 N ATOM 0 H ARG A 61 -2.830 -0.546 3.165 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.258 0.974 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.093 2.169 2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.555 1.943 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.631 4.196 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.448 3.307 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.547 4.075 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.754 2.859 0.215 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.236 4.562 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.934 5.719 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.453 7.358 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.885 6.671 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.676 7.893 1.627 1.00 0.00 H new ATOM 924 N LEU A 62 -0.859 1.111 0.107 1.00 0.00 N ATOM 925 CA LEU A 62 0.538 1.059 -0.304 1.00 0.00 C ATOM 926 C LEU A 62 1.013 2.433 -0.768 1.00 0.00 C ATOM 927 O LEU A 62 0.428 3.027 -1.671 1.00 0.00 O ATOM 928 CB LEU A 62 0.719 0.041 -1.432 1.00 0.00 C ATOM 929 CG LEU A 62 0.756 -1.423 -0.994 1.00 0.00 C ATOM 930 CD1 LEU A 62 2.073 -1.736 -0.304 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.420 -1.740 -0.082 1.00 0.00 C ATOM 0 H LEU A 62 -1.497 1.441 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 62 1.136 0.753 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.094 0.168 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.646 0.269 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 62 0.675 -2.051 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.084 -2.782 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.897 -1.551 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.184 -1.100 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.375 -2.787 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.375 -1.106 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.353 -1.555 -0.614 1.00 0.00 H new ATOM 943 N ILE A 63 2.075 2.934 -0.146 1.00 0.00 N ATOM 944 CA ILE A 63 2.618 4.239 -0.502 1.00 0.00 C ATOM 945 C ILE A 63 4.039 4.112 -1.049 1.00 0.00 C ATOM 946 O ILE A 63 4.933 3.604 -0.374 1.00 0.00 O ATOM 947 CB ILE A 63 2.603 5.195 0.712 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.211 5.800 0.885 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.643 6.299 0.572 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.535 5.371 2.161 1.00 0.00 C ATOM 0 H ILE A 63 2.575 2.458 0.605 1.00 0.00 H new ATOM 0 HA ILE A 63 1.982 4.657 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 63 2.857 4.613 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.289 6.887 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.589 5.514 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.602 6.951 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.636 5.856 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.437 6.882 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.450 5.834 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.427 4.286 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.138 5.681 3.014 1.00 0.00 H new ATOM 962 N GLY A 64 4.235 4.582 -2.277 1.00 0.00 N ATOM 963 CA GLY A 64 5.546 4.516 -2.898 1.00 0.00 C ATOM 964 C GLY A 64 6.578 5.350 -2.163 1.00 0.00 C ATOM 965 O GLY A 64 6.480 5.544 -0.952 1.00 0.00 O ATOM 0 H GLY A 64 3.509 5.008 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.878 3.478 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.474 4.859 -3.930 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.322 6.679 -3.704 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.763 5.690 -2.728 1.00 0.00 C ATOM 1313 C ARG A 86 -1.825 4.773 -3.326 1.00 0.00 C ATOM 1314 O ARG A 86 -2.765 5.234 -3.972 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.315 6.383 -1.481 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.452 7.536 -0.993 1.00 0.00 C ATOM 1317 CD ARG A 86 -1.004 8.877 -1.448 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.802 9.522 -0.407 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.304 9.947 0.752 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.014 9.798 1.023 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -2.100 10.522 1.643 1.00 0.00 N ATOM 0 HA ARG A 86 0.099 5.085 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.317 6.755 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.413 5.649 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.396 7.515 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.565 7.414 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.179 9.531 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.617 8.734 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.799 9.654 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.603 9.356 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.361 10.126 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.093 