USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 804 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 50 TYR OH : rot -117:sc= 0.248 USER MOD Set 1.2: B 31 TYR OH : rot -15:sc= -0.548 USER MOD Set 2.1: A 31 TYR OH : rot -15:sc= -0.399 USER MOD Set 2.2: B 50 TYR OH : rot -124:sc= 0.287 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0441) USER MOD Single : A 12 GLN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 173:sc= -1.52 (180deg=-1.63) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.236) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.725 (180deg=-1.58!) USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.511 USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00596) USER MOD Single : A 32 CYS SG : rot -110:sc= -4.09! USER MOD Single : A 34 LYS NZ :NH3+ -130:sc= 0.127 (180deg=-1.4!) USER MOD Single : A 35 ASN : amide:sc= 0.21 X(o=0.21,f=-0.019) USER MOD Single : A 36 ASN : amide:sc= -0.0439 K(o=-0.044,f=-1.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.483 F(o=-1.8!,f=-0.48) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.358 F(o=-4.5!,f=-0.36) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0392 (180deg=-0.251) USER MOD Single : A 55 ASN : amide:sc= 0.375 K(o=0.37,f=-9.2!) USER MOD Single : B 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0471) USER MOD Single : B 12 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.139) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl 172:sc= -1.45 (180deg=-1.52) USER MOD Single : B 22 LYS NZ :NH3+ -166:sc= -0.0136 (180deg=-0.196) USER MOD Single : B 25 LYS NZ :NH3+ -158:sc= -0.645 (180deg=-1.55!) USER MOD Single : B 26 THR OG1 : rot 71:sc= 0.448 USER MOD Single : B 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0178) USER MOD Single : B 32 CYS SG : rot 30:sc= -4.12! USER MOD Single : B 34 LYS NZ :NH3+ -134:sc= -0.0291 (180deg=-1.37!) USER MOD Single : B 35 ASN : amide:sc= 0.239 X(o=0.24,f=-0.011) USER MOD Single : B 36 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.2!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.123 USER MOD Single : B 41 GLN :FLIP amide:sc= -0.516 F(o=-1.9!,f=-0.52) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN :FLIP amide:sc= -0.348 F(o=-4.6!,f=-0.35) USER MOD Single : B 53 LYS NZ :NH3+ -166:sc= -0.0305 (180deg=-0.287) USER MOD Single : B 55 ASN : amide:sc= 0.356 K(o=0.36,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 -11.320 11.909 3.055 1.00 0.00 N ATOM 2 CA LYS A 11 -10.807 12.937 3.990 1.00 0.00 C ATOM 3 C LYS A 11 -10.811 12.406 5.418 1.00 0.00 C ATOM 4 O LYS A 11 -9.874 12.654 6.179 1.00 0.00 O ATOM 5 CB LYS A 11 -11.624 14.234 3.904 1.00 0.00 C ATOM 6 CG LYS A 11 -11.576 14.913 2.540 1.00 0.00 C ATOM 7 CD LYS A 11 -12.579 14.305 1.574 1.00 0.00 C ATOM 8 CE LYS A 11 -12.458 14.903 0.181 1.00 0.00 C ATOM 9 NZ LYS A 11 -11.220 14.463 -0.517 1.00 0.00 N ATOM 0 HA LYS A 11 -9.782 13.167 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.662 14.013 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.258 14.931 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.781 15.977 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.572 14.825 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.425 13.227 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.589 14.464 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.327 14.617 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.465 15.991 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.239 14.798 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.389 14.858 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.166 13.424 -0.506 1.00 0.00 H new ATOM 23 N GLN A 12 -11.867 11.678 5.787 1.00 0.00 N ATOM 24 CA GLN A 12 -11.904 11.029 7.090 1.00 0.00 C ATOM 25 C GLN A 12 -10.858 9.919 7.124 1.00 0.00 C ATOM 26 O GLN A 12 -10.722 9.150 6.166 1.00 0.00 O ATOM 27 CB GLN A 12 -13.302 10.478 7.403 1.00 0.00 C ATOM 28 CG GLN A 12 -13.743 9.336 6.501 1.00 0.00 C ATOM 29 CD GLN A 12 -15.094 8.778 6.898 1.00 0.00 C ATOM 30 OE1 GLN A 12 -16.131 9.212 6.402 1.00 0.00 O ATOM 31 NE2 GLN A 12 -15.092 7.818 7.807 1.00 0.00 N ATOM 0 H GLN A 12 -12.694 11.527 5.209 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.674 11.766 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.321 10.136 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.026 11.289 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.786 9.686 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.999 8.540 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.209 7.485 8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.973 7.411 8.120 1.00 0.00 H new ATOM 40 N LYS A 13 -10.119 9.842 8.218 1.00 0.00 N ATOM 41 CA LYS A 13 -8.961 8.965 8.277 1.00 0.00 C ATOM 42 C LYS A 13 -9.209 7.738 9.138 1.00 0.00 C ATOM 43 O LYS A 13 -10.100 7.717 9.991 1.00 0.00 O ATOM 44 CB LYS A 13 -7.727 9.720 8.786 1.00 0.00 C ATOM 45 CG LYS A 13 -7.912 10.362 10.150 1.00 0.00 C ATOM 46 CD LYS A 13 -6.588 10.879 10.687 1.00 0.00 C ATOM 47 CE LYS A 13 -6.740 11.605 12.015 1.00 0.00 C ATOM 48 NZ LYS A 13 -7.525 12.858 11.880 1.00 0.00 N ATOM 0 H LYS A 13 -10.298 10.371 9.071 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.777 8.623 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.885 9.029 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.465 10.494 8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.625 11.183 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.333 9.635 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.899 10.044 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.143 11.554 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.229 10.947 12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.753 11.837 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.462 13.404 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.144 13.424 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.520 12.625 11.687 1.00 0.00 H new ATOM 62 N ALA A 14 -8.415 6.715 8.878 1.00 0.00 N ATOM 63 CA ALA A 14 -8.428 5.484 9.643 1.00 0.00 C ATOM 64 C ALA A 14 -6.996 5.077 9.952 1.00 0.00 C ATOM 65 O ALA A 14 -6.056 5.670 9.428 1.00 0.00 O ATOM 66 CB ALA A 14 -9.129 4.386 8.862 1.00 0.00 C ATOM 0 H ALA A 14 -7.734 6.717 8.119 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.971 5.641 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.131 3.467 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.156 4.686 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.603 4.215 7.922 1.00 0.00 H new ATOM 72 N VAL A 15 -6.823 4.074 10.793 1.00 0.00 N ATOM 73 CA VAL A 15 -5.488 3.609 11.136 1.00 0.00 C ATOM 74 C VAL A 15 -5.253 2.247 10.513 1.00 0.00 C ATOM 75 O VAL A 15 -6.201 1.568 10.113 1.00 0.00 O ATOM 76 CB VAL A 15 -5.280 3.496 12.659 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.799 3.507 13.020 1.00 0.00 C ATOM 78 CG2 VAL A 15 -6.029 4.593 13.393 1.00 0.00 C ATOM 0 H VAL A 15 -7.582 3.568 11.249 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.781 4.344 10.751 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.689 2.538 12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.687 3.426 14.101 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.301 2.665 12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.348 4.438 12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.865 4.490 14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.666 5.566 13.062 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.095 4.512 13.179 1.00 0.00 H new ATOM 88 N PHE A 16 -4.000 1.851 10.435 1.00 0.00 N ATOM 89 CA PHE A 16 -3.646 0.571 9.863 1.00 0.00 C ATOM 90 C PHE A 16 -2.357 0.069 10.485 1.00 0.00 C ATOM 91 O PHE A 16 -1.331 0.742 10.424 1.00 0.00 O ATOM 92 CB PHE A 16 -3.492 0.709 8.351 1.00 0.00 C ATOM 93 CG PHE A 16 -3.721 -0.570 7.604 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.847 -1.334 7.855 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.827 -0.993 6.637 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.083 -2.498 7.150 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.054 -2.157 5.935 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.182 -2.910 6.189 1.00 0.00 C ATOM 0 H PHE A 16 -3.206 2.401 10.763 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.436 -0.151 10.070 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.194 1.461 7.990 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.490 1.075 8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.550 -1.016 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.944 -0.406 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.968 -3.083 7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.348 -2.480 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.360 -3.821 5.636 1.00 0.00 H new ATOM 108 N GLY A 17 -2.425 -1.099 11.100 1.00 0.00 N ATOM 109 CA GLY A 17 -1.262 -1.671 11.750 1.00 0.00 C ATOM 110 C GLY A 17 -1.021 -3.093 11.299 1.00 0.00 C ATOM 111 O GLY A 17 -1.624 -4.026 11.832 1.00 0.00 O ATOM 0 H GLY A 17 -3.270 -1.667 11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.384 -1.064 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.400 -1.649 12.831 1.00 0.00 H new ATOM 115 N ILE A 18 -0.146 -3.262 10.319 1.00 0.00 N ATOM 116 CA ILE A 18 0.071 -4.563 9.709 1.00 0.00 C ATOM 117 C ILE A 18 1.532 -4.963 9.760 1.00 0.00 C ATOM 118 O ILE A 18 2.391 -4.174 10.156 1.00 0.00 O ATOM 119 CB ILE A 18 -0.394 -4.582 8.245 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.358 -3.530 7.421 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.890 -4.343 8.185 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.173 -3.685 5.930 1.00 0.00 C ATOM 0 H ILE A 18 0.426 -2.512 9.929 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.519 -5.276 10.285 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.173 -5.559 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.021 -2.537 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.421 -3.589 7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.219 -4.357 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.406 -5.127 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.122 -3.374 8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.733 -2.907 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.537 -4.664 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.885 -3.596 5.683 1.00 0.00 H new ATOM 134 N TYR A 19 1.806 -6.194 9.351 1.00 0.00 N ATOM 135 CA TYR A 19 3.161 -6.710 9.327 1.00 0.00 C ATOM 136 C TYR A 19 3.572 -7.037 7.895 1.00 0.00 C ATOM 137 O TYR A 19 3.193 -8.074 7.349 1.00 0.00 O ATOM 138 CB TYR A 19 3.281 -7.953 10.211 1.00 0.00 C ATOM 139 CG TYR A 19 2.943 -7.701 11.663 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.805 -6.987 12.484 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.756 -8.175 12.212 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.497 -6.755 13.809 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.441 -7.943 13.539 1.00 0.00 C ATOM 144 CZ TYR A 19 2.318 -7.232 14.332 1.00 0.00 C ATOM 145 OH TYR A 19 2.018 -6.991 15.654 1.00 0.00 O ATOM 0 H TYR A 19 1.099 -6.856 9.030 1.00 0.00 H new ATOM 0 HA TYR A 19 3.830 -5.945 9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.621 -8.729 9.823 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.299 -8.338 10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.731 -6.607 12.079 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.069 -8.733 11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.181 -6.200 14.434 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.515 -8.316 13.951 1.00 0.00 H new ATOM 0 HH TYR A 19 1.150 -7.392 15.871 1.00 0.00 H new ATOM 155 N MET A 20 4.348 -6.148 7.304 1.00 0.00 N ATOM 156 CA MET A 20 4.754 -6.274 5.904 1.00 0.00 C ATOM 157 C MET A 20 6.267 -6.471 5.806 1.00 0.00 C ATOM 158 O MET A 20 6.993 -6.124 6.736 1.00 0.00 O ATOM 159 CB MET A 20 4.315 -5.024 5.117 1.00 0.00 C ATOM 160 CG MET A 20 4.915 -3.722 5.632 1.00 0.00 C ATOM 161 SD MET A 20 4.093 -2.260 4.954 1.00 0.00 S ATOM 162 CE MET A 20 4.490 -2.408 3.215 1.00 0.00 C ATOM 0 H MET A 20 4.717 -5.320 7.772 1.00 0.00 H new ATOM 0 HA MET A 20 4.268 -7.148 5.470 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.593 -5.151 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.228 -4.949 5.152 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.847 -3.700 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.974 -3.689 5.378 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.949 -1.648 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.562 -2.270 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.202 -3.397 2.859 1.00 0.00 H new ATOM 172 N ASP A 21 6.737 -7.039 4.691 1.00 0.00 N ATOM 173 CA ASP A 21 8.165 -7.299 4.496 1.00 0.00 C ATOM 174 C ASP A 21 8.992 -6.029 4.608 1.00 0.00 C ATOM 175 O ASP A 21 8.489 -4.920 4.405 1.00 0.00 O ATOM 176 CB ASP A 21 8.451 -7.943 3.134 1.00 0.00 C ATOM 177 CG ASP A 21 8.455 -9.464 3.172 1.00 0.00 C ATOM 178 OD1 ASP A 21 7.432 -10.066 3.548 1.00 0.00 O ATOM 179 OD2 ASP A 21 9.501 -10.061 2.822 1.00 0.00 O ATOM 0 H ASP A 21 6.148 -7.327 3.910 1.00 0.00 H new ATOM 0 HA ASP A 21 8.450 -7.990 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.702 -7.607 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.418 -7.594 2.771 1.00 0.00 H new ATOM 184 N LYS A 22 10.271 -6.192 4.898 1.00 0.00 N ATOM 185 CA LYS A 22 11.155 -5.061 5.055 1.00 0.00 C ATOM 186 C LYS A 22 11.525 -4.496 3.703 1.00 0.00 C ATOM 187 O LYS A 22 11.133 -3.393 3.380 1.00 0.00 O ATOM 188 CB LYS A 22 12.423 -5.452 5.817 1.00 0.00 C ATOM 189 CG LYS A 22 13.455 -4.336 5.881 1.00 0.00 C ATOM 190 CD LYS A 22 14.695 -4.744 6.660 1.00 0.00 C ATOM 191 CE LYS A 22 15.791 -3.694 6.547 1.00 0.00 C ATOM 192 NZ LYS A 22 16.345 -3.609 5.168 1.00 0.00 N ATOM 0 H LYS A 22 10.717 -7.100 5.029 1.00 0.00 H new ATOM 0 HA LYS A 22 10.628 -4.301 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.153 -5.746 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.870 -6.324 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.742 -4.050 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.009 -3.457 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.436 -4.891 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.064 -5.699 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.393 -2.722 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.593 -3.931 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.241 -3.081 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.515 -4.568 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.667 -3.119 4.551 1.00 0.00 H new ATOM 206 N ASP A 23 12.243 -5.290 2.912 1.00 0.00 N ATOM 207 CA ASP A 23 12.786 -4.853 1.620 1.00 0.00 C ATOM 208 C ASP A 23 11.752 -4.110 0.784 1.00 0.00 C ATOM 209 O ASP A 23 12.062 -3.118 0.130 1.00 0.00 O ATOM 210 CB ASP A 23 13.302 -6.056 0.833 1.00 0.00 C ATOM 211 CG ASP A 23 13.843 -5.666 -0.527 1.00 0.00 C ATOM 212 OD1 ASP A 23 15.013 -5.233 -0.604 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.103 -5.796 -1.525 1.00 0.00 O ATOM 0 H ASP A 23 12.467 -6.257 3.146 1.00 0.00 H new ATOM 0 HA ASP A 23 13.604 -4.165 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.087 -6.552 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.495 -6.778 0.707 1.00 0.00 H new ATOM 218 N LEU A 24 10.527 -4.595 0.833 1.00 0.00 N ATOM 219 CA LEU A 24 9.421 -4.009 0.107 1.00 0.00 C ATOM 220 C LEU A 24 9.012 -2.666 0.728 1.00 0.00 C ATOM 221 O LEU A 24 9.005 -1.643 0.039 1.00 0.00 O ATOM 222 CB LEU A 24 8.284 -5.039 0.090 1.00 0.00 C ATOM 223 CG LEU A 24 6.912 -4.591 -0.407 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.123 -4.047 0.759 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.022 -3.568 -1.532 1.00 0.00 C ATOM 0 H LEU A 24 10.271 -5.415 1.383 1.00 0.00 H new ATOM 0 HA LEU A 24 9.700 -3.778 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.604 -5.878 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.163 -5.418 1.105 1.00 0.00 H new ATOM 0 HG LEU A 24 6.390 -5.451 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.141 -3.724 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.005 -4.825 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.653 -3.199 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.023 -3.276 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.559 -2.690 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.562 -4.006 -2.371 1.00 0.00 H new ATOM 237 N LYS A 25 8.691 -2.662 2.020 1.00 0.00 N ATOM 238 CA LYS A 25 8.322 -1.428 2.704 1.00 0.00 C ATOM 239 C LYS A 25 9.491 -0.441 2.665 1.00 0.00 C ATOM 240 O LYS A 25 9.312 0.772 2.595 1.00 0.00 O ATOM 241 CB LYS A 25 7.964 -1.730 4.160 1.00 0.00 C ATOM 242 CG LYS A 25 7.247 -0.591 4.859 1.00 0.00 C ATOM 243 CD LYS A 25 7.034 -0.879 6.338 1.00 0.00 C ATOM 244 CE LYS A 25 8.208 -0.418 7.198 1.00 0.00 C ATOM 245 NZ LYS A 25 9.446 -1.206 6.959 1.00 0.00 N ATOM 0 H LYS A 25 8.679 -3.494 2.610 1.00 0.00 H new ATOM 0 HA LYS A 25 7.461 -0.989 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.334 -2.619 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.876 -1.965 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.826 0.326 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.283 -0.420 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.124 -0.382 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.883 -1.949 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.409 0.634 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.933 -0.494 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.059 -1.152 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.196 -2.199 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.950 -0.819 6.136 1.00 0.00 H new ATOM 259 N THR A 26 10.688 -1.002 2.693 1.00 0.00 N ATOM 260 CA THR A 26 11.928 -0.236 2.725 1.00 0.00 C ATOM 261 C THR A 26 12.218 0.379 1.363 1.00 0.00 C ATOM 262 O THR A 26 12.692 1.510 1.265 1.00 0.00 O ATOM 263 CB THR A 26 13.108 -1.132 3.178 1.00 0.00 C ATOM 264 OG1 THR A 26 12.908 -1.551 4.534 1.00 0.00 O ATOM 265 CG2 THR A 26 14.441 -0.406 3.061 1.00 0.00 C ATOM 0 H THR A 26 10.831 -2.012 2.694 1.00 0.00 H new ATOM 0 HA THR A 26 11.811 0.573 3.446 1.00 0.00 H new ATOM 0 HB THR A 26 13.137 -2.001 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.159 -2.182 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.245 -1.066 3.388 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.608 -0.117 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.426 0.485 3.688 1.00 0.00 H new ATOM 273 N ARG A 27 11.912 -0.370 0.317 1.00 0.00 N ATOM 274 CA ARG A 27 12.000 0.132 -1.046 1.00 0.00 C ATOM 275 C ARG A 27 11.147 1.388 -1.187 1.00 0.00 C ATOM 276 O ARG A 27 11.603 2.421 -1.677 1.00 0.00 O ATOM 277 CB ARG A 27 11.530 -0.955 -2.022 1.00 0.00 C ATOM 278 CG ARG A 27 11.110 -0.434 -3.382 1.00 0.00 C ATOM 279 CD ARG A 27 12.276 0.157 -4.163 1.00 0.00 C ATOM 280 NE ARG A 27 13.273 -0.855 -4.498 1.00 0.00 N ATOM 281 CZ ARG A 27 14.386 -0.614 -5.186 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.652 0.604 -5.640 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.231 -1.606 -5.430 1.00 0.00 N ATOM 0 H ARG A 27 11.597 -1.338 0.386 1.00 0.00 H new ATOM 0 HA ARG A 27 13.034 0.388 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.334 -1.679 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.691 -1.489 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.665 -1.246 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.339 0.326 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.904 0.618 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.743 0.947 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 27 13.105 -1.811 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.000 1.368 -5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.509 0.776 -6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.026 -2.546 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.086 -1.429 -5.957 1.00 0.00 H new ATOM 297 N LEU A 28 9.908 1.279 -0.746 1.00 0.00 N ATOM 298 CA LEU A 28 8.988 2.403 -0.717 1.00 0.00 C ATOM 299 C LEU A 28 9.507 3.516 0.199 1.00 0.00 C ATOM 300 O LEU A 28 9.332 4.696 -0.097 1.00 0.00 O ATOM 301 CB LEU A 28 7.619 1.902 -0.259 1.00 0.00 C ATOM 302 CG LEU A 28 6.445 2.869 -0.396 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.413 3.830 0.767 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.517 3.620 -1.715 1.00 0.00 C ATOM 0 H LEU A 28 9.509 0.407 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 28 8.901 2.830 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.382 1.000 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.698 1.611 0.789 1.00 0.00 H new ATOM 0 HG LEU A 28 5.521 2.290 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.570 4.512 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.305 3.272 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.341 4.402 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.671 4.303 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.447 4.187 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.485 2.909 -2.541 1.00 0.00 H new ATOM 316 N LYS A 29 10.142 3.141 1.305 1.00 0.00 N ATOM 317 CA LYS A 29 10.751 4.119 2.206 1.00 0.00 C ATOM 318 C LYS A 29 11.772 4.962 1.448 1.00 0.00 C ATOM 319 O LYS A 29 11.855 6.177 1.630 1.00 0.00 O ATOM 320 CB LYS A 29 11.393 3.401 3.409 1.00 0.00 C ATOM 321 CG LYS A 29 12.063 4.318 4.429 1.00 0.00 C ATOM 322 CD LYS A 29 13.471 4.713 4.007 1.00 0.00 C ATOM 323 CE LYS A 29 14.017 5.849 4.857 1.00 0.00 C ATOM 324 NZ LYS A 29 14.120 5.480 6.294 1.00 0.00 N ATOM 0 H LYS A 29 10.249 2.171 1.600 1.00 0.00 H new ATOM 0 HA LYS A 29 9.981 4.789 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.624 2.819 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.135 2.694 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.459 5.216 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.102 3.816 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.131 3.849 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.466 5.013 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.001 6.136 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.370 6.720 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.528 6.274 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.173 5.264 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.731 4.644 6.395 1.00 0.00 H new ATOM 338 N VAL A 30 12.527 4.309 0.582 1.00 0.00 N ATOM 339 CA VAL A 30 13.515 4.979 -0.250 1.00 0.00 C ATOM 340 C VAL A 30 12.842 5.848 -1.293 1.00 0.00 C ATOM 341 O VAL A 30 13.346 6.903 -1.676 1.00 0.00 O ATOM 342 CB VAL A 30 14.426 3.948 -0.924 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.433 4.614 -1.847 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.117 3.125 0.143 1.00 0.00 C ATOM 0 H VAL A 30 12.474 3.301 0.435 1.00 0.00 H new ATOM 0 HA VAL A 30 14.121 5.621 0.388 1.00 0.00 H new ATOM 0 HB VAL A 30 13.819 3.290 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.063 3.853 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.905 5.167 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.055 5.300 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.767 2.389 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.712 3.780 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.369 2.613 0.749 1.00 0.00 H new ATOM 354 N TYR A 31 11.689 5.404 -1.733 1.00 0.00 N ATOM 355 CA TYR A 31 10.870 6.176 -2.639 1.00 0.00 C ATOM 356 C TYR A 31 10.396 7.451 -1.945 1.00 0.00 C ATOM 357 O TYR A 31 10.357 8.530 -2.547 1.00 0.00 O ATOM 358 CB TYR A 31 9.683 5.336 -3.092 1.00 0.00 C ATOM 359 CG TYR A 31 8.736 6.071 -3.998 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.095 6.369 -5.298 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.485 6.462 -3.551 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.237 7.043 -6.132 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.618 7.138 -4.378 1.00 0.00 C ATOM 364 CZ TYR A 31 6.994 7.426 -5.671 1.00 0.00 C ATOM 365 OH TYR A 31 6.130 8.105 -6.501 1.00 0.00 O ATOM 0 H TYR A 31 11.292 4.501 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 31 11.454 6.456 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.052 4.450 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.138 4.990 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.065 6.067 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.186 6.233 