USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 854 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 Single : A 21 MET CE :methyl -159:sc= -0.101 (180deg=-0.595) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.56) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0904) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -159:sc= -0.141 (180deg=-0.635) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0113 (180deg=-0.247) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= 1.95 (180deg=0.856) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00451 (180deg=-0.129) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= -0.641 (180deg=-0.861) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0681) USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 1.27 (180deg=0.92) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0573 (180deg=-0.287) USER MOD Single : A 88 SER OG : rot 180:sc= -0.397 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.43) USER MOD Single : A 96 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.0076) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 128:sc= 0.746 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.986) USER MOD Single : A 119 LYS NZ :NH3+ -169:sc= -0.0139 (180deg=-0.145) USER MOD Single : A 122 SER OG : rot 68:sc= -0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -8.261 -12.829 4.682 1.00 0.86 N ATOM 2 CA MET A 21 -7.925 -11.456 4.238 1.00 0.65 C ATOM 3 C MET A 21 -6.801 -11.482 3.212 1.00 0.55 C ATOM 4 O MET A 21 -5.843 -12.238 3.353 1.00 0.75 O ATOM 5 CB MET A 21 -7.508 -10.578 5.430 1.00 0.73 C ATOM 6 CG MET A 21 -6.222 -11.013 6.127 1.00 1.04 C ATOM 7 SD MET A 21 -6.400 -12.544 7.069 1.00 1.93 S ATOM 8 CE MET A 21 -7.542 -12.030 8.351 1.00 2.17 C ATOM 0 HA MET A 21 -8.818 -11.030 3.781 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.387 -9.552 5.083 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.317 -10.574 6.161 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.439 -11.143 5.380 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.894 -10.219 6.797 1.00 1.04 H new ATOM 0 HE1 MET A 21 -7.466 -12.710 9.200 1.00 2.17 H new ATOM 0 HE2 MET A 21 -7.296 -11.018 8.673 1.00 2.17 H new ATOM 0 HE3 MET A 21 -8.560 -12.049 7.961 1.00 2.17 H new ATOM 17 N THR A 22 -6.927 -10.675 2.167 1.00 0.43 N ATOM 18 CA THR A 22 -5.839 -10.512 1.217 1.00 0.41 C ATOM 19 C THR A 22 -5.019 -9.281 1.582 1.00 0.35 C ATOM 20 O THR A 22 -5.568 -8.280 2.054 1.00 0.38 O ATOM 21 CB THR A 22 -6.354 -10.373 -0.227 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.316 -11.392 -0.497 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.210 -10.493 -1.225 1.00 0.63 C ATOM 0 H THR A 22 -7.763 -10.129 1.958 1.00 0.43 H new ATOM 0 HA THR A 22 -5.219 -11.407 1.268 1.00 0.41 H new ATOM 0 HB THR A 22 -6.812 -9.390 -0.331 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.642 -11.299 -1.416 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.599 -10.392 -2.238 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.479 -9.707 -1.037 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.732 -11.467 -1.116 1.00 0.63 H new ATOM 31 N LEU A 23 -3.711 -9.363 1.391 1.00 0.32 N ATOM 32 CA LEU A 23 -2.824 -8.263 1.719 1.00 0.29 C ATOM 33 C LEU A 23 -2.352 -7.555 0.455 1.00 0.26 C ATOM 34 O LEU A 23 -1.634 -8.132 -0.367 1.00 0.30 O ATOM 35 CB LEU A 23 -1.618 -8.766 2.512 1.00 0.30 C ATOM 36 CG LEU A 23 -1.942 -9.537 3.793 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.665 -9.860 4.548 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.896 -8.747 4.672 1.00 0.39 C ATOM 0 H LEU A 23 -3.241 -10.184 1.009 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.380 -7.553 2.331 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.022 -9.409 1.864 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.995 -7.910 2.772 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.431 -10.471 3.518 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -0.909 -10.409 5.458 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.015 -10.469 3.920 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.153 -8.934 4.809 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.112 -9.315 5.577 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.439 -7.795 4.942 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.823 -8.563 4.129 1.00 0.39 H new ATOM 50 N PHE A 24 -2.762 -6.308 0.304 1.00 0.25 N ATOM 51 CA PHE A 24 -2.372 -5.512 -0.845 1.00 0.25 C ATOM 52 C PHE A 24 -1.410 -4.422 -0.413 1.00 0.26 C ATOM 53 O PHE A 24 -1.615 -3.774 0.614 1.00 0.30 O ATOM 54 CB PHE A 24 -3.593 -4.871 -1.507 1.00 0.28 C ATOM 55 CG PHE A 24 -4.655 -5.852 -1.905 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.666 -6.408 -3.172 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.645 -6.214 -1.008 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.644 -7.309 -3.536 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.624 -7.113 -1.367 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.624 -7.662 -2.633 1.00 0.51 C ATOM 0 H PHE A 24 -3.368 -5.823 0.966 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.888 -6.171 -1.565 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.025 -4.142 -0.821 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.268 -4.323 -2.392 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.901 -6.133 -3.883 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.650 -5.787 -0.016 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.642 -7.738 -4.527 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.391 -7.388 -0.658 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.391 -8.368 -2.916 1.00 0.51 H new ATOM 70 N VAL A 25 -0.365 -4.218 -1.188 1.00 0.29 N ATOM 71 CA VAL A 25 0.570 -3.151 -0.911 1.00 0.31 C ATOM 72 C VAL A 25 0.589 -2.159 -2.053 1.00 0.30 C ATOM 73 O VAL A 25 0.726 -2.525 -3.218 1.00 0.35 O ATOM 74 CB VAL A 25 2.007 -3.650 -0.671 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.937 -2.464 -0.437 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.054 -4.607 0.509 1.00 0.98 C ATOM 0 H VAL A 25 -0.143 -4.776 -2.012 1.00 0.29 H new ATOM 0 HA VAL A 25 0.223 -2.679 0.008 1.00 0.31 H new ATOM 0 HB VAL A 25 2.342 -4.190 -1.557 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.952 -2.825 -0.268 1.00 1.08 H new ATOM 0 HG12 VAL A 25 2.924 -1.814 -1.312 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.601 -1.905 0.436 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.078 -4.947 0.661 1.00 0.98 H new ATOM 0 HG22 VAL A 25 1.705 -4.096 1.406 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.413 -5.465 0.307 1.00 0.98 H new ATOM 86 N LEU A 26 0.429 -0.909 -1.707 1.00 0.34 N ATOM 87 CA LEU A 26 0.563 0.167 -2.652 1.00 0.35 C ATOM 88 C LEU A 26 1.766 0.997 -2.266 1.00 0.34 C ATOM 89 O LEU A 26 2.138 1.047 -1.097 1.00 0.36 O ATOM 90 CB LEU A 26 -0.687 1.041 -2.667 1.00 0.40 C ATOM 91 CG LEU A 26 -1.856 0.538 -3.525 