10.638 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.720 10.848 2.531 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.665 3.471 -3.110 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.609 2.489 -3.631 1.00 0.00 C ATOM 1337 C HIS A 87 -3.488 1.929 -2.517 1.00 0.00 C ATOM 1338 O HIS A 87 -2.991 1.338 -1.559 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.868 1.339 -4.324 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.525 1.717 -4.871 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.355 2.634 -5.886 1.00 0.00 N ATOM 1342 CD2 HIS A 87 0.718 1.292 -4.540 1.00 0.00 C ATOM 1343 CE1 HIS A 87 0.932 2.757 -6.156 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.604 1.954 -5.353 1.00 0.00 N ATOM 0 H HIS A 87 -0.891 3.072 -2.578 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.243 2.996 -4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.742 0.522 -3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.486 0.961 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.966 0.567 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.361 3.405 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.618 1.843 -5.339 1.00 0.00 H new ATOM 1353 N MET A 88 -4.798 2.105 -2.657 1.00 0.00 N ATOM 1354 CA MET A 88 -5.745 1.602 -1.668 1.00 0.00 C ATOM 1355 C MET A 88 -6.395 0.319 -2.175 1.00 0.00 C ATOM 1356 O MET A 88 -7.228 0.350 -3.081 1.00 0.00 O ATOM 1357 CB MET A 88 -6.820 2.654 -1.376 1.00 0.00 C ATOM 1358 CG MET A 88 -7.103 2.850 0.107 1.00 0.00 C ATOM 1359 SD MET A 88 -8.739 2.266 0.600 1.00 0.00 S ATOM 1360 CE MET A 88 -8.929 3.048 2.207 1.00 0.00 C ATOM 0 H MET A 88 -5.227 2.591 -3.444 1.00 0.00 H new ATOM 0 HA MET A 88 -5.206 1.388 -0.745 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.509 3.606 -1.806 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.744 2.365 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.346 2.323 0.688 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.013 3.909 0.351 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.929 2.849 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.188 2.646 2.897 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.786 4.124 2.107 1.00 0.00 H new ATOM 1370 N PHE A 89 -6.008 -0.806 -1.588 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.550 -2.099 -1.983 1.00 0.00 C ATOM 1372 C PHE A 89 -7.711 -2.491 -1.083 1.00 0.00 C ATOM 1373 O PHE A 89 -7.560 -2.573 0.134 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.458 -3.165 -1.937 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.155 -3.747 -3.283 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.181 -4.188 -4.099 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.850 -3.844 -3.735 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.913 -4.717 -5.344 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.576 -4.374 -4.979 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.610 -4.810 -5.783 1.00 0.00 C ATOM 0 H PHE A 89 -5.320 -0.849 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.920 -2.021 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.549 -2.729 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.765 -3.964 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.203 -4.117 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.040 -3.502 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.722 -5.057 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.555 -4.448 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.398 -5.225 -6.757 1.00 0.00 H new ATOM 1390 N SER A 90 -8.874 -2.720 -1.682 1.00 0.00 N ATOM 1391 CA SER A 90 -10.055 -3.082 -0.914 1.00 0.00 C ATOM 1392 C SER A 90 -10.632 -4.423 -1.346 1.00 0.00 C ATOM 1393 O SER A 90 -10.898 -4.651 -2.527 1.00 0.00 O ATOM 1394 CB SER A 90 -11.123 -1.997 -1.058 1.00 0.00 C ATOM 1395 OG SER A 90 -12.085 -2.086 -0.022 1.00 0.00 O ATOM 0 H SER A 90 -9.022 -2.662 -2.689 1.00 0.00 H new ATOM 0 HA SER A 90 -9.750 -3.171 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.652 -1.014 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.616 -2.094 -2.025 1.00 0.00 H new ATOM 0 HG SER A 90 -12.755 -1.380 -0.136 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.849 -5.296 -0.366 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.433 -6.604 -0.617 1.00 0.00 C ATOM 1403 C PHE A 91 -12.503 -6.889 0.428 1.00 0.00 C ATOM 1404 O PHE A 91 -12.641 -6.147 1.398 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.390 -7.739 -0.640 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.054 -7.446 -0.009 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.306 -6.330 -0.356 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.534 -8.328 0.923 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.069 -6.103 0.218 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.302 -8.106 1.498 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.567 -6.993 1.146 