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.534 7.272 -7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.647 7.441 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 31 6.621 8.443 -7.278 1.00 0.00 H new ATOM 375 N CYS A 32 10.071 7.318 -0.666 1.00 0.00 N ATOM 376 CA CYS A 32 9.645 8.448 0.148 1.00 0.00 C ATOM 377 C CYS A 32 10.835 9.327 0.512 1.00 0.00 C ATOM 378 O CYS A 32 10.676 10.469 0.919 1.00 0.00 O ATOM 379 CB CYS A 32 8.958 7.953 1.418 1.00 0.00 C ATOM 380 SG CYS A 32 7.523 6.911 1.110 1.00 0.00 S ATOM 0 H CYS A 32 10.095 6.429 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 32 8.938 9.041 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.679 7.395 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.650 8.813 2.012 1.00 0.00 H new ATOM 0 HG CYS A 32 6.442 7.550 1.448 1.00 0.00 H new ATOM 386 N ALA A 33 12.027 8.783 0.363 1.00 0.00 N ATOM 387 CA ALA A 33 13.242 9.535 0.608 1.00 0.00 C ATOM 388 C ALA A 33 13.646 10.297 -0.646 1.00 0.00 C ATOM 389 O ALA A 33 14.169 11.406 -0.576 1.00 0.00 O ATOM 390 CB ALA A 33 14.351 8.597 1.048 1.00 0.00 C ATOM 0 H ALA A 33 12.180 7.818 0.072 1.00 0.00 H new ATOM 0 HA ALA A 33 13.063 10.256 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.261 9.169 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.054 8.087 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.536 7.860 0.266 1.00 0.00 H new ATOM 396 N LYS A 34 13.383 9.687 -1.793 1.00 0.00 N ATOM 397 CA LYS A 34 13.706 10.280 -3.078 1.00 0.00 C ATOM 398 C LYS A 34 12.770 11.430 -3.404 1.00 0.00 C ATOM 399 O LYS A 34 13.204 12.501 -3.822 1.00 0.00 O ATOM 400 CB LYS A 34 13.631 9.218 -4.178 1.00 0.00 C ATOM 401 CG LYS A 34 14.024 9.733 -5.552 1.00 0.00 C ATOM 402 CD LYS A 34 13.779 8.705 -6.657 1.00 0.00 C ATOM 403 CE LYS A 34 14.749 7.529 -6.591 1.00 0.00 C ATOM 404 NZ LYS A 34 14.364 6.512 -5.573 1.00 0.00 N ATOM 0 H LYS A 34 12.941 8.770 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 34 14.721 10.674 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.282 8.385 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.615 8.826 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.459 10.639 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.078 10.009 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.757 8.333 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.870 9.192 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.801 7.053 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.748 7.902 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.185 6.294 -4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.593 6.886 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.045 5.645 -6.051 1.00 0.00 H new ATOM 418 N ASN A 35 11.485 11.207 -3.202 1.00 0.00 N ATOM 419 CA ASN A 35 10.485 12.216 -3.511 1.00 0.00 C ATOM 420 C ASN A 35 10.168 13.032 -2.278 1.00 0.00 C ATOM 421 O ASN A 35 9.298 13.901 -2.306 1.00 0.00 O ATOM 422 CB ASN A 35 9.205 11.559 -4.025 1.00 0.00 C ATOM 423 CG ASN A 35 9.405 10.846 -5.347 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.203 11.420 -6.415 1.00 0.00 O ATOM 425 ND2 ASN A 35 9.807 9.587 -5.285 1.00 0.00 N ATOM 0 H ASN A 35 11.108 10.337 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 35 10.887 12.870 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.844 10.846 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.432 12.319 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.960 9.058 -6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.964 9.146 -4.379 1.00 0.00 H new ATOM 432 N ASN A 36 10.889 12.738 -1.195 1.00 0.00 N ATOM 433 CA ASN A 36 10.615 13.343 0.111 1.00 0.00 C ATOM 434 C ASN A 36 9.148 13.155 0.516 1.00 0.00 C ATOM 435 O ASN A 36 8.601 13.939 1.294 1.00 0.00 O ATOM 436 CB ASN A 36 10.974 14.830 0.098 1.00 0.00 C ATOM 437 CG ASN A 36 12.469 15.075 0.161 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.220 14.286 0.736 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.912 16.176 -0.426 1.00 0.00 N ATOM 0 H ASN A 36 11.670 12.082 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 36 11.236 12.836 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.573 15.288 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.494 15.322 0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.908 16.396 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.257 16.804 -0.892 1.00 0.00 H new ATOM 446 N LEU A 37 8.520 12.112 -0.023 1.00 0.00 N ATOM 447 CA LEU A 37 7.126 11.802 0.275 1.00 0.00 C ATOM 448 C LEU A 37 6.967 11.247 1.679 1.00 0.00 C ATOM 449 O LEU A 37 7.937 10.838 2.321 1.00 0.00 O ATOM 450 CB LEU A 37 6.582 10.781 -0.724 1.00 0.00 C ATOM 451 CG LEU A 37 5.499 11.301 -1.670 1.00 0.00 C ATOM 452 CD1 LEU A 37 5.998 12.504 -2.451 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.051 10.195 -2.613 1.00 0.00 C ATOM 0 H LEU A 37 8.961 11.463 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 37 6.565 12.733 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.412 10.405 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.179 9.934 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 37 4.643 11.618 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.211 12.857 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.271 13.300 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.871 12.220 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.280 10.577 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.902 9.851 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.649 9.363 -2.034 1.00 0.00 H new ATOM 465 N GLN A 38 5.732 11.241 2.145 1.00 0.00 N ATOM 466 CA GLN A 38 5.395 10.643 3.421 1.00 0.00 C ATOM 467 C GLN A 38 5.129 9.162 3.229 1.00 0.00 C ATOM 468 O GLN A 38 4.433 8.787 2.286 1.00 0.00 O ATOM 469 CB GLN A 38 4.154 11.303 4.019 1.00 0.00 C ATOM 470 CG GLN A 38 4.335 12.774 4.330 1.00 0.00 C ATOM 471 CD GLN A 38 3.038 13.438 4.748 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.688 13.461 5.928 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.312 13.979 3.782 1.00 0.00 N ATOM 0 H GLN A 38 4.938 11.649 1.651 1.00 0.00 H new ATOM 0 HA GLN A 38 6.232 10.789 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.322 11.188 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.880 10.778 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.071 12.887 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.734 13.282 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.637 13.939 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.427 14.436 4.004 1.00 0.00 H new ATOM 482 N LEU A 39 5.690 8.338 4.100 1.00 0.00 N ATOM 483 CA LEU A 39 5.473 6.891 4.045 1.00 0.00 C ATOM 484 C LEU A 39 3.992 6.565 3.857 1.00 0.00 C ATOM 485 O LEU A 39 3.620 5.815 2.955 1.00 0.00 O ATOM 486 CB LEU A 39 5.992 6.223 5.319 1.00 0.00 C ATOM 487 CG LEU A 39 7.058 5.139 5.111 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.607 4.123 4.078 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.388 5.757 4.708 1.00 0.00 C ATOM 0 H LEU A 39 6.302 8.642 4.857 1.00 0.00 H new ATOM 0 HA LEU A 39 6.025 6.504 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.405 6.994 5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.147 5.780 5.846 1.00 0.00 H new ATOM 0 HG LEU A 39 7.195 4.620 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.381 3.366 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.686 3.647 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.430 4.625 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.127 4.969 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.265 6.310 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.726 6.435 5.491 1.00 0.00 H new ATOM 501 N THR A 40 3.155 7.162 4.690 1.00 0.00 N ATOM 502 CA THR A 40 1.722 6.925 4.638 1.00 0.00 C ATOM 503 C THR A 40 1.142 7.363 3.299 1.00 0.00 C ATOM 504 O THR A 40 0.396 6.619 2.664 1.00 0.00 O ATOM 505 CB THR A 40 1.001 7.679 5.770 1.00 0.00 C ATOM 506 OG1 THR A 40 1.660 7.438 7.021 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.455 7.257 5.875 1.00 0.00 C ATOM 0 H THR A 40 3.446 7.818 5.415 1.00 0.00 H new ATOM 0 HA THR A 40 1.566 5.853 4.761 1.00 0.00 H new ATOM 0 HB THR A 40 1.036 8.743 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.195 7.923 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.936 7.808 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.965 7.472 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.510 6.188 6.081 1.00 0.00 H new ATOM 515 N GLN A 41 1.506 8.570 2.877 1.00 0.00 N ATOM 516 CA GLN A 41 1.040 9.121 1.613 1.00 0.00 C ATOM 517 C GLN A 41 1.405 8.192 0.456 1.00 0.00 C ATOM 518 O GLN A 41 0.625 8.006 -0.477 1.00 0.00 O ATOM 519 CB GLN A 41 1.659 10.502 1.407 1.00 0.00 C ATOM 520 CG GLN A 41 1.014 11.315 0.298 1.00 0.00 C ATOM 521 CD GLN A 41 1.645 12.684 0.155 1.00 0.00 C ATOM 522 OE1 GLN A 41 2.634 12.791 -0.714 1.00 0.00 O flip ATOM 523 NE2 GLN A 41 1.235 13.640 0.812 1.00 0.00 N flip ATOM 0 H GLN A 41 2.128 9.188 3.398 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.046 9.214 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.589 11.062 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.719 10.383 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.102 10.775 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.051 11.427 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.468 13.513 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.662 14.559 0.696 1.00 0.00 H new ATOM 532 N ALA A 42 2.586 7.592 0.546 1.00 0.00 N ATOM 533 CA ALA A 42 3.062 6.659 -0.466 1.00 0.00 C ATOM 534 C ALA A 42 2.246 5.378 -0.459 1.00 0.00 C ATOM 535 O ALA A 42 1.850 4.891 -1.512 1.00 0.00 O ATOM 536 CB ALA A 42 4.518 6.344 -0.237 1.00 0.00 C ATOM 0 H ALA A 42 3.237 7.738 1.318 1.00 0.00 H new ATOM 0 HA ALA A 42 2.945 7.131 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.863 5.646 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.102 7.262 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.643 5.896 0.749 1.00 0.00 H new ATOM 542 N ILE A 43 2.003 4.830 0.732 1.00 0.00 N ATOM 543 CA ILE A 43 1.163 3.644 0.863 1.00 0.00 C ATOM 544 C ILE A 43 -0.206 3.896 0.252 1.00 0.00 C ATOM 545 O ILE A 43 -0.714 3.075 -0.504 1.00 0.00 O ATOM 546 CB ILE A 43 0.998 3.208 2.339 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.053 2.164 2.716 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.405 2.672 2.595 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.471 2.690 2.695 1.00 0.00 C ATOM 0 H ILE A 43 2.374 5.187 1.613 1.00 0.00 H new ATOM 0 HA ILE A 43 1.663 2.837 0.328 1.00 0.00 H new ATOM 0 HB ILE A 43 1.144 4.086 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.832 1.782 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.978 1.322 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.495 2.372 3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.137 3.449 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.588 1.810 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.159 1.892 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.713 3.045 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.564 3.513 3.404 1.00 0.00 H new ATOM 561 N GLU A 44 -0.788 5.039 0.582 1.00 0.00 N ATOM 562 CA GLU A 44 -2.108 5.398 0.081 1.00 0.00 C ATOM 563 C GLU A 44 -2.101 5.517 -1.438 1.00 0.00 C ATOM 564 O GLU A 44 -3.024 5.059 -2.097 1.00 0.00 O ATOM 565 CB GLU A 44 -2.588 6.701 0.713 1.00 0.00 C ATOM 566 CG GLU A 44 -2.777 6.615 2.216 1.00 0.00 C ATOM 567 CD GLU A 44 -3.398 7.866 2.794 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.659 8.833 3.074 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.632 7.887 2.967 1.00 0.00 O ATOM 0 H GLU A 44 -0.367 5.736 1.196 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.800 4.602 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.869 7.489 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.532 6.992 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.408 5.758 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.812 6.440 2.691 1.00 0.00 H new ATOM 576 N GLU A 45 -1.058 6.129 -1.984 1.00 0.00 N ATOM 577 CA GLU A 45 -0.871 6.182 -3.430 1.00 0.00 C ATOM 578 C GLU A 45 -0.705 4.773 -3.983 1.00 0.00 C ATOM 579 O GLU A 45 -1.269 