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.406 -0.773 -3.003 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.960 1.574 -3.566 1.00 1.09 C ATOM 0 H LEU A 26 0.201 -0.608 -0.759 1.00 0.34 H new ATOM 0 HA LEU A 26 0.692 -0.247 -3.652 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.039 1.154 -1.641 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.406 2.034 -3.019 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.476 0.370 -4.533 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.232 -1.098 -3.635 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.620 -1.528 -3.016 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.762 -0.637 -1.982 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.783 1.205 -4.178 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.317 1.765 -2.554 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.575 2.499 -3.996 1.00 1.09 H new ATOM 105 N ILE A 27 2.383 1.625 -3.236 1.00 0.34 N ATOM 106 CA ILE A 27 3.513 2.488 -2.967 1.00 0.32 C ATOM 107 C ILE A 27 3.473 3.690 -3.890 1.00 0.30 C ATOM 108 O ILE A 27 3.528 3.538 -5.107 1.00 0.36 O ATOM 109 CB ILE A 27 4.859 1.732 -3.121 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.044 2.693 -2.965 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.927 1.006 -4.459 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.396 2.013 -3.024 1.00 0.55 C ATOM 0 H ILE A 27 2.124 1.557 -4.220 1.00 0.34 H new ATOM 0 HA ILE A 27 3.443 2.824 -1.933 1.00 0.32 H new ATOM 0 HB ILE A 27 4.918 0.986 -2.329 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.993 3.448 -3.750 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.952 3.216 -2.013 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.880 0.484 -4.542 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.112 0.285 -4.524 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.837 1.729 -5.270 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.183 2.758 -2.906 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.469 1.278 -2.222 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.510 1.513 -3.986 1.00 0.55 H new ATOM 124 N LEU A 28 3.341 4.885 -3.325 1.00 0.30 N ATOM 125 CA LEU A 28 3.341 6.075 -4.149 1.00 0.36 C ATOM 126 C LEU A 28 4.603 6.875 -3.882 1.00 0.38 C ATOM 127 O LEU A 28 4.607 7.851 -3.126 1.00 0.41 O ATOM 128 CB LEU A 28 2.111 6.930 -3.842 1.00 0.46 C ATOM 129 CG LEU A 28 1.587 7.755 -5.013 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.968 6.842 -6.055 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.577 8.780 -4.534 1.00 1.18 C ATOM 0 H LEU A 28 3.235 5.049 -2.324 1.00 0.30 H new ATOM 0 HA LEU A 28 3.311 5.782 -5.198 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.312 6.277 -3.492 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.353 7.605 -3.021 1.00 0.46 H new ATOM 0 HG LEU A 28 2.422 8.289 -5.467 1.00 0.62 H new ATOM 0 HD11 LEU A 28 0.596 7.439 -6.888 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.720 6.142 -6.418 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.142 6.288 -5.609 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.215 9.359 -5.384 1.00 1.18 H new ATOM 0 HD22 LEU A 28 -0.261 8.270 -4.058 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.050 9.449 -3.815 1.00 1.18 H new ATOM 143 N SER A 29 5.675 6.427 -4.496 1.00 0.44 N ATOM 144 CA SER A 29 6.928 7.141 -4.520 1.00 0.56 C ATOM 145 C SER A 29 7.620 6.801 -5.826 1.00 0.68 C ATOM 146 O SER A 29 7.501 5.664 -6.286 1.00 1.05 O ATOM 147 CB SER A 29 7.808 6.735 -3.331 1.00 0.61 C ATOM 148 OG SER A 29 8.886 7.639 -3.156 1.00 1.27 O ATOM 0 H SER A 29 5.699 5.541 -5.001 1.00 0.44 H new ATOM 0 HA SER A 29 6.752 8.214 -4.444 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.205 6.704 -2.423 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.196 5.729 -3.490 1.00 0.61 H new ATOM 0 HG SER A 29 9.429 7.357 -2.390 1.00 1.27 H new ATOM 154 N ASN A 30 8.328 7.724 -6.449 1.00 0.60 N ATOM 155 CA ASN A 30 9.159 7.299 -7.557 1.00 0.67 C ATOM 156 C ASN A 30 10.628 7.484 -7.208 1.00 0.64 C ATOM 157 O ASN A 30 11.262 8.492 -7.516 1.00 0.68 O ATOM 158 CB ASN A 30 8.775 8.048 -8.847 1.00 0.79 C ATOM 159 CG ASN A 30 8.781 9.563 -8.702 1.00 1.85 C ATOM 160 OD1 ASN A 30 9.770 10.225 -9.010 1.00 2.75 O ATOM 161 ND2 ASN A 30 7.673 10.124 -8.241 1.00 2.45 N ATOM 0 H ASN A 30 8.348 8.719 -6.224 1.00 0.60 H new ATOM 0 HA ASN A 30 8.991 6.238 -7.742 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.467 7.765 -9.640 1.00 0.79 H new ATOM 0 HB3 ASN A 30 7.782 7.726 -9.161 1.00 0.79 H new ATOM 0 HD21 ASN A 30 7.622 11.137 -8.132 1.00 2.45 H new ATOM 0 HD22 ASN A 30 6.871 9.543 -7.995 1.00 2.45 H new ATOM 168 N ASP A 31 11.147 6.468 -6.536 1.00 0.63 N ATOM 169 CA ASP A 31 12.570 6.281 -6.328 1.00 0.67 C ATOM 170 C ASP A 31 12.956 4.929 -6.915 1.00 0.72 C ATOM 171 O ASP A 31 12.326 3.917 -6.605 1.00 0.81 O ATOM 172 CB ASP A 31 12.898 6.371 -4.838 1.00 0.72 C ATOM 173 CG ASP A 31 14.371 6.180 -4.540 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.059 7.191 -4.268 1.00 1.45 O ATOM 175 OD2 ASP A 31 14.847 5.026 -4.566 1.00 1.57 O ATOM 0 H ASP A 31 10.577 5.736 -6.112 1.00 0.63 H new ATOM 0 HA ASP A 31 13.143 7.063 -6.827 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.580 7.343 -4.460 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.324 5.617 -4.300 1.00 0.72 H new ATOM 180 N LYS A 32 13.986 4.905 -7.745 1.00 0.78 N ATOM 181 CA LYS A 32 14.320 3.707 -8.510 1.00 0.82 C ATOM 182 C LYS A 32 14.762 2.551 -7.615 1.00 0.79 C ATOM 183 O LYS A 32 14.540 1.384 -7.950 1.00 0.81 O ATOM 184 CB LYS A 32 15.406 4.019 -9.542 1.00 0.99 C ATOM 185 CG LYS A 32 14.991 5.062 -10.572 1.00 1.10 C ATOM 186 CD LYS A 32 13.770 4.623 -11.372 1.00 1.61 C ATOM 187 CE LYS A 32 14.048 3.372 -12.192 1.00 2.22 C ATOM 188 NZ LYS A 32 12.854 2.937 -12.962 1.00 2.93 N ATOM 0 H LYS A 32 14.606 5.698 -7.908 1.00 0.78 H new ATOM 0 HA LYS A 32 13.412 3.392 -9.024 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.298 4.369 -9.023 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.678 3.099 -10.059 1.00 0.99 H new ATOM 0 HG2 LYS A 32 14.774 6.003 -10.067 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.822 5.250 -11.252 1.00 1.10 H new ATOM 0 HD2 LYS A 32 12.939 4.434 -10.692 1.00 1.61 H new ATOM 0 HD3 LYS A 32 13.461 5.431 -12.036 1.00 1.61 H new ATOM 0 HE2 LYS A 32 14.873 3.564 -12.879 1.00 2.22 H new ATOM 0 HE3 LYS A 32 14.366 2.567 -11.529 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 13.085 2.082 -13.507 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 12.074 2.729 -12.306 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 12.566 3.695 -13.613 1.00 2.93 H new ATOM 202 N LYS A 33 15.362 2.867 -6.475 1.00 0.84 N ATOM 203 CA LYS A 33 15.884 1.836 -5.584 1.00 0.86 C ATOM 204 C LYS A 33 14.808 1.394 -4.599 1.00 0.74 C ATOM 205 O LYS A 33 14.637 0.199 -4.342 1.00 0.70 O ATOM 206 CB LYS A 33 17.126 2.335 -4.830 1.00 1.02 C ATOM 207 CG LYS A 