1.00 0.00 C ATOM 0 H PHE A 91 -10.627 -5.117 0.613 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.876 -6.576 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.820 -8.606 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.220 -8.024 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.694 -5.631 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.102 -9.203 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.496 -5.230 -0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.912 -8.803 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.601 -6.818 1.596 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.268 -7.954 0.225 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.333 -8.311 1.156 1.00 0.00 C ATOM 1423 C ASN A 92 -13.831 -9.269 2.230 1.00 0.00 C ATOM 1424 O ASN A 92 -14.608 -10.034 2.803 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.507 -8.939 0.404 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.079 -10.103 -0.467 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.726 -11.172 0.033 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.108 -9.902 -1.780 1.00 0.00 N ATOM 0 H ASN A 92 -13.172 -8.584 -0.572 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.669 -7.397 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.253 -9.281 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.985 -8.181 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.831 -10.649 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.407 -9.000 -2.151 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.532 -9.224 2.503 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.939 -10.090 3.512 1.00 0.00 C ATOM 1437 C ASN A 93 -11.133 -9.286 4.525 1.00 0.00 C ATOM 1438 O ASN A 93 -9.974 -8.948 4.285 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.047 -11.143 2.851 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.776 -12.450 2.611 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.602 -12.872 3.420 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.473 -13.100 1.493 1.00 0.00 N ATOM 0 H ASN A 93 -11.872 -8.599 2.041 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.750 -10.590 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.677 -10.757 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.177 -11.326 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.931 -13.985 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.782 -12.714 0.850 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.753 -8.990 5.663 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.091 -8.234 6.719 1.00 0.00 C ATOM 1451 C ARG A 94 -9.976 -9.062 7.349 1.00 0.00 C ATOM 1452 O ARG A 94 -8.968 -8.522 7.805 1.00 0.00 O ATOM 1453 CB ARG A 94 -12.101 -7.817 7.789 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.491 -7.001 8.917 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.517 -6.078 9.555 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.129 -6.674 10.740 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.782 -5.977 11.667 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.911 -4.661 11.550 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.309 -6.598 12.713 1.00 0.00 N ATOM 0 H ARG A 94 -12.712 -9.262 5.877 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.655 -7.338 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.895 -7.236 7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.564 -8.711 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.083 -7.672 9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.659 -6.411 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.038 -5.138 9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.293 -5.840 8.827 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.051 -7.683 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.509 -4.179 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.413 -4.132 12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.214 -7.609 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.810 -6.065 13.424 1.00 0.00 H new ATOM 1473 N THR A 95 -10.166 -10.377 7.367 1.00 0.00 N ATOM 1474 CA THR A 95 -9.198 -11.286 7.927 1.00 0.00 C ATOM 1475 C THR A 95 -7.977 -11.406 7.022 1.00 0.00 C ATOM 1476 O THR A 95 -6.839 -11.321 7.484 1.00 0.00 O ATOM 1477 CB THR A 95 -9.857 -12.641 8.111 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.268 -12.532 8.028 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.528 -13.288 9.429 1.00 0.00 C ATOM 0 H THR A 95 -10.998 -10.833 6.992 1.00 0.00 H new ATOM 0 HA THR A 95 -8.857 -10.905 8.890 1.00 0.00 H new ATOM 0 HB THR A 95 -9.462 -13.263 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.672 -13.417 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.031 -14.253 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.450 -13.434 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.864 -12.646 10.243 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.222 -11.600 5.730 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.142 -11.727 4.760 1.00 0.00 C ATOM 1489 C VAL A 96 -6.281 -10.469 4.743 1.00 0.00 C ATOM 1490 O VAL A 96 -5.078 -10.528 4.998 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.684 -11.994 3.342 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.542 -12.177 2.354 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.596 -13.211 3.341 1.00 0.00 C ATOM 0 H VAL A 96 -9.158 -11.673 5.332 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.534 -12.578 5.066 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.267 -11.128 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.948 -12.364 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.931 -11.274 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.928 -13.024 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.970 -13.385 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.037 -14.085 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.436 -13.037 4.014 1.00 0.00 H new ATOM 1503 N MET A 97 -6.902 -9.330 4.436 1.00 0.00 N ATOM 1504 CA MET A 97 -6.185 -8.053 4.382 1.00 0.00 C ATOM 1505 C MET A 97 -5.214 -7.892 5.553 1.00 0.00 C ATOM 1506 O MET A 97 -4.022 -7.657 5.354 1.00 0.00 O ATOM 1507 CB MET A 97 -7.173 -6.886 4.381 1.00 0.00 C ATOM 1508 CG MET A 97 -8.322 -7.051 5.366 1.00 0.00 C ATOM 1509 SD MET A 97 -8.233 -5.891 6.744 1.00 0.00 S ATOM 1510 CE MET A 97 -7.810 -4.381 5.882 1.00 0.00 C ATOM 0 H MET A 97 -7.897 -9.264 4.221 1.00 0.00 H new ATOM 0 HA MET A 97 -5.608 -8.050 3.457 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.635 -5.967 4.615 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.582 -6.769 3.377 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.267 -6.913 4.841 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.319 -8.070 5.754 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.768 -4.130 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.954 -4.521 4.811 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.450 -3.571 6.231 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.732 -8.009 6.770 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.913 -7.863 7.970 1.00 0.00 C ATOM 1522 C ASP A 98 -3.835 -8.943 8.051 1.00 0.00 C ATOM 1523 O ASP A 98 -2.830 -8.774 8.742 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.793 -7.916 9.219 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.435 -6.579 9.531 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.743 -5.546 9.413 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.631 -6.564 9.894 1.00 0.00 O ATOM 0 H ASP A 98 -6.716 -8.205 6.953 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.417 -6.894 7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.572 -8.666 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.192 -8.235 10.070 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.050 -10.053 7.354 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.095 -11.157 7.366 1.00 0.00 C ATOM 1534 C ASN A 99 -1.936 -10.909 6.405 1.00 0.00 C ATOM 1535 O ASN A 99 -0.778 -11.157 6.742 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.797 -12.468 7.007 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.315 -13.199 8.230 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.046 -12.804 9.364 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.064 -14.272 8.004 1.00 0.00 N ATOM 0 H ASN A 99 -4.874 -10.213 6.775 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.687 -11.228 8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.628 -12.260 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.103 -13.113 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.442 -14.805 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.262 -14.563 7.047 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.248 -10.430 5.205 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.219 -10.168 4.205 1.00 0.00 C ATOM 1548 C ILE A 100 -0.444 -8.889 4.516 1.00 0.00 C ATOM 1549 O ILE A 100 0.739 -8.782 4.193 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.816 -10.077 2.786 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.697 -10.009 1.743 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.738 -8.873 2.665 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.187 -9.692 0.347 1.00 0.00 C ATOM 0 H ILE A 100 -3.198 -10.217 4.903 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.530 -11.012 4.241 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.407 -10.974 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.025 -9.251 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.170 -10.963 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.148 -8.828 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.552 -8.965 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.175 -7.962 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.339 -9.660 