4.425 -5.017 1.00 0.00 O ATOM 580 CB GLU A 45 0.367 7.014 -3.780 1.00 0.00 C ATOM 581 CG GLU A 45 0.205 8.509 -3.561 1.00 0.00 C ATOM 582 CD GLU A 45 -0.479 9.198 -4.724 1.00 0.00 C ATOM 583 OE1 GLU A 45 0.227 9.629 -5.664 1.00 0.00 O ATOM 584 OE2 GLU A 45 -1.719 9.325 -4.700 1.00 0.00 O ATOM 0 H GLU A 45 -0.327 6.596 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.750 6.648 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.207 6.661 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.623 6.838 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.373 8.679 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.186 8.958 -3.404 1.00 0.00 H new ATOM 591 N ALA A 46 0.059 3.962 -3.259 1.00 0.00 N ATOM 592 CA ALA A 46 0.332 2.597 -3.664 1.00 0.00 C ATOM 593 C ALA A 46 -0.948 1.796 -3.745 1.00 0.00 C ATOM 594 O ALA A 46 -1.261 1.206 -4.775 1.00 0.00 O ATOM 595 CB ALA A 46 1.295 1.939 -2.685 1.00 0.00 C ATOM 0 H ALA A 46 0.502 4.234 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 46 0.790 2.620 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.491 0.914 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.231 2.498 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.853 1.933 -1.689 1.00 0.00 H new ATOM 601 N ILE A 47 -1.691 1.802 -2.652 1.00 0.00 N ATOM 602 CA ILE A 47 -2.909 1.049 -2.550 1.00 0.00 C ATOM 603 C ILE A 47 -3.999 1.644 -3.445 1.00 0.00 C ATOM 604 O ILE A 47 -4.908 0.944 -3.885 1.00 0.00 O ATOM 605 CB ILE A 47 -3.360 0.986 -1.076 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.559 0.065 -0.907 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.670 2.371 -0.542 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.885 -0.212 0.540 1.00 0.00 C ATOM 0 H ILE A 47 -1.458 2.334 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.727 0.033 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.534 0.575 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.427 0.514 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.362 -0.878 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.985 2.297 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.778 2.994 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.470 2.818 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.749 -0.874 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.030 -0.688 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.112 0.725 1.048 1.00 0.00 H new ATOM 620 N LYS A 48 -3.882 2.934 -3.737 1.00 0.00 N ATOM 621 CA LYS A 48 -4.824 3.603 -4.620 1.00 0.00 C ATOM 622 C LYS A 48 -4.623 3.131 -6.056 1.00 0.00 C ATOM 623 O LYS A 48 -5.529 2.552 -6.659 1.00 0.00 O ATOM 624 CB LYS A 48 -4.638 5.119 -4.532 1.00 0.00 C ATOM 625 CG LYS A 48 -5.495 5.930 -5.497 1.00 0.00 C ATOM 626 CD LYS A 48 -6.788 6.431 -4.866 1.00 0.00 C ATOM 627 CE LYS A 48 -7.811 5.325 -4.673 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.073 5.851 -4.088 1.00 0.00 N ATOM 0 H LYS A 48 -3.143 3.536 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.838 3.354 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.862 5.439 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.589 5.353 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.919 6.782 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.735 5.316 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.564 6.886 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.216 7.211 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.022 4.851 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.399 4.555 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.751 5.072 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.874 6.282 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.478 6.568 -4.723 1.00 0.00 H new ATOM 642 N GLU A 49 -3.424 3.370 -6.589 1.00 0.00 N ATOM 643 CA GLU A 49 -3.075 2.929 -7.933 1.00 0.00 C ATOM 644 C GLU A 49 -3.220 1.423 -8.071 1.00 0.00 C ATOM 645 O GLU A 49 -3.398 0.906 -9.170 1.00 0.00 O ATOM 646 CB GLU A 49 -1.638 3.339 -8.293 1.00 0.00 C ATOM 647 CG GLU A 49 -1.507 4.738 -8.891 1.00 0.00 C ATOM 648 CD GLU A 49 -1.800 5.856 -7.914 1.00 0.00 C ATOM 649 OE1 GLU A 49 -2.986 6.146 -7.673 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.838 6.477 -7.417 1.00 0.00 O ATOM 0 H GLU A 49 -2.678 3.869 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.766 3.415 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.022 3.283 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.235 2.616 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.496 4.863 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.186 4.824 -9.740 1.00 0.00 H new ATOM 657 N TYR A 50 -3.166 0.733 -6.951 1.00 0.00 N ATOM 658 CA TYR A 50 -3.254 -0.703 -6.931 1.00 0.00 C ATOM 659 C TYR A 50 -4.648 -1.157 -7.307 1.00 0.00 C ATOM 660 O TYR A 50 -4.822 -1.996 -8.188 1.00 0.00 O ATOM 661 CB TYR A 50 -2.894 -1.200 -5.545 1.00 0.00 C ATOM 662 CG TYR A 50 -3.050 -2.678 -5.359 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.278 -3.562 -6.081 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.950 -3.178 -4.437 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.392 -4.920 -5.893 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.078 -4.541 -4.239 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.295 -5.409 -4.971 1.00 0.00 C ATOM 668 OH TYR A 50 -3.414 -6.766 -4.781 1.00 0.00 O ATOM 0 H TYR A 50 -3.060 1.158 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.558 -1.117 -7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.861 -0.926 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.518 -0.686 -4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.573 -3.183 -6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.561 -2.496 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.778 -5.600 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.785 -4.922 -3.517 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.317 -7.053 -5.029 1.00 0.00 H new ATOM 678 N LEU A 51 -5.635 -0.593 -6.632 1.00 0.00 N ATOM 679 CA LEU A 51 -7.022 -0.905 -6.918 1.00 0.00 C ATOM 680 C LEU A 51 -7.383 -0.553 -8.351 1.00 0.00 C ATOM 681 O LEU A 51 -8.157 -1.258 -8.988 1.00 0.00 O ATOM 682 CB LEU A 51 -7.960 -0.185 -5.957 1.00 0.00 C ATOM 683 CG LEU A 51 -8.327 -0.957 -4.685 1.00 0.00 C ATOM 684 CD1 LEU A 51 -7.973 -2.431 -4.811 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.657 -0.333 -3.472 1.00 0.00 C ATOM 0 H LEU A 51 -5.500 0.084 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.143 -1.980 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.499 0.759 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.879 0.059 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.407 -0.892 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.246 -2.951 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.518 -2.866 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.901 -2.535 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.929 -0.894 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.575 -0.358 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.986 0.701 -3.366 1.00 0.00 H new ATOM 697 N GLN A 52 -6.810 0.525 -8.862 1.00 0.00 N ATOM 698 CA GLN A 52 -7.094 0.941 -10.231 1.00 0.00 C ATOM 699 C GLN A 52 -6.370 0.055 -11.236 1.00 0.00 C ATOM 700 O GLN A 52 -6.906 -0.259 -12.298 1.00 0.00 O ATOM 701 CB GLN A 52 -6.726 2.409 -10.463 1.00 0.00 C ATOM 702 CG GLN A 52 -7.823 3.390 -10.077 1.00 0.00 C ATOM 703 CD GLN A 52 -8.071 3.450 -8.584 1.00 0.00 C ATOM 704 OE1 GLN A 52 -7.371 4.344 -7.910 1.00 0.00 O flip ATOM 705 NE2 GLN A 52 -8.891 2.708 -8.042 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.154 1.123 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.168 0.833 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.827 2.642 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.481 2.550 -11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.555 4.384 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.747 3.108 -10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.412 2.030 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.049 2.771 -7.036 1.00 0.00 H new ATOM 714 N LYS A 53 -5.158 -0.355 -10.892 1.00 0.00 N ATOM 715 CA LYS A 53 -4.379 -1.246 -11.741 1.00 0.00 C ATOM 716 C LYS A 53 -4.989 -2.635 -11.741 1.00 0.00 C ATOM 717 O LYS A 53 -4.750 -3.438 -12.640 1.00 0.00 O ATOM 718 CB LYS A 53 -2.935 -1.314 -11.250 1.00 0.00 C ATOM 719 CG LYS A 53 -2.021 -2.118 -12.152 1.00 0.00 C ATOM 720 CD LYS A 53 -0.631 -2.249 -11.558 1.00 0.00 C ATOM 721 CE LYS A 53 0.293 -3.053 -12.458 1.00 0.00 C ATOM 722 NZ LYS A 53 -0.237 -4.417 -12.727 1.00 0.00 N ATOM 0 H LYS A 53 -4.691 -0.084 -10.027 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.389 -0.854 -12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.543 -0.301 -11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.921 -1.750 -10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.445 -3.109 -12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.957 -1.638 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.209 -1.257 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.696 -2.730 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.429 -2.525 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.275 -3.131 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.515 -5.007 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.565 -4.844 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.031 -4.355 -13.395 1.00 0.00 H new ATOM 736 N ARG A 54 -5.796 -2.901 -10.737 1.00 0.00 N ATOM 737 CA ARG A 54 -6.348 -4.212 -10.544 1.00 0.00 C ATOM 738 C ARG A 54 -7.817 -4.238 -10.964 1.00 0.00 C ATOM 739 O ARG A 54 -8.150 -4.727 -12.046 1.00 0.00 O ATOM 740 CB ARG A 54 -6.203 -4.596 -9.078 1.00 0.00 C ATOM 741 CG ARG A 54 -5.789 -6.041 -8.848 1.00 0.00 C ATOM 742 CD ARG A 54 -4.276 -6.203 -8.910 1.00 0.00 C ATOM 743 NE ARG A 54 -3.820 -7.433 -8.257 1.00 0.00 N ATOM 744 CZ ARG A 54 -2.554 -7.655 -7.882 1.00 0.00 C ATOM 745 NH1 ARG A 54 -1.603 -6.786 -8.210 1.00 0.00 N ATOM 746 NH2 ARG A 54 -2.241 -8.751 -7.196 1.00 0.00 N ATOM 0 H ARG A 54 -6.083 -2.215 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.810 -4.931 -11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.466 -3.941 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.152 -4.417 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.152 -6.375 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.256 -6.679 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.956 -6.208 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.801 -5.345 -8.435 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.508 -8.164 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.838 -5.951 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.638 -6.954 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.967 -9.426 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.275 -8.917 -6.912 1.00 0.00 H new ATOM 760 N ASN A 55 -8.677 -3.669 -10.118 1.00 0.00 N ATOM 761 CA ASN A 55 -10.124 -3.655 -10.338 1.00 0.00 C ATOM 762 C ASN A 55 -10.858 -2.984 -9.171 1.00 0.00 C ATOM 763 O ASN A 55 -11.626 -2.041 -9.371 1.00 0.00 O ATOM 764 CB ASN A 55 -10.685 -5.071 -10.577 1.00 0.00 C ATOM 765 CG ASN A 55 -10.097 -6.143 -9.670 1.00 0.00 C ATOM 766 OD1 ASN A 55 -9.712 -5.887 -8.529 1.00 0.00 O ATOM 767 ND2 ASN A 55 -10.018 -7.363 -10.178 1.00 0.00 N ATOM 0 H ASN A 55 -8.388 -3.203 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.298 -3.070 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.766 -5.048 -10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.502 -5.350 -11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.629 -8.123 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.346 -7.542 -11.127 1.00 0.00 H new ATOM 774 N GLY A 56 -10.620 -3.470 -7.959 1.00 0.00 N ATOM 775 CA GLY A 56 -11.244 -2.890 -6.791 1.00 0.00 C ATOM 776 C GLY A 56 -12.444 -3.682 -6.319 1.00 0.00 C ATOM 777 O GLY A 56 -12.445 -4.922 -6.474 1.00 0.00 O ATOM 778 OXT GLY A 56 -13.395 -3.064 -5.793 1.00 0.00 O ATOM 0 H GLY A 56 -10.003 -4.259 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.513 -2.830 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.553 -1.870 -7.018 1.00 0.00 H new TER 782 GLY