33 18.352 2.560 -5.713 1.00 1.56 C ATOM 208 CD LYS A 33 18.199 3.783 -6.607 1.00 2.24 C ATOM 209 CE LYS A 33 19.373 3.936 -7.564 1.00 2.94 C ATOM 210 NZ LYS A 33 20.668 4.098 -6.851 1.00 3.44 N ATOM 0 H LYS A 33 15.499 3.823 -6.146 1.00 0.84 H new ATOM 0 HA LYS A 33 16.179 0.980 -6.192 1.00 0.86 H new ATOM 0 HB2 LYS A 33 16.879 3.270 -4.327 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.380 1.613 -4.054 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.234 2.680 -5.084 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.519 1.678 -6.332 1.00 1.56 H new ATOM 0 HD2 LYS A 33 17.274 3.702 -7.177 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.116 4.677 -5.989 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.426 3.062 -8.213 1.00 2.94 H new ATOM 0 HE3 LYS A 33 19.204 4.800 -8.206 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 21.421 4.300 -7.540 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.596 4.886 -6.176 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.894 3.222 -6.338 1.00 3.44 H new ATOM 224 N LEU A 34 14.080 2.368 -4.063 1.00 0.72 N ATOM 225 CA LEU A 34 12.966 2.105 -3.158 1.00 0.64 C ATOM 226 C LEU A 34 11.936 1.191 -3.813 1.00 0.58 C ATOM 227 O LEU A 34 11.508 0.201 -3.221 1.00 0.62 O ATOM 228 CB LEU A 34 12.317 3.431 -2.760 1.00 0.63 C ATOM 229 CG LEU A 34 10.908 3.350 -2.164 1.00 0.69 C ATOM 230 CD1 LEU A 34 10.911 2.667 -0.814 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.308 4.739 -2.049 1.00 1.46 C ATOM 0 H LEU A 34 14.244 3.359 -4.243 1.00 0.72 H new ATOM 0 HA LEU A 34 13.345 1.600 -2.269 1.00 0.64 H new ATOM 0 HB2 LEU A 34 12.966 3.925 -2.037 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.278 4.070 -3.642 1.00 0.63 H new ATOM 0 HG LEU A 34 10.296 2.749 -2.837 1.00 0.69 H new ATOM 0 HD11 LEU A 34 9.894 2.629 -0.423 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.298 1.653 -0.920 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.544 3.226 -0.125 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.307 4.669 -1.624 1.00 1.46 H new ATOM 0 HD22 LEU A 34 10.934 5.353 -1.402 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.252 5.194 -3.038 1.00 1.46 H new ATOM 243 N ILE A 35 11.559 1.524 -5.043 1.00 0.54 N ATOM 244 CA ILE A 35 10.563 0.751 -5.777 1.00 0.52 C ATOM 245 C ILE A 35 11.003 -0.704 -5.944 1.00 0.55 C ATOM 246 O ILE A 35 10.184 -1.626 -5.850 1.00 0.58 O ATOM 247 CB ILE A 35 10.275 1.382 -7.162 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.502 2.694 -6.994 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.505 0.420 -8.056 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.204 3.398 -8.302 1.00 0.69 C ATOM 0 H ILE A 35 11.929 2.326 -5.554 1.00 0.54 H new ATOM 0 HA ILE A 35 9.644 0.768 -5.191 1.00 0.52 H new ATOM 0 HB ILE A 35 11.229 1.594 -7.644 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.563 2.489 -6.480 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.076 3.364 -6.354 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.318 0.891 -9.021 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.090 -0.488 -8.203 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.555 0.167 -7.585 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.655 4.318 -8.103 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.139 3.636 -8.809 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.603 2.747 -8.937 1.00 0.69 H new ATOM 262 N GLU A 36 12.293 -0.917 -6.178 1.00 0.59 N ATOM 263 CA GLU A 36 12.813 -2.269 -6.312 1.00 0.66 C ATOM 264 C GLU A 36 12.729 -3.025 -4.998 1.00 0.62 C ATOM 265 O GLU A 36 12.048 -4.046 -4.914 1.00 0.62 O ATOM 266 CB GLU A 36 14.251 -2.258 -6.822 1.00 0.79 C ATOM 267 CG GLU A 36 14.360 -1.795 -8.258 1.00 0.76 C ATOM 268 CD GLU A 36 13.437 -2.565 -9.179 1.00 1.34 C ATOM 269 OE1 GLU A 36 12.384 -2.017 -9.566 1.00 2.15 O ATOM 270 OE2 GLU A 36 13.746 -3.731 -9.504 1.00 1.87 O ATOM 0 H GLU A 36 12.990 -0.179 -6.278 1.00 0.59 H new ATOM 0 HA GLU A 36 12.191 -2.784 -7.044 1.00 0.66 H new ATOM 0 HB2 GLU A 36 14.852 -1.606 -6.188 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.670 -3.260 -6.735 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.123 -0.733 -8.314 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.389 -1.911 -8.598 1.00 0.76 H new ATOM 277 N GLU A 37 13.394 -2.509 -3.969 1.00 0.62 N ATOM 278 CA GLU A 37 13.471 -3.194 -2.681 1.00 0.65 C ATOM 279 C GLU A 37 12.089 -3.424 -2.076 1.00 0.56 C ATOM 280 O GLU A 37 11.872 -4.412 -1.372 1.00 0.57 O ATOM 281 CB GLU A 37 14.342 -2.406 -1.701 1.00 0.73 C ATOM 282 CG GLU A 37 15.833 -2.506 -1.985 1.00 0.85 C ATOM 283 CD GLU A 37 16.370 -3.908 -1.779 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.608 -4.613 -2.780 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.555 -4.315 -0.610 1.00 1.84 O ATOM 0 H GLU A 37 13.888 -1.617 -4.001 1.00 0.62 H new ATOM 0 HA GLU A 37 13.926 -4.168 -2.863 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.046 -1.357 -1.729 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.150 -2.764 -0.690 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.026 -2.194 -3.011 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.371 -1.815 -1.335 1.00 0.85 H new ATOM 292 N ALA A 38 11.161 -2.514 -2.347 1.00 0.51 N ATOM 293 CA ALA A 38 9.791 -2.673 -1.886 1.00 0.46 C ATOM 294 C ALA A 38 9.194 -3.965 -2.430 1.00 0.42 C ATOM 295 O ALA A 38 8.640 -4.771 -1.680 1.00 0.43 O ATOM 296 CB ALA A 38 8.944 -1.480 -2.302 1.00 0.50 C ATOM 0 H ALA A 38 11.333 -1.662 -2.881 1.00 0.51 H new ATOM 0 HA ALA A 38 9.799 -2.726 -0.797 1.00 0.46 H new ATOM 0 HB1 ALA A 38 7.922 -1.618 -1.948 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.359 -0.570 -1.868 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.943 -1.396 -3.389 1.00 0.50 H new ATOM 302 N ARG A 39 9.337 -4.180 -3.730 1.00 0.43 N ATOM 303 CA ARG A 39 8.795 -5.377 -4.352 1.00 0.45 C ATOM 304 C ARG A 39 9.675 -6.592 -4.056 1.00 0.45 C ATOM 305 O ARG A 39 9.186 -7.715 -4.044 1.00 0.49 O ATOM 306 CB ARG A 39 8.608 -5.182 -5.859 1.00 0.53 C ATOM 307 CG ARG A 39 8.093 -6.427 -6.568 1.00 0.60 C ATOM 308 CD ARG A 39 7.547 -6.111 -7.950 1.00 0.77 C ATOM 309 NE ARG A 39 6.234 -5.467 -7.890 1.00 1.46 N ATOM 310 CZ ARG A 39 5.825 -4.529 -8.743 1.00 1.90 C ATOM 311 NH1 ARG A 39 6.638 -4.098 -9.702 1.00 1.82 N ATOM 312 NH2 ARG A 39 4.602 -4.023 -8.644 1.00 2.96 N ATOM 0 H ARG A 39 9.819 -3.547 -4.368 1.00 0.43 H new ATOM 0 HA ARG A 39 7.812 -5.563 -3.920 1.00 0.45 H new ATOM 0 HB2 ARG A 39 7.911 -4.361 -6.028 1.00 0.53 H new ATOM 0 HB3 ARG A 39 9.560 -4.888 -6.301 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.900 -7.155 -6.655 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.311 -6.889 -5.966 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.246 -5.460 -8.475 1.00 0.77 H new ATOM 0 HD3 ARG A 39 7.473 -7.032 -8.529 1.00 0.77 H new ATOM 0 HE ARG A 39 5.593 -5.754 -7.150 1.00 1.46 H new ATOM 0 HH11 ARG A 39 7.578 -4.486 -9.786 1.00 1.82 