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.886 -10.463 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.689 -8.724 0.348 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.106 -7.923 5.149 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.455 -6.664 5.500 1.00 0.00 C ATOM 1567 C LYS A 101 0.641 -6.904 6.525 1.00 0.00 C ATOM 1568 O LYS A 101 1.743 -6.369 6.414 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.470 -5.668 6.061 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.898 -4.274 6.267 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.379 -4.082 7.686 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.514 -3.920 8.685 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.060 -4.158 10.083 1.00 0.00 N ATOM 0 H LYS A 101 -2.085 -7.987 5.427 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.015 -6.247 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.321 -5.607 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.847 -6.042 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.088 -4.104 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.667 -3.530 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.234 -4.938 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.265 -3.203 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.929 -2.915 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.316 -4.617 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.584 -4.961 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.042 -4.372 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.236 -3.307 10.655 1.00 0.00 H new ATOM 1587 N MET A 102 0.323 -7.716 7.525 1.00 0.00 N ATOM 1588 CA MET A 102 1.273 -8.041 8.585 1.00 0.00 C ATOM 1589 C MET A 102 2.610 -8.483 7.998 1.00 0.00 C ATOM 1590 O MET A 102 3.673 -8.117 8.499 1.00 0.00 O ATOM 1591 CB MET A 102 0.708 -9.143 9.484 1.00 0.00 C ATOM 1592 CG MET A 102 1.032 -8.951 10.957 1.00 0.00 C ATOM 1593 SD MET A 102 0.690 -10.423 11.940 1.00 0.00 S ATOM 1594 CE MET A 102 -1.042 -10.178 12.325 1.00 0.00 C ATOM 0 H MET A 102 -0.588 -8.164 7.626 1.00 0.00 H new ATOM 0 HA MET A 102 1.437 -7.144 9.182 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.374 -9.182 9.361 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.101 -10.105 9.156 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.084 -8.685 11.062 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.451 -8.115 11.347 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.401 -11.010 12.931 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.164 -9.247 12.878 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.617 -10.128 11.400 1.00 0.00 H new ATOM 1604 N THR A 103 2.545 -9.268 6.929 1.00 0.00 N ATOM 1605 CA THR A 103 3.747 -9.759 6.265 1.00 0.00 C ATOM 1606 C THR A 103 4.583 -8.600 5.730 1.00 0.00 C ATOM 1607 O THR A 103 5.810 -8.609 5.832 1.00 0.00 O ATOM 1608 CB THR A 103 3.369 -10.703 5.123 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.624 -11.805 5.610 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.567 -11.253 4.378 1.00 0.00 C ATOM 0 H THR A 103 1.672 -9.579 6.503 1.00 0.00 H new ATOM 0 HA THR A 103 4.343 -10.304 6.996 1.00 0.00 H new ATOM 0 HB THR A 103 2.779 -10.100 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.390 -12.397 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.228 -11.915 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.137 -10.430 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.200 -11.811 5.068 1.00 0.00 H new ATOM 1618 N LEU A 104 3.913 -7.604 5.160 1.00 0.00 N ATOM 1619 CA LEU A 104 4.598 -6.439 4.610 1.00 0.00 C ATOM 1620 C LEU A 104 5.000 -5.471 5.718 1.00 0.00 C ATOM 1621 O LEU A 104 6.082 -4.887 5.682 1.00 0.00 O ATOM 1622 CB LEU A 104 3.704 -5.722 3.597 1.00 0.00 C ATOM 1623 CG LEU A 104 3.597 -6.402 2.230 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.316 -7.215 2.136 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.657 -5.368 1.115 1.00 0.00 C ATOM 0 H LEU A 104 2.898 -7.580 5.067 1.00 0.00 H new ATOM 0 HA LEU A 104 5.500 -6.787 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.703 -5.631 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.083 -4.710 3.454 1.00 0.00 H new ATOM 0 HG LEU A 104 4.442 -7.081 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.258 -7.691 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.313 -7.980 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.457 -6.558 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.580 -5.869 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.832 -4.665 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.603 -4.829 1.169 1.00 0.00 H new ATOM 1637 N GLN A 105 4.119 -5.306 6.702 1.00 0.00 N ATOM 1638 CA GLN A 105 4.377 -4.407 7.825 1.00 0.00 C ATOM 1639 C GLN A 105 5.782 -4.614 8.383 1.00 0.00 C ATOM 1640 O GLN A 105 6.491 -3.653 8.680 1.00 0.00 O ATOM 1641 CB GLN A 105 3.342 -4.629 8.929 1.00 0.00 C