A 56 ATOM 783 N LYS B 11 11.304 -11.897 3.264 1.00 0.00 N ATOM 784 CA LYS B 11 10.780 -12.911 4.204 1.00 0.00 C ATOM 785 C LYS B 11 10.783 -12.368 5.626 1.00 0.00 C ATOM 786 O LYS B 11 9.849 -12.615 6.390 1.00 0.00 O ATOM 787 CB LYS B 11 11.590 -14.213 4.135 1.00 0.00 C ATOM 788 CG LYS B 11 11.546 -14.907 2.777 1.00 0.00 C ATOM 789 CD LYS B 11 12.554 -14.309 1.808 1.00 0.00 C ATOM 790 CE LYS B 11 12.447 -14.918 0.419 1.00 0.00 C ATOM 791 NZ LYS B 11 11.205 -14.499 -0.283 1.00 0.00 N ATOM 0 HA LYS B 11 9.755 -13.136 3.910 1.00 0.00 H new ATOM 0 HB2 LYS B 11 12.628 -13.995 4.385 1.00 0.00 H new ATOM 0 HB3 LYS B 11 11.216 -14.901 4.894 1.00 0.00 H new ATOM 0 HG2 LYS B 11 11.750 -15.970 2.905 1.00 0.00 H new ATOM 0 HG3 LYS B 11 10.543 -14.823 2.357 1.00 0.00 H new ATOM 0 HD2 LYS B 11 12.399 -13.232 1.744 1.00 0.00 H new ATOM 0 HD3 LYS B 11 13.562 -14.463 2.194 1.00 0.00 H new ATOM 0 HE2 LYS B 11 13.314 -14.624 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS B 11 12.469 -16.005 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.230 -14.840 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.379 -14.903 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.137 -13.461 -0.278 1.00 0.00 H new ATOM 805 N GLN B 12 11.834 -11.635 5.990 1.00 0.00 N ATOM 806 CA GLN B 12 11.862 -10.972 7.288 1.00 0.00 C ATOM 807 C GLN B 12 10.818 -9.860 7.307 1.00 0.00 C ATOM 808 O GLN B 12 10.689 -9.100 6.341 1.00 0.00 O ATOM 809 CB GLN B 12 13.257 -10.421 7.604 1.00 0.00 C ATOM 810 CG GLN B 12 13.709 -9.290 6.695 1.00 0.00 C ATOM 811 CD GLN B 12 15.058 -8.734 7.098 1.00 0.00 C ATOM 812 OE1 GLN B 12 16.096 -9.181 6.611 1.00 0.00 O ATOM 813 NE2 GLN B 12 15.056 -7.766 8.000 1.00 0.00 N ATOM 0 H GLN B 12 12.663 -11.488 5.414 1.00 0.00 H new ATOM 0 HA GLN B 12 11.624 -11.702 8.062 1.00 0.00 H new ATOM 0 HB2 GLN B 12 13.269 -10.068 8.635 1.00 0.00 H new ATOM 0 HB3 GLN B 12 13.979 -11.235 7.537 1.00 0.00 H new ATOM 0 HG2 GLN B 12 13.759 -9.650 5.668 1.00 0.00 H new ATOM 0 HG3 GLN B 12 12.968 -8.491 6.717 1.00 0.00 H new ATOM 0 HE21 GLN B 12 14.173 -7.424 8.379 1.00 0.00 H new ATOM 0 HE22 GLN B 12 15.937 -7.362 8.316 1.00 0.00 H new ATOM 822 N LYS B 13 10.073 -9.770 8.395 1.00 0.00 N ATOM 823 CA LYS B 13 8.916 -8.890 8.430 1.00 0.00 C ATOM 824 C LYS B 13 9.159 -7.654 9.282 1.00 0.00 C ATOM 825 O LYS B 13 10.047 -7.627 10.137 1.00 0.00 O ATOM 826 CB LYS B 13 7.680 -9.639 8.936 1.00 0.00 C ATOM 827 CG LYS B 13 7.854 -10.260 10.312 1.00 0.00 C ATOM 828 CD LYS B 13 6.527 -10.769 10.849 1.00 0.00 C ATOM 829 CE LYS B 13 6.674 -11.488 12.184 1.00 0.00 C ATOM 830 NZ LYS B 13 7.465 -12.741 12.057 1.00 0.00 N ATOM 0 H LYS B 13 10.245 -10.288 9.257 1.00 0.00 H new ATOM 0 HA LYS B 13 8.741 -8.558 7.407 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.836 -8.950 8.964 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.427 -10.424 8.224 1.00 0.00 H new ATOM 0 HG2 LYS B 13 8.568 -11.082 10.257 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.270 -9.522 10.998 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.840 -9.930 10.965 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.081 -11.448 10.122 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.157 -10.825 12.902 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.686 -11.721 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.386 -13.292 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.100 -13.303 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.463 -12.505 11.885 1.00 0.00 H new ATOM 844 N ALA B 14 8.365 -6.632 9.011 1.00 0.00 N ATOM 845 CA ALA B 14 8.379 -5.393 9.761 1.00 0.00 C ATOM 846 C ALA B 14 6.946 -4.980 10.056 1.00 0.00 C ATOM 847 O ALA B 14 6.010 -5.576 9.529 1.00 0.00 O ATOM 848 CB ALA B 14 9.087 -4.308 8.967 1.00 0.00 C ATOM 0 H ALA B 14 7.683 -6.642 8.252 1.00 0.00 H new ATOM 0 HA ALA B 14 8.917 -5.537 10.698 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.091 -3.381 9.541 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.113 -4.615 8.766 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.565 -4.148 8.024 1.00 0.00 H new ATOM 854 N VAL B 15 6.766 -3.970 10.883 1.00 0.00 N ATOM 855 CA VAL B 15 5.428 -3.501 11.214 1.00 0.00 C ATOM 856 C VAL B 15 5.198 -2.145 10.575 1.00 0.00 C ATOM 857 O VAL B 15 6.150 -1.470 10.176 1.00 0.00 O ATOM 858 CB VAL B 15 5.214 -3.370 12.734 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.733 -3.376 13.086 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.955 -4.461 13.486 1.00 0.00 C ATOM 0 H VAL B 15 7.522 -3.458 11.338 1.00 0.00 H new ATOM 0 HA VAL B 15 4.722 -4.239 10.834 1.00 0.00 H new ATOM 0 HB VAL B 15 5.625 -2.409 13.043 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.615 -3.282 14.166 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.238 -2.539 12.593 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.283 -4.311 12.752 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.786 -4.344 14.556 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.589 -5.437 13.165 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.022 -4.387 13.277 1.00 0.00 H new ATOM 870 N PHE B 16 3.947 -1.746 10.486 1.00 0.00 N ATOM 871 CA PHE B 16 3.604 -0.471 9.898 1.00 0.00 C ATOM 872 C PHE B 16 2.311 0.040 10.506 1.00 0.00 C ATOM 873 O PHE B 16 1.286 -0.634 10.447 1.00 0.00 O ATOM 874 CB PHE B 16 3.459 -0.624 8.387 1.00 0.00 C ATOM 875 CG PHE B 16 3.696 0.644 7.626 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.823 1.410 7.874 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.809 1.058 6.650 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.063 2.566 7.158 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.042 2.214 5.935 1.00 0.00 C ATOM 880 CZ PHE B 16 4.169 2.969 6.188 1.00 0.00 C ATOM 0 H PHE B 16 3.149 -2.289 10.815 1.00 0.00 H new ATOM 0 HA PHE B 16 4.396 0.249 10.102 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.160 -1.382 8.039 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.457 -0.990 8.163 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.522 1.099 8.636 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.926 0.471 6.446 1.00 0.00 H new ATOM 0 HE1 PHE B 16 5.948 3.153 7.357 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.341 2.529 5.176 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.351 3.874 5.627 1.00 0.00 H new ATOM 890 N GLY B 17 2.378 1.215 11.111 1.00 0.00 N ATOM 891 CA GLY B 17 1.212 1.795 11.744 1.00 0.00 C ATOM 892 C GLY B 17 0.975 3.210 11.273 1.00 0.00 C ATOM 893 O GLY B 17 1.579 4.151 11.788 1.00 0.00 O ATOM 0 H GLY B 17 3.224 1.781 11.175 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.336 1.185 11.524 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.342 1.787 12.826 1.00 0.00 H new ATOM 897 N ILE B 18 0.105 3.368 10.289 1.00 0.00 N ATOM 898 CA ILE B 18 -0.106 4.664 9.665 1.00 0.00 C ATOM 899 C ILE B 18 -1.569 5.066 9.705 1.00 0.00 C ATOM 900 O ILE B 18 -2.431 4.282 10.102 1.00 0.00 O ATOM 901 CB ILE B 18 0.368 4.666 8.204 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.381 3.608 7.387 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.863 4.422 8.157 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.181 3.739 5.896 1.00 0.00 C ATOM 0 H ILE B 18 -0.466 2.615 9.905 1.00 0.00 H new ATOM 0 HA ILE B 18 0.481 5.384 10.235 1.00 0.00 H new ATOM 0 HB ILE B 18 0.152 5.639 7.762 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -0.053 2.618 7.703 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.446 3.677 7.609 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.199 4.423 7.120 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.378 5.210 8.707 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.089 3.457 8.610 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.741 2.957 5.384 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.536 4.715 5.566 1.00 0.00 H new ATOM 0 HD13 ILE B 18 0.879 3.640 5.661 1.00 0.00 H new ATOM 916 N TYR B 19 -1.838 6.292 9.283 1.00 0.00 N ATOM 917 CA TYR B 19 -3.194 6.805 9.243 1.00 0.00 C ATOM 918 C TYR B 19 -3.592 7.120 7.806 1.00 0.00 C ATOM 919 O TYR B 19 -3.199 8.149 7.254 1.00 0.00 O ATOM 920 CB TYR B 19 -3.320 8.059 10.110 1.00 0.00 C ATOM 921 CG TYR B 19 -2.988 7.825 11.566 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.853 7.117 12.394 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.804 8.305 12.112 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.546 6.899 13.723 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.492 8.088 13.441 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.367 7.385 14.241 1.00 0.00 C ATOM 927 OH TYR B 19 -2.059 7.159 15.565 1.00 0.00 O ATOM 0 H TYR B 19 -1.129 6.951 8.962 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.865 6.042 9.638 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.660 8.831 9.715 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.338 8.441 10.035 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.778 6.732 11.992 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.116 8.857 11.488 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.229 6.349 14.354 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.567 8.467 13.850 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.192 7.566 15.773 1.00 0.00 H new ATOM 937 N MET B 20 -4.365 6.226 7.216 1.00 0.00 N ATOM 938 CA MET B 20 -4.764 6.339 5.814 1.00 0.00 C ATOM 939 C MET B 20 -6.277 6.537 5.706 1.00 0.00 C ATOM 940 O MET B 20 -7.011 6.197 6.634 1.00 0.00 O ATOM 941 CB MET B 20 -4.322 5.082 5.043 1.00 0.00 C ATOM 942 CG MET B 20 -4.925 3.784 5.568 1.00 0.00 C ATOM 943 SD MET B 20 -4.102 2.315 4.910 1.00 0.00 S ATOM 944 CE MET B 20 -4.489 2.447 3.167 1.00 0.00 C ATOM 0 H MET B 20 -4.736 5.402 7.689 1.00 0.00 H new ATOM 0 HA MET B 20 -4.276 7.208 5.373 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.594 5.198 3.994 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.235 5.008 5.084 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.863 3.773 6.656 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.983 3.749 5.309 1.00 0.00 H new ATOM 0 HE1 MET B 20 -3.932 1.692 2.612 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.558 2.292 3.019 1.00 0.00 H new ATOM 0 HE3 MET B 20 -4.213 3.438 2.807 1.00 0.00 H new ATOM 954 N ASP B 21 -6.739 7.094 4.583 1.00 0.00 N ATOM 955 CA ASP B 21 -8.166 7.356 4.381 1.00 0.00 C ATOM 956 C ASP B 21 -8.995 6.087 4.496 1.00 0.00 C ATOM 957 O ASP B 21 -8.493 4.977 4.303 1.00 0.00 O ATOM 958 CB ASP B 21 -8.439 7.989 3.016 1.00 0.00 C ATOM 959 CG ASP B 21 -8.421 9.508 3.037 1.00 0.00 C ATOM 960 OD1 ASP B 21 -7.376 10.102 3.365 1.00 0.00 O ATOM 961 OD2 ASP B 21 -9.461 10.115 2.702 1.00 0.00 O ATOM 0 H ASP B 21 -6.146 7.372 3.801 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.456 8.051 5.169 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.693 7.635 2.305 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.410 7.650 2.655 1.00 0.00 H new ATOM 966 N LYS B 22 -10.276 6.254 4.776 1.00 0.00 N ATOM 967 CA LYS B 22 -11.161 5.124 4.938 1.00 0.00 C ATOM 968 C LYS B 22 -11.525 4.548 3.590 1.00 0.00 C ATOM 969 O LYS B 22 -11.132 3.441 3.280 1.00 0.00 O ATOM 970 CB LYS B 22 -12.432 5.526 5.688 1.00 0.00 C ATOM 971 CG LYS B 22 -13.462 4.410 5.759 1.00 0.00 C ATOM 972 CD LYS B 22 -14.702 4.828 6.530 1.00 0.00 C ATOM 973 CE LYS B 22 -15.803 3.786 6.421 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.360 3.706 5.044 1.00 0.00 N ATOM 0 H LYS B 22 -10.722 7.163 4.895 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.638 4.368 5.524 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -12.168 5.833 6.700 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.877 6.392 5.198 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.746 4.114 4.749 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -13.017 3.536 6.234 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -14.446 4.980 7.579 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -15.064 5.783 6.149 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.410 2.811 6.710 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -16.602 4.028 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.251 3.169 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.541 4.666 