H new ATOM 0 HH12 ARG A 39 6.322 -3.380 -10.354 1.00 1.82 H new ATOM 0 HH21 ARG A 39 3.972 -4.352 -7.913 1.00 2.96 H new ATOM 0 HH22 ARG A 39 4.293 -3.305 -9.299 1.00 2.96 H new ATOM 326 N LYS A 40 10.966 -6.368 -3.808 1.00 0.49 N ATOM 327 CA LYS A 40 11.855 -7.453 -3.384 1.00 0.55 C ATOM 328 C LYS A 40 11.266 -8.140 -2.161 1.00 0.49 C ATOM 329 O LYS A 40 11.166 -9.365 -2.098 1.00 0.54 O ATOM 330 CB LYS A 40 13.261 -6.942 -3.033 1.00 0.70 C ATOM 331 CG LYS A 40 13.978 -6.207 -4.154 1.00 0.85 C ATOM 332 CD LYS A 40 13.932 -6.978 -5.452 1.00 1.27 C ATOM 333 CE LYS A 40 14.811 -6.336 -6.513 1.00 1.34 C ATOM 334 NZ LYS A 40 14.770 -7.088 -7.793 1.00 1.88 N ATOM 0 H LYS A 40 11.417 -5.457 -3.892 1.00 0.49 H new ATOM 0 HA LYS A 40 11.943 -8.150 -4.217 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.185 -6.276 -2.173 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.873 -7.790 -2.726 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.521 -5.228 -4.297 1.00 0.85 H new ATOM 0 HG3 LYS A 40 15.016 -6.036 -3.870 1.00 0.85 H new ATOM 0 HD2 LYS A 40 14.259 -8.003 -5.279 1.00 1.27 H new ATOM 0 HD3 LYS A 40 12.904 -7.027 -5.811 1.00 1.27 H new ATOM 0 HE2 LYS A 40 14.484 -5.310 -6.684 1.00 1.34 H new ATOM 0 HE3 LYS A 40 15.839 -6.287 -6.153 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 15.382 -6.619 -8.491 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.106 -8.060 -7.636 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 13.793 -7.113 -8.150 1.00 1.88 H new ATOM 348 N MET A 41 10.857 -7.325 -1.202 1.00 0.45 N ATOM 349 CA MET A 41 10.260 -7.819 0.025 1.00 0.46 C ATOM 350 C MET A 41 8.866 -8.372 -0.235 1.00 0.41 C ATOM 351 O MET A 41 8.541 -9.477 0.189 1.00 0.46 O ATOM 352 CB MET A 41 10.184 -6.696 1.063 1.00 0.57 C ATOM 353 CG MET A 41 11.540 -6.207 1.537 1.00 0.89 C ATOM 354 SD MET A 41 12.431 -7.437 2.507 1.00 1.10 S ATOM 355 CE MET A 41 11.347 -7.603 3.926 1.00 1.68 C ATOM 0 H MET A 41 10.929 -6.309 -1.253 1.00 0.45 H new ATOM 0 HA MET A 41 10.888 -8.624 0.408 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.634 -5.857 0.637 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.614 -7.047 1.923 1.00 0.57 H new ATOM 0 HG2 MET A 41 12.142 -5.928 0.672 1.00 0.89 H new ATOM 0 HG3 MET A 41 11.406 -5.306 2.136 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.906 -8.018 4.765 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.954 -6.624 4.200 1.00 1.68 H new ATOM 0 HE3 MET A 41 10.521 -8.269 3.677 1.00 1.68 H new ATOM 365 N ALA A 42 8.057 -7.604 -0.957 1.00 0.37 N ATOM 366 CA ALA A 42 6.657 -7.947 -1.177 1.00 0.39 C ATOM 367 C ALA A 42 6.485 -9.211 -2.013 1.00 0.42 C ATOM 368 O ALA A 42 5.637 -10.047 -1.700 1.00 0.49 O ATOM 369 CB ALA A 42 5.925 -6.790 -1.824 1.00 0.43 C ATOM 0 H ALA A 42 8.350 -6.734 -1.402 1.00 0.37 H new ATOM 0 HA ALA A 42 6.224 -8.150 -0.197 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.881 -7.062 -1.981 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.978 -5.917 -1.174 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.388 -6.557 -2.783 1.00 0.43 H new ATOM 375 N GLU A 43 7.279 -9.353 -3.074 1.00 0.45 N ATOM 376 CA GLU A 43 7.202 -10.541 -3.921 1.00 0.59 C ATOM 377 C GLU A 43 7.436 -11.795 -3.097 1.00 0.63 C ATOM 378 O GLU A 43 6.749 -12.804 -3.268 1.00 0.75 O ATOM 379 CB GLU A 43 8.210 -10.487 -5.069 1.00 0.71 C ATOM 380 CG GLU A 43 7.715 -9.710 -6.275 1.00 0.87 C ATOM 381 CD GLU A 43 6.483 -10.329 -6.903 1.00 1.66 C ATOM 382 OE1 GLU A 43 5.371 -10.139 -6.365 1.00 2.36 O ATOM 383 OE2 GLU A 43 6.616 -11.009 -7.941 1.00 2.41 O ATOM 0 H GLU A 43 7.976 -8.667 -3.365 1.00 0.45 H new ATOM 0 HA GLU A 43 6.200 -10.567 -4.350 1.00 0.59 H new ATOM 0 HB2 GLU A 43 9.134 -10.034 -4.709 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.452 -11.504 -5.377 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.490 -8.686 -5.975 1.00 0.87 H new ATOM 0 HG3 GLU A 43 8.510 -9.657 -7.019 1.00 0.87 H new ATOM 390 N LYS A 44 8.404 -11.718 -2.193 1.00 0.60 N ATOM 391 CA LYS A 44 8.715 -12.840 -1.317 1.00 0.70 C ATOM 392 C LYS A 44 7.700 -12.949 -0.181 1.00 0.66 C ATOM 393 O LYS A 44 7.424 -14.040 0.314 1.00 0.75 O ATOM 394 CB LYS A 44 10.134 -12.714 -0.745 1.00 0.81 C ATOM 395 CG LYS A 44 11.236 -13.170 -1.695 1.00 1.39 C ATOM 396 CD LYS A 44 11.292 -12.326 -2.960 1.00 2.35 C ATOM 397 CE LYS A 44 12.439 -12.748 -3.864 1.00 3.19 C ATOM 398 NZ LYS A 44 13.761 -12.549 -3.214 1.00 3.63 N ATOM 0 H LYS A 44 8.986 -10.893 -2.047 1.00 0.60 H new ATOM 0 HA LYS A 44 8.661 -13.749 -1.917 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.312 -11.674 -0.473 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.197 -13.299 0.173 1.00 0.81 H new ATOM 0 HG2 LYS A 44 12.197 -13.119 -1.184 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.072 -14.214 -1.964 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.350 -12.417 -3.500 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.406 -11.276 -2.692 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.321 -13.798 -4.133 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.400 -12.175 -4.790 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 14.512 -12.602 -3.931 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 13.785 -11.616 -2.755 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.912 -13.290 -2.500 1.00 3.63 H new ATOM 412 N ALA A 45 7.130 -11.817 0.213 1.00 0.57 N ATOM 413 CA ALA A 45 6.182 -11.778 1.321 1.00 0.59 C ATOM 414 C ALA A 45 4.771 -12.136 0.870 1.00 0.59 C ATOM 415 O ALA A 45 3.823 -12.068 1.656 1.00 0.66 O ATOM 416 CB ALA A 45 6.194 -10.409 1.982 1.00 0.56 C ATOM 0 H ALA A 45 7.308 -10.911 -0.220 1.00 0.57 H new ATOM 0 HA ALA A 45 6.496 -12.527 2.048 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.481 -10.397 2.807 1.00 0.56 H new ATOM 0 HB2 ALA A 45 7.193 -10.198 2.363 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.916 -9.650 1.251 1.00 0.56 H new ATOM 422 N ASN A 46 4.645 -12.526 -0.398 1.00 0.56 N ATOM 423 CA ASN A 46 3.357 -12.903 -0.983 1.00 0.60 C ATOM 424 C ASN A 46 2.388 -11.728 -0.948 1.00 0.54 C ATOM 425 O ASN A 46 1.181 -11.906 -0.789 1.00 0.63 O ATOM 426 CB ASN A 46 2.744 -14.109 -0.255 1.00 0.76 C ATOM 427 CG ASN A 46 3.570 -15.372 -0.399 1.00 1.41 C ATOM 428 OD1 ASN A 46 3.402 -16.131 -1.352 1.00 2.03 O ATOM 429 ND2 ASN A 46 4.457 -15.616 0.554 1.00 2.18 N ATOM 0 H ASN A 46 5.429 -12.590 -1.047 1.00 0.56 H new ATOM 0 HA ASN A 46 3.537 -13.185 -2.020 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.636 -13.871 0.803 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.742 -14.290 -0.645 1.00 0.76 H new ATOM 0 HD21 ASN A 46 5.031 -16.458 0.513 1.00 2.18 H new ATOM 0 HD22 ASN A 46 4.567 -14.961 1.329 1.00 2.18 H new ATOM 436 N LEU A 47 2.925 -10.529 -1.088 1.00 0.44 N ATOM 437 CA LEU A 47 2.119 -9.322 -1.041 1.00 0.42 C ATOM 438 C LEU A 47 1.851 -8.810 -2.446 1.00 0.41 C ATOM 439 O LEU A 47 2.770 -8.707 -3.264 1.00 0.58 O ATOM 440 CB LEU A 47 2.825 -8.239 -0.227 1.00 0.43 C ATOM 441 CG LEU A 47 3.090 -8.577 1.240 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.934 -7.493 1.880 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.786 -8.737 2.000 1.00 0.59 C ATOM 0 H LEU A 47 3.921 -10.365 -1.236 1.00 0.44 H new ATOM 0 HA LEU A 47 1.170 -9.564 -0.562 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.778 -8.014 -0.706 1.00 0.43 H new ATOM 0 HB3 LEU A 47 2.225 -7.330 -0.268 1.00 0.43 H new ATOM 0 HG LEU A 47 3.631 -9.522 1.282 1.00 0.45 H new ATOM 0 HD11 LEU A 47 4.117 -7.744 2.925 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.885 -7.414 1.354 1.00 0.47 H new ATOM 0 HD13 LEU A 47 3.408 -6.540 1.822 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.999 -8.977 3.042 1.00 0.59 H new ATOM 0 HD22 LEU A 47 1.220 -7.807 1.951 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.201 -9.542 1.554 1.00 0.59 H new ATOM 455 N ILE A 48 0.597 -8.496 -2.724 1.00 0.30 N ATOM 456 CA ILE A 48 0.227 -7.933 -4.009 1.00 0.32 C ATOM 457 C ILE A 48 0.551 -6.445 -4.020 1.00 0.32 C ATOM 458 O ILE A 48 -0.240 -5.622 -3.559 1.00 0.33 O ATOM 459 CB ILE A 48 -1.272 -8.146 -4.312 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.644 -9.622 -4.132 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.599 -7.681 -5.726 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.104 -9.925 -4.392 1.00 0.53 C ATOM 0 H ILE A 48 -0.181 -8.622 -2.077 1.00 0.30 H new ATOM 0 HA ILE A 48 0.798 -8.445 -4.783 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.858 -7.552 -3.611 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.033 -10.225 -4.804 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.396 -9.927 -3.116 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.659 -7.838 -5.924 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.364 -6.621 -5.824 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.008 -8.251 -6.442 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.287 -10.989 -4.244 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.723 -9.351 -3.702 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.355 -9.653 -5.417 1.00 0.53 H new ATOM 474 N LEU A 49 1.733 -6.112 -4.514 1.00 0.34 N ATOM 475 CA LEU A 49 2.199 -4.735 -4.521 1.00 0.35 C ATOM 476 C LEU A 49 1.979 -4.105 -5.891 1.00 0.35 C ATOM 477 O LEU A 49 2.438 -4.630 -6.909 1.00 0.44 O ATOM 478 CB LEU A 49 3.686 -4.680 -4.127 1.00 0.44 C ATOM 479 CG LEU A 49 4.277 -3.277 -3.902 1.00 0.58 C ATOM 480 CD1 LEU A 49 5.541 -3.365 -3.069 1.00 0.90 C ATOM 481 CD2 LEU A 49 4.599 -2.597 -5.222 1.00 1.14 C ATOM 0 H LEU A 49 2.390 -6.780 -4.917 1.00 0.34 H new ATOM 0 HA LEU A 49 1.625 -4.165 -3.790 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.820 -5.259 -3.213 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.266 -5.175 -4.906 1.00 0.44 H new ATOM 0 HG LEU A 49 3.528 -2.686 -3.375 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.948 -2.365 -2.918 1.00 0.90 H new ATOM 0 HD12 LEU A 49 5.309 -3.812 -2.102 1.00 0.90 H new ATOM 0 HD13 LEU A 49 6.276 -3.981 -3.587 1.00 0.90 H new ATOM 0 HD21 LEU A 49 5.015 -1.608 -5.030 1.00 1.14 H new ATOM 0 HD22 LEU A 49 5.325 -3.195 -5.772 1.00 1.14 H new ATOM 0 HD23 LEU A 49 3.688 -2.499 -5.813 1.00 1.14 H new ATOM 493 N ILE A 50 1.280 -2.981 -5.906 1.00 0.33 N ATOM 494 CA ILE A 50 1.051 -2.236 -7.133 1.00 0.34 C ATOM 495 C ILE A 50 1.886 -0.956 -7.123 1.00 0.32 C ATOM 496 O ILE A 50 1.623 -0.033 -6.348 1.00 0.36 O ATOM 497 CB ILE A 50 -0.442 -1.866 -7.338 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.344 -3.109 -7.298 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.629 -1.138 -8.663 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.714 -3.568 -5.901 1.00 0.94 C ATOM 0 H ILE A 50 0.859 -2.563 -5.076 1.00 0.33 H new ATOM 0 HA ILE A 50 1.348 -2.883 -7.958 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.733 -1.210 -6.518 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -2.258 -2.898 -7.852 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.840 -3.926 -7.814 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.681 -0.885 -8.794 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.033 -0.225 -8.664 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.307 -1.783 -9.481 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.351 -4.450 -5.965 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -0.808 -3.814 -5.347 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.249 -2.770 -5.386 1.00 0.94 H new ATOM 512 N THR A 51 2.910 -0.923 -7.961 1.00 0.32 N ATOM 513 CA THR A 51 3.784 0.235 -8.073 1.00 0.35 C ATOM 514 C THR A 51 3.127 1.358 -8.873 1.00 0.38 C ATOM 515 O THR A 51 2.833 1.201 -10.058 1.00 0.55 O ATOM 516 CB THR A 51 5.119 -0.160 -8.733 1.00 0.47 C ATOM 517 OG1 THR A 51 4.896 -1.199 -9.697 1.00 1.17 O ATOM 518 CG2 THR A 51 6.122 -0.636 -7.696 1.00 0.89 C ATOM 0 H THR A 51 3.158 -1.694 -8.580 1.00 0.32 H new ATOM 0 HA THR A 51 3.973 0.600 -7.064 1.00 0.35 H new ATOM 0 HB THR A 51 5.527 0.721 -9.228 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.747 -1.446 -10.115 1.00 1.17 H new ATOM 0 HG21 THR A 51 7.055 -0.908 -8.190 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.311 0.163 -6.979 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.721 -1.505 -7.174 1.00 0.89 H new ATOM 526 N VAL A 52 2.889 2.485 -8.215 1.00 0.39 N ATOM 527 CA VAL A 52 2.277 3.638 -8.857 1.00 0.49 C ATOM 528 C VAL A 52 3.002 4.917 -8.447 1.00 0.58 C ATOM 529 O VAL A 52 3.431 5.052 -7.305 1.00 0.80 O ATOM 530 CB VAL A 52 0.774 3.761 -8.492 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.066 2.764 -9.277 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.564 3.552 -6.997 1.00 1.04 C ATOM 0 H VAL A 52 3.113 2.624 -7.230 1.00 0.39 H new ATOM 0 HA VAL A 52 2.360 3.496 -9.934 1.00 0.49 H new ATOM 0 HB VAL A 52 0.452 4.768 -8.758 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.114 2.874 -9.000 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.049 2.952 -10.344 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.265 1.751 -9.050 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.497 3.642 -6.762 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.914 2.559 -6.716 1.00 1.04 H new ATOM 0 HG23 VAL A 52 1.124 4.305 -6.442 1.00 1.04 H new ATOM 542 N GLY A 53 3.162 5.850 -9.372 1.00 0.66 N ATOM 543 CA GLY A 53 3.748 7.120 -9.009 1.00 0.75 C ATOM 544 C GLY A 53 2.985 8.276 -9.606 1.00 0.81 C ATOM 545 O GLY A 53 3.290 8.725 -10.714 1.00 1.24 O ATOM 0 H GLY A 53 2.901 5.753 -10.353 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.764 7.216 -7.923 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.783 7.153 -9.348 1.00 0.75 H new ATOM 549 N ASP A 54 2.051 8.786 -8.809 1.00 0.71 N ATOM 550 CA ASP A 54 1.124 9.853 -9.184 1.00 0.82 C ATOM 551 C ASP A 54 -0.150 9.667 -8.367 1.00 0.70 C ATOM 552 O ASP A 54 -0.611 8.537 -8.191 1.00 0.64 O ATOM 553 CB ASP A 54 0.757 9.812 -10.671 1.00 1.08 C ATOM 554 CG ASP A 54 