ATOM 1642 CG GLN A 105 3.308 -3.516 9.963 1.00 0.00 C ATOM 1643 CD GLN A 105 1.896 -3.121 10.349 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.289 -3.727 11.233 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.364 -2.101 9.687 1.00 0.00 N ATOM 0 H GLN A 105 3.219 -5.784 6.745 1.00 0.00 H new ATOM 0 HA GLN A 105 4.300 -3.383 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.355 -4.724 8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.555 -5.573 9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.848 -3.836 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.831 -2.644 9.570 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.903 -1.627 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.417 -1.791 9.903 1.00 0.00 H new ATOM 1654 N GLN A 106 6.176 -5.875 8.520 1.00 0.00 N ATOM 1655 CA GLN A 106 7.496 -6.209 9.039 1.00 0.00 C ATOM 1656 C GLN A 106 8.580 -5.862 8.024 1.00 0.00 C ATOM 1657 O GLN A 106 9.636 -5.341 8.383 1.00 0.00 O ATOM 1658 CB GLN A 106 7.567 -7.696 9.391 1.00 0.00 C ATOM 1659 CG GLN A 106 6.703 -8.081 10.581 1.00 0.00 C ATOM 1660 CD GLN A 106 7.138 -9.386 11.219 1.00 0.00 C ATOM 1661 OE1 GLN A 106 8.318 -9.589 11.504 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.183 -10.281 11.445 1.00 0.00 N ATOM 0 H GLN A 106 5.600 -6.682 8.279 1.00 0.00 H new ATOM 0 HA GLN A 106 7.665 -5.622 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.259 -8.281 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.603 -7.962 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.742 -7.286 11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.665 -8.166 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.217 -10.071 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.415 -11.178 11.871 1.00 0.00 H new ATOM 1671 N ILE A 107 8.315 -6.159 6.755 1.00 0.00 N ATOM 1672 CA ILE A 107 9.263 -5.886 5.691 1.00 0.00 C ATOM 1673 C ILE A 107 9.639 -4.410 5.642 1.00 0.00 C ATOM 1674 O ILE A 107 10.814 -4.064 5.740 1.00 0.00 O ATOM 1675 CB ILE A 107 8.700 -6.352 4.328 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.398 -7.637 3.909 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.849 -5.284 3.250 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.673 -8.395 2.818 1.00 0.00 C ATOM 0 H ILE A 107 7.446 -6.591 6.442 1.00 0.00 H new ATOM 0 HA ILE A 107 10.171 -6.450 5.903 1.00 0.00 H new ATOM 0 HB ILE A 107 7.632 -6.534 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.405 -7.398 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.503 -8.284 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.440 -5.656 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.309 -4.386 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.904 -5.046 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.230 -9.299 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.676 -8.666 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.591 -7.767 1.931 1.00 0.00 H new ATOM 1690 N ILE A 108 8.644 -3.540 5.488 1.00 0.00 N ATOM 1691 CA ILE A 108 8.903 -2.106 5.426 1.00 0.00 C ATOM 1692 C ILE A 108 9.822 -1.679 6.555 1.00 0.00 C ATOM 1693 O ILE A 108 10.846 -1.035 6.336 1.00 0.00 O ATOM 1694 CB ILE A 108 7.611 -1.273 5.495 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.541 -1.844 4.561 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.912 0.175 5.143 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.022 -2.059 3.141 1.00 0.00 C ATOM 0 H ILE A 108 7.661 -3.800 5.405 1.00 0.00 H new ATOM 0 HA ILE A 108 9.379 -1.920 4.463 1.00 0.00 H new ATOM 0 HB ILE A 108 7.222 -1.317 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.190 -2.794 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.686 -1.168 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.994 0.760 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.638 0.578 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.320 0.227 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.209 -2.465 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.346 -1.108 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.858 -2.759 3.142 1.00 0.00 H new ATOM 1709 N SER A 109 9.453 -2.066 7.760 1.00 0.00 N ATOM 1710 CA SER A 109 10.243 -1.749 8.939 1.00 0.00 C ATOM 1711 C SER A 109 11.655 -2.299 8.787 1.00 0.00 C ATOM 1712 O SER A 109 12.618 -1.726 9.295 1.00 0.00 O ATOM 1713 CB SER A 109 9.582 -2.330 10.188 1.00 0.00 C ATOM 1714 OG SER A 109 9.784 -1.490 11.312 1.00 0.00 O ATOM 0 H SER A 109 8.607 -2.603 7.951 1.00 0.00 H new ATOM 0 HA SER A 109 10.298 -0.665 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.514 -2.456 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.991 -3.320 10.392 1.00 0.00 H new ATOM 0 HG SER A 109 9.350 -1.884 12.097 1.00 0.00 H new ATOM 1720 N ARG A 110 11.768 -3.410 8.067 1.00 0.00 N ATOM 1721 CA ARG A 110 13.058 -4.034 7.823 1.00 0.00 C ATOM 1722 C ARG A 110 13.807 -3.263 6.741 1.00 0.00 C ATOM 1723 O