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -15.679 3.227 4.421 1.00 0.00 H new ATOM 988 N ASP B 23 -12.234 5.336 2.787 1.00 0.00 N ATOM 989 CA ASP B 23 -12.773 4.881 1.498 1.00 0.00 C ATOM 990 C ASP B 23 -11.733 4.126 0.680 1.00 0.00 C ATOM 991 O ASP B 23 -12.034 3.123 0.042 1.00 0.00 O ATOM 992 CB ASP B 23 -13.291 6.068 0.688 1.00 0.00 C ATOM 993 CG ASP B 23 -13.846 5.648 -0.660 1.00 0.00 C ATOM 994 OD1 ASP B 23 -15.022 5.218 -0.713 1.00 0.00 O ATOM 995 OD2 ASP B 23 -13.114 5.739 -1.670 1.00 0.00 O ATOM 0 H ASP B 23 -12.454 6.308 3.006 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.594 4.198 1.717 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.069 6.580 1.255 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.482 6.783 0.538 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.506 4.611 0.730 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.400 4.018 0.013 1.00 0.00 C ATOM 1002 C LEU B 24 -8.994 2.680 0.647 1.00 0.00 C ATOM 1003 O LEU B 24 -8.980 1.650 -0.032 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.262 5.047 -0.005 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.886 4.595 -0.489 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.105 4.060 0.688 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -6.991 3.561 -1.607 1.00 0.00 C ATOM 0 H LEU B 24 -10.250 5.435 1.275 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.676 3.778 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.578 5.881 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.148 5.434 1.007 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.359 5.450 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.120 3.734 0.353 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.993 4.844 1.437 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.638 3.215 1.124 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.991 3.265 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.531 2.686 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.527 3.993 -2.453 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.684 2.687 1.944 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.320 1.459 2.646 1.00 0.00 C ATOM 1021 C LYS B 25 -9.491 0.475 2.615 1.00 0.00 C ATOM 1022 O LYS B 25 -9.313 -0.740 2.575 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.969 1.777 4.099 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.255 0.648 4.812 1.00 0.00 C ATOM 1025 CD LYS B 25 -7.052 0.951 6.289 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.227 0.495 7.148 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.463 1.288 6.911 1.00 0.00 N ATOM 0 H LYS B 25 -8.678 3.525 2.526 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.457 1.013 2.151 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.341 2.667 4.126 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.884 2.017 4.641 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.831 -0.271 4.705 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.288 0.474 4.340 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.142 0.461 6.635 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.906 2.023 6.419 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.432 -0.556 6.945 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.951 0.569 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.091 1.208 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.212 2.286 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.952 0.925 6.068 1.00 0.00 H new ATOM 1041 N THR B 26 -10.686 1.039 2.625 1.00 0.00 N ATOM 1042 CA THR B 26 -11.927 0.276 2.662 1.00 0.00 C ATOM 1043 C THR B 26 -12.208 -0.354 1.303 1.00 0.00 C ATOM 1044 O THR B 26 -12.680 -1.486 1.215 1.00 0.00 O ATOM 1045 CB THR B 26 -13.111 1.178 3.095 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.928 1.611 4.449 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.445 0.455 2.973 1.00 0.00 C ATOM 0 H THR B 26 -10.826 2.049 2.608 1.00 0.00 H new ATOM 0 HA THR B 26 -11.816 -0.521 3.397 1.00 0.00 H new ATOM 0 HB THR B 26 -13.128 2.039 2.427 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.189 2.253 4.490 1.00 0.00 H new ATOM 0 HG21 THR B 26 -15.250 1.121 3.286 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.603 0.156 1.937 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.439 -0.430 3.609 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.897 0.385 0.254 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.976 -0.129 -1.107 1.00 0.00 C ATOM 1057 C ARG B 27 -11.129 -1.390 -1.228 1.00 0.00 C ATOM 1058 O ARG B 27 -11.588 -2.428 -1.705 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.491 0.946 -2.089 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.064 0.411 -3.442 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.226 -0.180 -4.226 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.224 0.833 -4.579 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.329 0.584 -5.278 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.591 -0.643 -5.717 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.174 1.570 -5.540 1.00 0.00 N ATOM 0 H ARG B 27 -11.584 1.354 0.317 1.00 0.00 H new ATOM 0 HA ARG B 27 -13.009 -0.381 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.289 1.674 -2.235 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.652 1.478 -1.641 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.611 1.216 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.298 -0.352 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.849 -0.649 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.699 -0.965 -3.636 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.061 1.791 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -13.942 -1.405 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.441 -0.823 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -14.976 2.513 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.023 1.386 -6.075 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.890 -1.278 -0.784 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.971 -2.403 -0.736 1.00 0.00 C ATOM 1081 C LEU B 28 -9.494 -3.505 0.190 1.00 0.00 C ATOM 1082 O LEU B 28 -9.309 -4.690 -0.083 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.605 -1.898 -0.275 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.431 -2.867 -0.395 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.407 -3.814 0.779 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.496 -3.631 -1.706 1.00 0.00 C ATOM 0 H LEU B 28 -9.491 -0.402 -0.446 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.880 -2.841 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.364 -1.002 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.690 -1.596 0.769 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.506 -2.290 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.564 -4.498 0.678 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.304 -3.245 1.703 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.336 -4.384 0.806 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.650 -4.315 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.426 -4.198 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.459 -2.929 -2.539 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.138 -3.116 1.285 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.755 -4.081 2.196 1.00 0.00 C ATOM 1100 C LYS B 29 -11.769 -4.935 1.441 1.00 0.00 C ATOM 1101 O LYS B 29 -11.850 -6.148 1.637 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.406 -3.349 3.387 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.082 -4.256 4.414 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.489 -4.654 3.985 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.040 -5.779 4.846 1.00 0.00 C ATOM 1106 NZ LYS B 29 -14.155 -5.386 6.273 1.00 0.00 N ATOM 0 H LYS B 29 -10.248 -2.141 1.565 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.987 -4.744 2.594 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.641 -2.760 3.893 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.146 -2.648 3.002 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.479 -5.153 4.558 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.127 -3.745 5.375 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.148 -3.789 4.051 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.477 -4.967 2.941 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.020 -6.074 4.472 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.391 -6.651 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.550 -6.177 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.214 -5.145 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.782 -4.560 6.356 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.519 -4.290 0.562 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.504 -4.965 -0.271 1.00 0.00 C ATOM 1122 C VAL B 30 -12.822 -5.850 -1.299 1.00 0.00 C ATOM 1123 O VAL B 30 -13.319 -6.914 -1.663 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.409 -3.939 -0.964 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.409 -4.614 -1.887 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.110 -3.101 0.089 1.00 0.00 C ATOM 0 H VAL B 30 -12.463 -3.284 0.405 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.120 -5.597 0.369 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.795 -3.289 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.034 -3.858 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.875 -5.176 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.036 -5.293 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.755 -2.370 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.712 -3.748 0.727 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.367 -2.583 0.695 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.666 -5.412 -1.740 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.842 -6.196 -2.629 1.00 0.00 C ATOM 1138 C TYR B 31 -10.380 -7.461 -1.914 1.00 0.00 C ATOM 1139 O TYR B 31 -10.344 -8.553 -2.496 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.650 -5.360 -3.082 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.699 -6.102 -3.975 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.050 -6.413 -5.274 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.454 -6.494 -3.517 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.190 -7.094 -6.095 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.582 -7.178 -4.333 1.00 0.00 C ATOM 1146 CZ TYR B 31 -6.956 -7.480 -5.626 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.095 -8.162 -6.457 1.00 0.00 O ATOM 0 H TYR B 31 -11.271 -4.504 -1.493 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.416 -6.488 -3.508 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.015 -4.478 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.110 -5.007 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.018 -6.115 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.162 -6.260 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.481 -7.327 -7.109 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.612 -7.476 -3.964 1.00 0.00 H new ATOM 0 HH TYR B 31 -6.588 -8.495 -7.236 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.062 -7.311 -0.636 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.642 -8.433 0.191 1.00 0.00 C ATOM 1159 C CYS B 32 -10.833 -9.309 0.555 1.00 0.00 C ATOM 1160 O CYS B 32 -10.672 -10.450 0.969 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.960 -7.925 1.457 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.517 -6.893 1.140 1.00 0.00 S ATOM 0 H CYS B 32 -10.087 -6.416 -0.147 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.933 -9.034 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.681 -7.355 2.044 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.659 -8.779 2.064 1.00 0.00 H new ATOM 0 HG CYS B 32 -7.671 -6.267 0.011 1.00 0.00 H new ATOM 1168 N ALA B 33 -12.026 -8.768 0.398 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.243 -9.518 0.645 1.00 0.00 C ATOM 1170 C ALA B 33 -13.641 -10.291 -0.606 1.00 0.00 C ATOM 1171 O ALA B 33 -14.172 -11.398 -0.532 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.353 -8.574 1.072 1.00 0.00 C ATOM 0 H ALA B 33 -12.179 -7.805 