0.024 11.056 -11.112 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.221 11.069 -11.055 1.00 1.75 O ATOM 556 OD2 ASP A 54 0.696 12.029 -11.518 1.00 1.98 O ATOM 0 H ASP A 54 1.913 8.459 -7.853 1.00 0.71 H new ATOM 0 HA ASP A 54 1.605 10.811 -8.989 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.664 9.697 -11.264 1.00 1.08 H new ATOM 0 HB3 ASP A 54 0.136 8.938 -10.866 1.00 1.08 H new ATOM 561 N GLU A 55 -0.723 10.762 -7.876 1.00 0.80 N ATOM 562 CA GLU A 55 -1.886 10.690 -7.000 1.00 0.79 C ATOM 563 C GLU A 55 -3.080 10.088 -7.725 1.00 0.69 C ATOM 564 O GLU A 55 -3.990 9.550 -7.096 1.00 0.71 O ATOM 565 CB GLU A 55 -2.270 12.073 -6.465 1.00 0.95 C ATOM 566 CG GLU A 55 -1.105 12.884 -5.906 1.00 0.90 C ATOM 567 CD GLU A 55 -0.290 13.578 -6.984 1.00 1.53 C ATOM 568 OE1 GLU A 55 -0.686 14.681 -7.408 1.00 2.16 O ATOM 569 OE2 GLU A 55 0.748 13.024 -7.410 1.00 2.21 O ATOM 0 H GLU A 55 -0.400 11.710 -8.071 1.00 0.80 H new ATOM 0 HA GLU A 55 -1.612 10.049 -6.162 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -2.739 12.641 -7.268 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.019 11.950 -5.682 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.490 13.631 -5.212 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.453 12.224 -5.334 1.00 0.90 H new ATOM 576 N GLU A 56 -3.080 10.185 -9.047 1.00 0.70 N ATOM 577 CA GLU A 56 -4.167 9.645 -9.842 1.00 0.70 C ATOM 578 C GLU A 56 -3.956 8.161 -10.113 1.00 0.66 C ATOM 579 O GLU A 56 -4.915 7.395 -10.170 1.00 0.67 O ATOM 580 CB GLU A 56 -4.312 10.427 -11.143 1.00 0.82 C ATOM 581 CG GLU A 56 -4.739 11.866 -10.913 1.00 0.93 C ATOM 582 CD GLU A 56 -6.118 11.970 -10.292 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.098 12.155 -11.047 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.233 11.860 -9.049 1.00 1.89 O ATOM 0 H GLU A 56 -2.340 10.632 -9.588 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.093 9.749 -9.277 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.363 10.414 -11.678 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.044 9.932 -11.781 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.014 12.358 -10.264 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -4.731 12.400 -11.863 1.00 0.93 H new ATOM 591 N GLU A 57 -2.698 7.750 -10.253 1.00 0.65 N ATOM 592 CA GLU A 57 -2.387 6.334 -10.402 1.00 0.65 C ATOM 593 C GLU A 57 -2.741 5.580 -9.129 1.00 0.55 C ATOM 594 O GLU A 57 -3.141 4.415 -9.178 1.00 0.52 O ATOM 595 CB GLU A 57 -0.914 6.106 -10.748 1.00 0.73 C ATOM 596 CG GLU A 57 -0.544 6.517 -12.162 1.00 1.11 C ATOM 597 CD GLU A 57 0.742 5.869 -12.632 1.00 1.52 C ATOM 598 OE1 GLU A 57 0.680 5.001 -13.529 1.00 2.13 O ATOM 599 OE2 GLU A 57 1.820 6.211 -12.106 1.00 2.16 O ATOM 0 H GLU A 57 -1.888 8.370 -10.266 1.00 0.65 H new ATOM 0 HA GLU A 57 -2.987 5.955 -11.229 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.295 6.663 -10.044 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.678 5.050 -10.613 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.353 6.246 -12.840 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -0.439 7.601 -12.207 1.00 1.11 H new ATOM 606 N LEU A 58 -2.612 6.251 -7.988 1.00 0.52 N ATOM 607 CA LEU A 58 -2.992 5.649 -6.719 1.00 0.48 C ATOM 608 C LEU A 58 -4.489 5.365 -6.706 1.00 0.46 C ATOM 609 O LEU A 58 -4.927 4.346 -6.177 1.00 0.44 O ATOM 610 CB LEU A 58 -2.621 6.551 -5.536 1.00 0.52 C ATOM 611 CG LEU A 58 -2.780 5.893 -4.160 1.00 0.55 C ATOM 612 CD1 LEU A 58 -1.766 4.771 -3.979 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.640 6.920 -3.048 1.00 0.74 C ATOM 0 H LEU A 58 -2.251 7.202 -7.918 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.442 4.714 -6.613 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.587 6.875 -5.653 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.241 7.447 -5.570 1.00 0.52 H new ATOM 0 HG LEU A 58 -3.781 5.465 -4.105 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -1.896 4.318 -2.996 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -1.918 4.016 -4.750 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -0.757 5.176 -4.061 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.757 6.429 -2.082 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.655 7.383 -3.103 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.408 7.685 -3.161 1.00 0.74 H new ATOM 625 N LYS A 59 -5.266 6.257 -7.326 1.00 0.52 N ATOM 626 CA LYS A 59 -6.719 6.093 -7.405 1.00 0.57 C ATOM 627 C LYS A 59 -7.070 4.788 -8.102 1.00 0.51 C ATOM 628 O LYS A 59 -8.095 4.166 -7.825 1.00 0.58 O ATOM 629 CB LYS A 59 -7.375 7.249 -8.170 1.00 0.69 C ATOM 630 CG LYS A 59 -6.973 8.643 -7.706 1.00 0.76 C ATOM 631 CD LYS A 59 -7.182 8.843 -6.215 1.00 0.97 C ATOM 632 CE LYS A 59 -7.385 10.310 -5.875 1.00 1.64 C ATOM 633 NZ LYS A 59 -6.240 11.155 -6.314 1.00 2.26 N ATOM 0 H LYS A 59 -4.913 7.099 -7.780 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.097 6.084 -6.383 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.129 7.150 -9.227 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.457 7.153 -8.084 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -5.924 8.815 -7.949 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.553 9.386 -8.254 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.049 8.269 -5.887 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -6.320 8.458 -5.670 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.300 10.667 -6.348 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.520 10.416 -4.799 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -6.092 11.922 -5.628 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -5.381 10.572 -6.372 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -6.447 11.561 -7.249 1.00 2.26 H new ATOM 647 N LYS A 60 -6.203 4.389 -9.006 1.00 0.49 N ATOM 648 CA LYS A 60 -6.425 3.216 -9.824 1.00 0.48 C ATOM 649 C LYS A 60 -5.969 1.961 -9.094 1.00 0.41 C ATOM 650 O LYS A 60 -6.638 0.928 -9.137 1.00 0.41 O ATOM 651 CB LYS A 60 -5.665 3.396 -11.129 1.00 0.58 C ATOM 652 CG LYS A 60 -5.837 4.797 -11.693 1.00 0.72 C ATOM 653 CD LYS A 60 -7.208 4.997 -12.321 1.00 1.19 C ATOM 654 CE LYS A 60 -7.365 4.187 -13.597 1.00 1.91 C ATOM 655 NZ LYS A 60 -8.707 4.373 -14.210 1.00 2.35 N ATOM 0 H LYS A 60 -5.323 4.869 -9.195 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.489 3.100 -10.033 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.606 3.198 -10.963 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.016 2.665 -11.858 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -5.693 5.528 -10.897 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.066 4.984 -12.440 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.980 4.707 -11.609 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.357 6.054 -12.540 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -6.596 4.481 -14.311 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.209 3.131 -13.378 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -8.774 