ARG A 110 14.945 -2.836 6.941 1.00 0.00 O ATOM 1724 CB ARG A 110 12.864 -5.502 7.415 1.00 0.00 C ATOM 1725 CG ARG A 110 13.900 -6.020 6.429 1.00 0.00 C ATOM 1726 CD ARG A 110 13.669 -7.485 6.095 1.00 0.00 C ATOM 1727 NE ARG A 110 14.506 -8.370 6.903 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.795 -8.594 6.663 1.00 0.00 C ATOM 1729 NH1 ARG A 110 16.400 -8.002 5.641 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.483 -9.413 7.448 1.00 0.00 N ATOM 0 H ARG A 110 10.978 -3.896 7.642 1.00 0.00 H new ATOM 0 HA ARG A 110 13.650 -4.010 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.890 -6.122 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.873 -5.617 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 110 13.862 -5.427 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.898 -5.895 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.620 -7.732 6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 110 13.878 -7.653 5.039 1.00 0.00 H new ATOM 0 HE ARG A 110 14.076 -8.844 7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 110 15.876 -7.371 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 110 17.389 -8.178 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 110 16.023 -9.871 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 110 17.471 -9.585 7.264 1.00 0.00 H new ATOM 1744 N TYR A 111 13.156 -3.084 5.595 1.00 0.00 N ATOM 1745 CA TYR A 111 13.757 -2.357 4.483 1.00 0.00 C ATOM 1746 C TYR A 111 14.109 -0.929 4.888 1.00 0.00 C ATOM 1747 O TYR A 111 15.223 -0.464 4.649 1.00 0.00 O ATOM 1748 CB TYR A 111 12.806 -2.341 3.283 1.00 0.00 C ATOM 1749 CG TYR A 111 13.021 -3.482 2.308 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.676 -4.645 2.695 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.564 -3.393 0.999 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.871 -5.685 1.806 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.754 -4.429 0.105 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.408 -5.572 0.513 1.00 0.00 C ATOM 1755 OH TYR A 111 13.599 -6.605 -0.375 1.00 0.00 O ATOM 0 H TYR A 111 12.215 -3.432 5.413 1.00 0.00 H new ATOM 0 HA TYR A 111 14.677 -2.870 4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.779 -2.376 3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.924 -1.396 2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.039 -4.738 3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.052 -2.499 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.383 -6.581 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.392 -4.344 -0.909 1.00 0.00 H new ATOM 0 HH TYR A 111 14.361 -6.400 -0.956 1.00 0.00 H new ATOM 1765 N LYS A 112 13.155 -0.238 5.505 1.00 0.00 N ATOM 1766 CA LYS A 112 13.363 1.139 5.946 1.00 0.00 C ATOM 1767 C LYS A 112 14.647 1.265 6.761 1.00 0.00 C ATOM 1768 O LYS A 112 15.294 2.313 6.765 1.00 0.00 O ATOM 1769 CB LYS A 112 12.173 1.612 6.784 1.00 0.00 C ATOM 1770 CG LYS A 112 10.918 1.904 5.974 1.00 0.00 C ATOM 1771 CD LYS A 112 11.224 2.746 4.745 1.00 0.00 C ATOM 1772 CE LYS A 112 11.494 1.874 3.530 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.256 2.606 2.480 1.00 0.00 N ATOM 0 H LYS A 112 12.228 -0.610 5.712 1.00 0.00 H new ATOM 0 HA LYS A 112 13.452 1.766 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.942 0.851 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.460 2.513 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.457 0.965 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.194 2.425 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.385 3.410 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.090 3.378 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.054 0.990 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.548 1.525 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.188 2.091 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.858 3.560 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.254 2.679 2.763 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.199 4.448 5.350 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.970 5.522 6.307 1.00 0.00 C ATOM 1971 C ASP B 70 -11.430 4.977 7.628 1.00 0.00 C ATOM 1972 O ASP B 70 -11.850 5.403 8.705 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.276 6.278 6.544 1.00 0.00 C ATOM 1974 CG ASP B 70 -13.046 7.711 6.985 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.217 7.926 7.894 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -13.694 8.617 6.421 1.00 0.00 O ATOM 0 HA ASP B 70 -11.223 6.201 5.896 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.866 6.274 5.628 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.861 5.757 7.302 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.498 4.035 7.537 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.896 3.430 8.721 1.00 0.00 C ATOM 1983 C ALA B 71 -8.546 2.808 8.379 1.00 0.00 C ATOM 1984 O ALA B 71 -8.345 1.606 8.546 