0.098 1.00 0.00 H new ATOM 0 HA ALA B 33 -13.069 -10.233 1.449 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.264 -9.143 1.256 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -14.059 -8.055 1.984 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.534 -7.845 0.283 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.369 -9.692 -1.757 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.687 -10.297 -3.040 1.00 0.00 C ATOM 1180 C LYS B 34 -12.752 -11.454 -3.346 1.00 0.00 C ATOM 1181 O LYS B 34 -13.189 -12.533 -3.737 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.602 -9.244 -4.152 1.00 0.00 C ATOM 1183 CG LYS B 34 -13.987 -9.773 -5.521 1.00 0.00 C ATOM 1184 CD LYS B 34 -13.737 -8.760 -6.637 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.704 -7.582 -6.591 1.00 0.00 C ATOM 1186 NZ LYS B 34 -14.322 -6.556 -5.582 1.00 0.00 N ATOM 0 H LYS B 34 -12.924 -8.777 -1.826 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.704 -10.687 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.253 -8.407 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.585 -8.855 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.421 -10.681 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.042 -10.049 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.715 -8.389 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.825 -9.260 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.748 -7.117 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.705 -7.949 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.161 -6.279 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.604 -6.950 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -13.934 -5.721 -6.066 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.469 -11.229 -3.140 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.466 -12.243 -3.433 1.00 0.00 C ATOM 1202 C ASN B 35 -10.156 -13.044 -2.191 1.00 0.00 C ATOM 1203 O ASN B 35 -9.281 -13.912 -2.202 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.183 -11.594 -3.944 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.375 -10.895 -5.272 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.169 -11.482 -6.334 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.774 -9.636 -5.222 1.00 0.00 N ATOM 0 H ASN B 35 -11.093 -10.355 -2.771 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.865 -12.904 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.825 -10.875 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.410 -12.356 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -9.923 -9.113 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -9.933 -9.187 -4.320 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.881 -12.736 -1.116 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.618 -13.328 0.198 1.00 0.00 C ATOM 1216 C ASN B 36 -9.154 -13.140 0.606 1.00 0.00 C ATOM 1217 O ASN B 36 -8.608 -13.925 1.382 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.980 -14.815 0.200 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.475 -15.057 0.245 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.232 -14.249 0.782 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.910 -16.171 -0.319 1.00 0.00 N ATOM 0 H ASN B 36 -11.659 -12.077 -1.129 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.244 -12.813 0.927 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.567 -15.286 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.513 -15.296 1.059 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.907 -16.387 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.249 -16.815 -0.754 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.523 -12.099 0.066 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.131 -11.788 0.369 1.00 0.00 C ATOM 1230 C LEU B 37 -6.980 -11.220 1.769 1.00 0.00 C ATOM 1231 O LEU B 37 -7.952 -10.806 2.400 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.578 -10.776 -0.637 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.491 -11.306 -1.572 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -5.986 -12.516 -2.344 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.036 -10.211 -2.525 1.00 0.00 C ATOM 0 H LEU B 37 -8.961 -11.452 -0.590 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.571 -12.721 0.304 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.404 -10.403 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.177 -9.925 -0.087 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.639 -11.617 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.196 -12.876 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.263 -13.305 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -6.855 -12.237 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.262 -10.602 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.884 -9.872 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.636 -9.374 -1.953 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.746 -11.206 2.238 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.419 -10.597 3.511 1.00 0.00 C ATOM 1249 C GLN B 38 -5.150 -9.121 3.303 1.00 0.00 C ATOM 1250 O GLN B 38 -4.451 -8.758 2.356 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.184 -11.256 4.127 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.368 -12.725 4.448 1.00 0.00 C ATOM 1253 CD GLN B 38 -3.075 -13.386 4.886 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.740 -13.397 6.069 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.340 -13.941 3.933 1.00 0.00 N ATOM 0 H GLN B 38 -4.948 -11.614 1.750 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.260 -10.733 4.190 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.345 -11.147 3.440 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.919 -10.725 5.041 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.113 -12.832 5.237 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.757 -13.240 3.570 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.654 -13.910 2.963 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.460 -14.399 4.169 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.711 -8.285 4.162 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.493 -6.838 4.093 1.00 0.00 C ATOM 1266 C LEU B 39 -4.010 -6.515 3.913 1.00 0.00 C ATOM 1267 O LEU B 39 -3.629 -5.776 3.006 1.00 0.00 O ATOM 1268 CB LEU B 39 -6.020 -6.155 5.356 1.00 0.00 C ATOM 1269 CG LEU B 39 -7.084 -5.073 5.129 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.619 -4.066 4.091 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.410 -5.694 4.715 1.00 0.00 C ATOM 0 H LEU B 39 -6.325 -8.580 4.921 1.00 0.00 H new ATOM 0 HA LEU B 39 -6.039 -6.460 3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.438 -6.918 6.013 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.178 -5.707 5.883 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.234 -4.547 6.072 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.390 -3.309 3.947 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.701 -3.588 4.433 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.432 -4.577 3.147 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.148 -4.907 4.560 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.276 -6.253 3.789 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.757 -6.367 5.499 1.00 0.00 H new ATOM 1283 N THR B 40 -3.178 -7.106 4.760 1.00 0.00 N ATOM 1284 CA THR B 40 -1.744 -6.873 4.711 1.00 0.00 C ATOM 1285 C THR B 40 -1.156 -7.328 3.380 1.00 0.00 C ATOM 1286 O THR B 40 -0.402 -6.592 2.740 1.00 0.00 O ATOM 1287 CB THR B 40 -1.031 -7.613 5.855 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.693 -7.349 7.098 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.426 -7.195 5.956 1.00 0.00 C ATOM 0 H THR B 40 -3.475 -7.752 5.491 1.00 0.00 H new ATOM 0 HA THR B 40 -1.587 -5.800 4.820 1.00 0.00 H new ATOM 0 HB THR B 40 -1.069 -8.681 5.639 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.234 -7.825 7.821 1.00 0.00 H new ATOM 0 HG21 THR B 40 0.904 -7.735 6.774 1.00 0.00 H new ATOM 0 HG22 THR B 40 0.937 -7.426 5.021 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.485 -6.123 6.146 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.522 -8.536 2.968 1.00 0.00 N ATOM 1298 CA GLN B 41 -1.051 -9.103 1.713 1.00 0.00 C ATOM 1299 C GLN B 41 -1.410 -8.187 0.546 1.00 0.00 C ATOM 1300 O GLN B 41 -0.626 -8.019 -0.389 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.668 -10.486 1.519 1.00 0.00 C ATOM 1302 CG GLN B 41 -1.017 -11.310 0.421 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.651 -12.678 0.276 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -2.640 -12.783 -0.594 1.00 0.00 O flip ATOM 1305 NE2 GLN B 41 -1.251 -13.634 0.936 1.00 0.00 N flip ATOM 0 H GLN B 41 -2.150 -9.146 3.492 1.00 0.00 H new ATOM 0 HA GLN B 41 0.034 -9.198 1.746 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.602 -11.036 2.458 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.728 -10.370 1.291 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.093 -10.775 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.045 -11.425 0.638 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.484 -13.512 1.598 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -1.685 -14.550 0.822 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.589 -7.583 0.625 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.054 -6.660 -0.402 1.00 0.00 C ATOM 1316 C ALA B 42 -2.233 -5.384 -0.403 1.00 0.00 C ATOM 1317 O ALA B 42 -1.824 -4.914 -1.459 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.511 -6.337 -0.186 1.00 0.00 C ATOM 0 H ALA B 42 -3.244 -7.717 1.395 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.933 -7.143 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.849 -5.646 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.098 -7.254 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.640 -5.877 0.794 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.995 -4.823 0.781 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.159 -3.635 0.900 1.00 0.00 C ATOM 1326 C ILE B 43 0.212 -3.893 0.301 1.00 0.00 C ATOM 1327 O ILE B 43 0.726 -3.080 -0.461 1.00 0.00 O ATOM 1328 CB ILE B 43 -1.001 -3.179 2.373 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.056 -2.131 2.732 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.400 -2.643 2.630 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.475 -2.655 2.707 1.00 0.00 C ATOM 0 H ILE B 43 -2.367 -5.171 1.665 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.658 -2.836 0.352 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.152 -4.048 3.013 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.841 -1.740 3.726 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.975 -1.296 2.036 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.485 -2.330 3.671 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.132 -3.425 2.426 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.589 -1.790 1.978 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.164 -1.853 2.972 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.711 -3.020 1.707 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.574 -3.470 3.423 1.00 0.00 H new ATOM 1343 N GLU B 44 0.788 -5.033 0.645 1.00 0.00 N ATOM 1344 CA GLU B 44 2.111 -5.397 0.156 1.00 0.00 C ATOM 1345 C GLU B 44 2.115 -5.534 -1.359 1.00 0.00 C ATOM 1346 O GLU B 44 3.046 -5.085 -2.015 1.00 0.00 O ATOM 1347 CB GLU B 44 2.590 -6.689 0.804 1.00 0.00 C ATOM 1348 CG GLU B 44 2.768 -6.585 2.305 1.00 0.00 C ATOM 1349 CD GLU B 44 3.369 -7.835 2.904 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.622 -8.808 3.132 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.592 -7.857 3.137 1.00 0.00 O ATOM 0 H GLU B 44 0.361 -5.724 1.262 1.00 0.00 H new ATOM 0 HA GLU B 44 2.798 -4.596 0.429 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.875 -7.482 0.585 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.538 -6.982 0.353 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.408 -5.733 2.534 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.801 -6.392 2.770 1.00 0.00 H new ATOM 1358 N GLU B 45 1.077 -6.149 -1.905 1.00 0.00 N ATOM 1359 CA GLU B 45 0.902 -6.220 -3.350 1.00 0.00 C ATOM 1360 C GLU B 45 0.744 -4.817 -3.919 1.00 0.00 C ATOM 1361 O GLU B 45 1.314 -4.479 -4.955 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.335 -7.051 -3.698 1.00 0.00 C ATOM 1363 CG GLU B 45 -0.179 -8.545 -3.457 1.00 0.00 C ATOM 1364 CD GLU B 45 0.507 -9.257 -4.602 1.00 0.00 C ATOM 1365 OE1 GLU B 45 -0.197 -9.689 -5.540 1.00 0.00 O ATOM 1366 OE2 GLU B 45 1.745 -9.417 -4.561 1.00 0.00 O ATOM 0 H GLU B 45 0.341 -6.608 -1.369 1.00 0.00 H new ATOM 0 HA GLU B 45 1.782 -6.695 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.178 -6.687 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.583 -6.889 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.393 -8.703 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -1.163 -8.987 -3.298 1.00 0.00 H new ATOM 1373 N ALA B 46 -0.024 -3.998 -3.208 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.295 -2.637 -3.628 1.00 0.00 C ATOM 1375 C ALA B 46 0.986 -1.838 -3.711 1.00 0.00 C ATOM 1376 O ALA B 46 1.304 -1.257 -4.743 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.265 -1.966 -2.664 1.00 0.00 C ATOM 0 H ALA B 46 -0.472 -4.261 -2.330 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.749 -2.672 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.458 -0.945 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.201 -2.524 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.831 -1.949 -1.664 1.00 0.00 H new ATOM 1383 N ILE B 47 1.723 -1.833 -2.614 1.00 0.00 N ATOM 1384 CA ILE B 47 2.942 -1.083 -2.512 1.00 0.00 C ATOM 1385 C ILE B 47 4.036 -1.689 -3.397 1.00 0.00 C ATOM 1386 O ILE B 47 4.945 -0.993 -3.843 1.00 0.00 O ATOM 1387 CB ILE B 47 3.383 -1.004 -1.037 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.582 -0.082 -0.872 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.684 -2.386 -0.486 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.900 0.217 0.575 1.00 0.00 C ATOM 0 H ILE B 47 1.483 -2.354 -1.771 1.00 0.00 H new ATOM 0 HA ILE B 47 2.766 -0.069 -2.872 1.00 0.00 H new ATOM 0 HB ILE B 47 2.556 -0.584 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.452 -0.539 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.389 0.854 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE B 47 3.993 -2.303 0.556 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.790 -3.006 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.485 -2.843 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.764 0.879 0.628 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.043 0.701 1.043 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.122 -0.713 1.098 1.00 0.00 H new ATOM 1402 N LYS B 48 3.919 -2.981 -3.678 1.00 0.00 N ATOM 1403 CA LYS B 48 4.865 -3.660 -4.549 1.00 0.00 C ATOM 1404 C LYS B 48 4.675 -3.207 -5.990 1.00 0.00 C ATOM 1405 O LYS B 48 5.588 -2.636 -6.593 1.00 0.00 O ATOM 1406 CB LYS B 48 4.678 -5.176 -4.443 1.00 0.00 C ATOM 1407 CG LYS B 48 5.540 -6.002 -5.391 1.00 0.00 C ATOM 1408 CD LYS B 48 6.826 -6.497 -4.741 1.00 0.00 C ATOM 1409 CE LYS B 48 7.850 -5.389 -4.558 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.111 -5.904 -3.962 1.00 0.00 N ATOM 0 H LYS B 48 3.177 -3.579 -3.314 1.00 0.00 H new ATOM 0 HA LYS B 48 5.877 -3.406 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.895 -5.482 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.630 -5.411 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.965 -6.857 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.789 -5.401 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.593 -6.936 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.258 -7.289 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.064 -4.927 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.435 -4.611 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.787 -5.122 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.910 -6.322 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.519 -6.629 -4.586 1.00 0.00 H new ATOM 1424 N GLU B 49 3.479 -3.446 -6.528 1.00 0.00 N ATOM 1425 CA GLU B 49 3.138 -3.020 -7.878 1.00 0.00 C ATOM 1426 C GLU B 49 3.285 -1.514 -8.030 1.00 0.00 C ATOM 1427 O GLU B 49 3.474 -1.006 -9.132 1.00 0.00 O ATOM 1428 CB GLU B 49 1.702 -3.430 -8.235 1.00 0.00 C ATOM 1429 CG GLU B 49 1.569 -4.830 -8.822 1.00 0.00 C ATOM 1430 CD GLU B 49 1.867 -5.941 -7.841 1.00 0.00 C ATOM 1431 OE1 GLU B 49 3.058 -6.255 -7.636 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.908 -6.538 -7.313 1.00 0.00 O ATOM 0 H GLU B 49 2.728 -3.936 -6.042 1.00 0.00 H new ATOM 0 HA GLU B 49 3.831 -3.514 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.086 -3.367 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.300 -2.711 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU B 49 0.556 -4.958 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.243 -4.921 -9.674 1.00 0.00 H new ATOM 1439 N TYR B 50 3.226 -0.816 -6.917 1.00 0.00 N ATOM 1440 CA TYR B 50 3.316 0.622 -6.907 1.00 0.00 C ATOM 1441 C TYR B 50 4.713 1.070 -7.279 1.00 0.00 C ATOM 1442 O TYR B 50 4.894 1.900 -8.170 1.00 0.00 O ATOM 1443 CB TYR B 50 2.947 1.133 -5.528 1.00 0.00 C ATOM 1444 CG TYR B 50 3.103 2.614 -5.359 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.334 3.492 -6.097 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.998 3.126 -4.436 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.453 4.851 -5.927 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.126 4.492 -4.256 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.348 5.350 -5.005 1.00 0.00 C ATOM 1450 OH TYR B 50 3.469 6.709 -4.836 1.00 0.00 O ATOM 0 H TYR B 50 3.114 -1.233 -5.993 1.00 0.00 H new ATOM 0 HA TYR B 50 2.624 1.031 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.913 0.862 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.567 0.627 -4.788 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.629 3.106 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.604 2.451 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.847 5.525 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.829 4.883 -3.535 1.00 0.00 H new ATOM 0 HH TYR B 50 4.402 6.974 -4.978 1.00 0.00 H new ATOM 1460 N LEU B 51 5.697 0.512 -6.594 1.00 0.00 N ATOM 1461 CA LEU B 51 7.085 0.820 -6.878 1.00 0.00 C ATOM 1462 C LEU B 51 7.459 0.448 -8.303 1.00 0.00 C ATOM 1463 O LEU B 51 8.255 1.133 -8.936 1.00 0.00 O ATOM 1464 CB LEU B 51 8.015 0.109 -5.901 1.00 0.00 C ATOM 1465 CG LEU B 51 8.375 0.894 -4.635 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.023 2.368 -4.780 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.696 0.286 -3.420 1.00 0.00 C ATOM 0 H LEU B 51 5.558 -0.157 -5.837 1.00 0.00 H new ATOM 0 HA LEU B 51 7.203 1.897 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.550 -0.831 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.937 -0.144 -6.424 1.00 0.00 H new ATOM 0 HG LEU B 51 9.454 0.828 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.290 2.898 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.573 2.793 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.953 2.471 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.963 0.856 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.615 0.312 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.022 -0.747 -3.300 1.00 0.00 H new ATOM 1479 N GLN B 52 6.880 -0.628 -8.809 1.00 0.00 N ATOM 1480 CA GLN B 52 7.170 -1.062 -10.172 1.00 0.00 C ATOM 1481 C GLN B 52 6.453 -0.185 -11.191 1.00 0.00 C ATOM 1482 O GLN B 52 6.995 0.119 -12.252 1.00 0.00 O ATOM 1483 CB GLN B 52 6.798 -2.533 -10.385 1.00 0.00 C ATOM 1484 CG GLN B 52 7.894 -3.512 -9.982 1.00 0.00 C ATOM 1485 CD GLN B 52 8.136 -3.560 -8.488 1.00 0.00 C ATOM 1486 OE1 GLN B 52 7.429 -4.446 -7.810 1.00 0.00 O flip ATOM 1487 NE2 GLN B 52 8.955 -2.811 -7.948 1.00 0.00 N flip ATOM 0 H GLN B 52 6.213 -1.214 -8.306 1.00 0.00 H new ATOM 0 HA GLN B 52 8.245 -0.959 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.897 -2.756 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.555 -2.688 -11.436 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.627 -4.509 -10.332 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.821 -3.235 -10.484 1.00 0.00 H new ATOM 0 HE21 GLN B 52 9.480 -2.141 -8.509 1.00 0.00 H new ATOM 0 HE22 GLN B 52 9.106 -2.862 -6.941 1.00 0.00 H new ATOM 1496 N LYS B 53 5.242 0.232 -10.858 1.00 0.00 N ATOM 1497 CA LYS B 53 4.467 1.115 -11.720 1.00 0.00 C ATOM 1498 C LYS B 53 5.070 2.509 -11.727 1.00 0.00 C ATOM 1499 O LYS B 53 4.808 3.319 -12.619 1.00 0.00 O ATOM 1500 CB LYS B 53 3.021 1.181 -11.238 1.00 0.00 C ATOM 1501 CG LYS B 53 2.110 1.976 -12.155 1.00 0.00 C ATOM 1502 CD LYS B 53 0.718 2.110 -11.567 1.00 0.00 C ATOM 1503 CE LYS B 53 -0.199 2.905 -12.482 1.00 0.00 C ATOM 1504 NZ LYS B 53 0.330 4.268 -12.759 1.00 0.00 N ATOM 0 H LYS B 53 4.771 -0.028 -9.992 1.00 0.00 H new ATOM 0 HA LYS B 53 4.488 0.716 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.632 0.167 -11.143 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.999 1.625 -10.243 1.00 0.00 H new ATOM 0 HG2 LYS B 53 2.533 2.966 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS B 53 2.051 1.486 -13.127 1.00 0.00 H new ATOM 0 HD2 LYS B 53 0.296 1.119 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS B 53 0.778 2.600 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -0.326 2.368 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -1.185 2.986 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -0.420 4.852 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 0.650 4.703 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 1.130 4.202 -13.420 1.00 0.00 H new ATOM 1518 N ARG B 54 5.881 2.780 -10.727 1.00 0.00 N ATOM 1519 CA ARG B 54 6.434 4.092 -10.544 1.00 0.00 C ATOM 1520 C ARG B 54 7.903 4.115 -10.956 1.00 0.00 C ATOM 1521 O ARG B 54 8.244 4.601 -12.036 1.00 0.00 O ATOM 1522 CB ARG B 54 6.284 4.487 -9.082 1.00 0.00 C ATOM 1523 CG ARG B 54 5.877 5.936 -8.869 1.00 0.00 C ATOM 1524 CD ARG B 54 4.366 6.095 -8.943 1.00 0.00 C ATOM 1525 NE ARG B 54 3.902 7.329 -8.303 1.00 0.00 N ATOM 1526 CZ ARG B 54 2.632 7.550 -7.954 1.00 0.00 C ATOM 1527 NH1 ARG B 54 1.685 6.676 -8.281 1.00 0.00 N ATOM 1528 NH2 ARG B 54 2.306 8.650 -7.288 1.00 0.00 N ATOM 0 H ARG B 54 6.170 2.098 -10.026 1.00 0.00 H new ATOM 0 HA ARG B 54 5.900 4.805 -11.172 1.00 0.00 H new ATOM 0 HB2 ARG B 54 5.541 3.840 -8.616 1.00 0.00 H new ATOM 0 HB3 ARG B 54 7.229 4.307 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG B 54 6.235 6.279 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG B 54 6.350 6.565 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG B 54 4.054 6.091 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG B 54 3.889 5.239 -8.464 1.00 0.00 H new ATOM 0 HE ARG B 54 4.588 8.060 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG B 54 1.927 5.832 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG B 54 0.716 6.849 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG B 54 3.026 9.329 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG B 54 1.335 8.817 -7.023 1.00 0.00 H new ATOM 1542 N ASN B 55 8.757 3.549 -10.100 1.00 0.00 N ATOM 1543 CA ASN B 55 10.206 3.530 -10.309 1.00 0.00 C ATOM 1544 C ASN B 55 10.928 2.869 -9.129 1.00 0.00 C ATOM 1545 O ASN B 55 11.691 1.916 -9.314 1.00 0.00 O ATOM 1546 CB ASN B 55 10.776 4.941 -10.557 1.00 0.00 C ATOM 1547 CG ASN B 55 10.190 6.026 -9.659 1.00 0.00 C ATOM 1548 OD1 ASN B 55 9.795 5.781 -8.521 1.00 0.00 O ATOM 1549 ND2 ASN B 55 10.125 7.241 -10.178 1.00 0.00 N ATOM 0 H ASN B 55 8.461 3.089 -9.239 1.00 0.00 H new ATOM 0 HA ASN B 55 10.384 2.937 -11.206 1.00 0.00 H new ATOM 0 HB2 ASN B 55 11.856 4.913 -10.414 1.00 0.00 H new ATOM 0 HB3 ASN B 55 10.599 5.213 -11.598 1.00 0.00 H new ATOM 0 HD21 ASN B 55 9.738 8.010 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN B 55 10.462 7.409 -11.126 1.00 0.00 H new ATOM 1556 N GLY B 56 10.687 3.369 -7.926 1.00 0.00 N ATOM 1557 CA GLY B 56 11.300 2.801 -6.745 1.00 0.00 C ATOM 1558 C GLY B 56 12.504 3.591 -6.279 1.00 0.00 C ATOM 1559 O GLY B 56 12.514 4.828 -6.438 1.00 0.00 O ATOM 1560 OXT GLY B 56 13.457 2.972 -5.766 1.00 0.00 O ATOM 0 H GLY B 56 10.073 4.164 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY B 56 10.564 2.759 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY B 56 11.602 1.775 -6.954 1.00 0.00 H new TER 1564 GLY B 56