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.837 2.386 9.319 1.00 0.00 C ATOM 0 H ALA B 71 -10.141 3.672 6.653 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.731 4.211 9.464 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.375 1.943 10.201 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.776 2.862 9.601 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.032 1.607 8.582 1.00 0.00 H new ATOM 1991 N THR B 72 -7.625 3.637 7.896 1.00 0.00 N ATOM 1992 CA THR B 72 -6.289 3.171 7.530 1.00 0.00 C ATOM 1993 C THR B 72 -5.236 4.255 7.749 1.00 0.00 C ATOM 1994 O THR B 72 -4.082 3.954 8.051 1.00 0.00 O ATOM 1995 CB THR B 72 -6.261 2.698 6.082 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.315 3.286 5.346 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.378 1.196 5.943 1.00 0.00 C ATOM 0 H THR B 72 -7.778 4.635 7.749 1.00 0.00 H new ATOM 0 HA THR B 72 -6.048 2.331 8.181 1.00 0.00 H new ATOM 0 HB THR B 72 -5.291 3.005 5.692 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.991 4.097 4.902 1.00 0.00 H new ATOM 0 HG21 THR B 72 -6.352 0.925 4.888 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.548 0.717 6.462 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.319 0.862 6.380 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.637 5.512 7.609 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.716 6.627 7.808 1.00 0.00 C ATOM 2007 C TRP B 73 -4.610 6.960 9.294 1.00 0.00 C ATOM 2008 O TRP B 73 -4.930 8.070 9.720 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.157 7.875 7.028 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.071 7.603 5.869 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.109 8.381 5.459 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -6.030 6.488 4.973 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.719 7.822 4.364 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -7.074 6.658 4.047 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.214 5.366 4.865 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.318 5.745 3.028 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.457 4.458 3.855 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.498 4.651 2.949 1.00 0.00 C ATOM 0 H TRP B 73 -6.588 5.786 7.360 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.741 6.321 7.429 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.658 8.557 7.715 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.269 8.388 6.659 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.410 9.306 5.928 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.521 8.211 3.868 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.403 5.208 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -8.124 5.893 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.830 3.583 3.765 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.662 3.923 2.168 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.164 5.986 10.077 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.022 6.165 11.517 1.00 0.00 C ATOM 2031 C ASP B 74 -3.365 4.946 12.147 1.00 0.00 C ATOM 2032 O ASP B 74 -2.549 5.062 13.061 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.392 6.415 12.154 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.300 7.235 13.426 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.965 8.435 13.335 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -5.562 6.677 14.512 1.00 0.00 O ATOM 0 H ASP B 74 -3.894 5.062 9.739 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.385 7.031 11.696 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.033 6.931 11.439 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.866 5.459 12.375 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.713 3.782 11.627 1.00 0.00 N ATOM 2042 CA LEU B 75 -3.146 2.528 12.106 1.00 0.00 C ATOM 2043 C LEU B 75 -1.826 2.250 11.401 1.00 0.00 C ATOM 2044 O LEU B 75 -1.127 1.287 11.716 1.00 0.00 O ATOM 2045 CB LEU B 75 -4.121 1.353 11.916 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.844 1.267 10.565 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.867 2.381 10.424 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.856 1.302 9.409 1.00 0.00 C ATOM 0 H LEU B 75 -4.388 3.676 10.870 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.964 2.628 13.176 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.569 0.425 12.066 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.874 1.406 12.702 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.369 0.313 10.533 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.365 2.297 9.458 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.606 2.300 11.221 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -5.365 3.346 10.491 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -4.398 1.239 8.465 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -3.291 2.233 9.442 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -3.171 0.458 9.490 1.00 0.00 H new