3.804 -15.078 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -9.441 4.068 -13.539 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -8.846 5.377 -14.443 1.00 2.35 H new ATOM 669 N ALA A 61 -4.838 2.069 -8.407 1.00 0.40 N ATOM 670 CA ALA A 61 -4.291 0.959 -7.642 1.00 0.39 C ATOM 671 C ALA A 61 -5.203 0.604 -6.474 1.00 0.32 C ATOM 672 O ALA A 61 -5.468 -0.570 -6.216 1.00 0.34 O ATOM 673 CB ALA A 61 -2.899 1.305 -7.141 1.00 0.47 C ATOM 0 H ALA A 61 -4.280 2.922 -8.365 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.224 0.090 -8.296 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.499 0.467 -6.570 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.247 1.509 -7.990 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -2.951 2.187 -6.503 1.00 0.47 H new ATOM 679 N ILE A 62 -5.684 1.630 -5.778 1.00 0.31 N ATOM 680 CA ILE A 62 -6.585 1.441 -4.642 1.00 0.37 C ATOM 681 C ILE A 62 -7.841 0.677 -5.057 1.00 0.36 C ATOM 682 O ILE A 62 -8.206 -0.322 -4.435 1.00 0.38 O ATOM 683 CB ILE A 62 -7.000 2.790 -4.004 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.783 3.502 -3.412 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.055 2.575 -2.929 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.094 4.874 -2.857 1.00 0.53 C ATOM 0 H ILE A 62 -5.465 2.605 -5.981 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.034 0.860 -3.902 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.425 3.418 -4.787 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.362 2.885 -2.618 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.017 3.596 -4.182 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.332 3.535 -2.494 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.936 2.109 -3.371 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.654 1.926 -2.150 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.184 5.318 -2.454 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.486 5.508 -3.652 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.836 4.786 -2.064 1.00 0.53 H new ATOM 698 N LYS A 63 -8.487 1.135 -6.124 1.00 0.37 N ATOM 699 CA LYS A 63 -9.720 0.512 -6.587 1.00 0.40 C ATOM 700 C LYS A 63 -9.443 -0.886 -7.142 1.00 0.35 C ATOM 701 O LYS A 63 -10.277 -1.784 -7.031 1.00 0.40 O ATOM 702 CB LYS A 63 -10.400 1.386 -7.645 1.00 0.49 C ATOM 703 CG LYS A 63 -11.792 0.906 -8.028 1.00 0.59 C ATOM 704 CD LYS A 63 -12.485 1.871 -8.978 1.00 1.21 C ATOM 705 CE LYS A 63 -11.729 2.006 -10.290 1.00 1.94 C ATOM 706 NZ LYS A 63 -12.414 2.929 -11.229 1.00 2.76 N ATOM 0 H LYS A 63 -8.179 1.931 -6.682 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.394 0.415 -5.736 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.467 2.408 -7.272 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.776 1.413 -8.538 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.721 -0.076 -8.496 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.395 0.787 -7.128 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.499 1.522 -9.176 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.571 2.849 -8.505 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -10.721 2.371 -10.093 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -11.628 1.025 -10.754 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -11.868 2.995 -12.112 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -13.367 2.568 -11.437 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -12.488 3.872 -10.797 1.00 2.76 H new ATOM 720 N LYS A 64 -8.260 -1.066 -7.721 1.00 0.34 N ATOM 721 CA LYS A 64 -7.855 -2.365 -8.239 1.00 0.39 C ATOM 722 C LYS A 64 -7.733 -3.365 -7.095 1.00 0.35 C ATOM 723 O LYS A 64 -8.237 -4.485 -7.179 1.00 0.40 O ATOM 724 CB LYS A 64 -6.522 -2.254 -8.985 1.00 0.51 C ATOM 725 CG LYS A 64 -6.069 -3.553 -9.634 1.00 1.05 C ATOM 726 CD LYS A 64 -4.727 -3.390 -10.328 1.00 1.04 C ATOM 727 CE LYS A 64 -4.283 -4.679 -11.001 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.182 -5.066 -12.119 1.00 2.11 N ATOM 0 H LYS A 64 -7.566 -0.328 -7.843 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.615 -2.714 -8.939 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.610 -1.486 -9.754 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.753 -1.920 -8.288 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.996 -4.333 -8.876 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.816 -3.880 -10.357 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.796 -2.596 -11.072 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -3.976 -3.082 -9.601 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.267 -4.559 -11.378 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.256 -5.481 -10.264 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.754 -5.848 -12.654 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.100 -5.370 -11.737 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -5.322 -4.251 -12.750 1.00 2.11 H new ATOM 742 N ALA A 65 -7.071 -2.940 -6.023 1.00 0.30 N ATOM 743 CA ALA A 65 -6.917 -3.767 -4.835 1.00 0.30 C ATOM 744 C ALA A 65 -8.277 -4.104 -4.236 1.00 0.33 C ATOM 745 O ALA A 65 -8.505 -5.222 -3.769 1.00 0.38 O ATOM 746 CB ALA A 65 -6.043 -3.058 -3.811 1.00 0.31 C ATOM 0 H ALA A 65 -6.631 -2.022 -5.955 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.431 -4.699 -5.122 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.935 -3.687 -2.927 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.060 -2.866 -4.242 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.506 -2.112 -3.530 1.00 0.31 H new ATOM 752 N ASP A 66 -9.175 -3.125 -4.264 1.00 0.35 N ATOM 753 CA ASP A 66 -10.548 -3.314 -3.805 1.00 0.41 C ATOM 754 C ASP A 66 -11.208 -4.462 -4.561 1.00 0.40 C ATOM 755 O ASP A 66 -11.706 -5.409 -3.955 1.00 0.47 O ATOM 756 CB ASP A 66 -11.352 -2.022 -4.004 1.00 0.48 C ATOM 757 CG ASP A 66 -12.813 -2.161 -3.610 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.607 -2.686 -4.417 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.187 -1.725 -2.498 1.00 1.36 O ATOM 0 H ASP A 66 -8.975 -2.184 -4.603 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.530 -3.561 -2.743 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.898 -1.225 -3.416 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.291 -1.721 -5.050 1.00 0.48 H new ATOM 764 N ASP A 67 -11.181 -4.377 -5.891 1.00 0.36 N ATOM 765 CA ASP A 67 -11.808 -5.386 -6.747 1.00 0.38 C ATOM 766 C ASP A 67 -11.214 -6.771 -6.523 1.00 0.40 C ATOM 767 O ASP A 67 -11.950 -7.744 -6.346 1.00 0.48 O ATOM 768 CB ASP A 67 -11.679 -5.012 -8.228 1.00 0.42 C ATOM 769 CG ASP A 67 -12.723 -4.010 -8.677 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.371 -2.834 -8.910 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.903 -4.397 -8.808 1.00 1.68 O ATOM 0 H ASP A 67 -10.730 -3.617 -6.401 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.863 -5.414 -6.473 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -10.686 -4.600 -8.408 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -11.764 -5.914 -8.834 1.00 0.42 H new ATOM 776 N ILE A 68 -9.885 -6.858 -6.519 1.00 0.37 N ATOM 777 CA ILE A 68 -9.198 -8.142 -6.389 1.00 0.41 C ATOM 778 C ILE A 68 -9.584 -8.842 -5.088 1.00 0.41 C ATOM 779 O ILE A 68 -9.737 -10.067 -5.048 1.00 0.47 O ATOM 780 CB ILE A 68 -7.660 -7.968 -6.448 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.243 -7.372 -7.795 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.955 -9.299 -6.219 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.756 -7.105 -7.912 1.00 0.51 C ATOM 0 H ILE A 68 -9.262 -6.055 -6.604 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.512 -8.760 -7.231 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.364 -7.283 -5.654 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.544 -8.052 -8.592 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.784 -6.439 -7.952 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.876 -9.152 -6.265 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.226 -9.691 -5.239 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.258 -10.008 -6.989 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.538 -6.684 -8.893 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.451 -6.400 -7.139 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.208 -8.039 -7.788 1.00 0.51 H new ATOM 795 N ALA A 69 -9.767 -8.053 -4.037 1.00 0.39 N ATOM 796 CA ALA A 69 -10.114 -8.584 -2.728 1.00 0.43 C ATOM 797 C ALA A 69 -11.499 -9.214 -2.730 1.00 0.47 C ATOM 798 O ALA A 69 -11.692 -10.309 -2.209 1.00 0.53 O ATOM 799 CB ALA A 69 -10.050 -7.485 -1.680 1.00 0.46 C ATOM 0 H ALA A 69 -9.680 -7.037 -4.068 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.389 -9.360 -2.484 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.312 -7.896 -0.705 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.040 -7.077 -1.642 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.752 -6.693 -1.940 1.00 0.46 H new ATOM 805 N LYS A 70 -12.454 -8.531 -3.345 1.00 0.52 N ATOM 806 CA LYS A 70 -13.855 -8.939 -3.271 1.00 0.65 C ATOM 807 C LYS A 70 -14.106 -10.208 -4.054 1.00 0.63 C ATOM 808 O LYS A 70 -14.985 -10.993 -3.698 1.00 0.72 O ATOM 809 CB LYS A 70 -14.771 -7.848 -3.818 1.00 0.87 C ATOM 810 CG LYS A 70 -14.421 -6.436 -3.372 1.00 1.09 C ATOM 811 CD LYS A 70 -14.464 -6.276 -1.860 1.00 1.14 C ATOM 812 CE LYS A 70 -14.055 -4.871 -1.445 1.00 1.14 C ATOM 813 NZ LYS A 70 -14.916 -3.835 -2.071 1.00 1.50 N ATOM 0 H LYS A 70 -12.287 -7.692 -3.901 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.074 -9.115 -2.218 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.747 -7.886 -4.907 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.795 -8.067 -3.514 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -13.425 -6.181 -3.733 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.116 -5.731 -3.829 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.470 -6.487 -1.498 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -13.799 -7.004 -1.395 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.111 -4.782 -0.360 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -13.016 -4.698 -1.726 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.563 -2.890 -1.817 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -14.896 -3.946 -3.105 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -15.893 -3.943 -1.730 1.00 1.50 H new ATOM 827 N LYS A 71 -13.349 -10.393 -5.124 1.00 0.62 N ATOM 828 CA LYS A 71 -13.492 -11.571 -5.960 1.00 0.76 C ATOM 829 C LYS A 71 -13.427 -12.833 -5.114 1.00 0.83 C ATOM 830 O LYS A 71 -14.207 -13.764 -5.302 1.00 1.03 O ATOM 831 CB LYS A 71 -12.393 -11.601 -7.026 1.00 0.84 C ATOM 832 CG LYS A 71 -12.432 -10.419 -7.984 1.00 1.26 C ATOM 833 CD LYS A 71 -11.245 -10.425 -8.940 1.00 1.71 C ATOM 834 CE LYS A 71 -11.271 -11.618 -9.885 1.00 2.27 C ATOM 835 NZ LYS A 71 -12.404 -11.548 -10.848 1.00 2.71 N ATOM 0 H LYS A 71 -12.629 -9.740 -5.433 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.463 -11.528 -6.453 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.422 -11.624 -6.532 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -12.481 -12.524 -7.599 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.359 -10.445 -8.556 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -12.435 -9.490 -7.414 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.245 -9.503 -9.522 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.319 -10.439 -8.366 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -10.331 -11.664 -10.435 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -11.346 -12.538 -9.305 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -12.306 -12.304 -11.555 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -13.302 -11.667 -10.337 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.397 -10.624 -11.326 1.00 2.71 H new ATOM 917 N ALA A 77 -10.012 -7.191 4.074 1.00 0.55 N ATOM 918 CA ALA A 77 -8.982 -6.726 3.163 1.00 0.44 C ATOM 919 C ALA A 77 -8.047 -5.747 3.860 1.00 0.37 C ATOM 920 O ALA A 77 -8.487 -4.752 4.437 1.00 0.42 O ATOM 921 CB ALA A 77 -9.609 -6.091 1.932 1.00 0.71 C ATOM 0 HA ALA A 77 -8.393 -7.585 2.843 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.823 -5.748 1.259 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.230 -6.826 1.420 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.224 -5.243 2.233 1.00 0.71 H new ATOM 927 N LYS A 78 -6.761 -6.046 3.817 1.00 0.35 N ATOM 928 CA LYS A 78 -5.748 -5.176 4.392 1.00 0.37 C ATOM 929 C LYS A 78 -4.900 -4.569 3.284 1.00 0.33 C ATOM 930 O LYS A 78 -4.303 -5.288 2.482 1.00 0.37 O ATOM 931 CB LYS A 78 -4.859 -5.952 5.368 1.00 0.50 C ATOM 932 CG LYS A 78 -5.459 -6.144 6.754 1.00 0.63 C ATOM 933 CD LYS A 78 -4.619 -7.107 7.581 1.00 0.89 C ATOM 934 CE LYS A 78 -4.876 -6.970 9.076 1.00 1.04 C ATOM 935 NZ LYS A 78 -6.312 -7.108 9.430 1.00 1.67 N ATOM 0 H LYS A 78 -6.390 -6.893 3.386 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.247 -4.378 4.942 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.642 -6.931 4.941 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -3.908 -5.429 5.467 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -5.524 -5.182 7.263 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.476 -6.526 6.665 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.834 -8.130 7.271 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -3.563 -6.928 7.379 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.301 -7.727 9.609 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.515 -5.999 9.414 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -6.400 -7.630 10.325 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.736 -6.164 9.536 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -6.807 -7.627 8.677 1.00 1.67 H new ATOM 949 N ILE A 79 -4.862 -3.248 3.232 1.00 0.29 N ATOM 950 CA ILE A 79 -4.104 -2.551 2.207 1.00 0.29 C ATOM 951 C ILE A 79 -3.108 -1.591 2.852 1.00 0.29 C ATOM 952 O ILE A 79 -3.468 -0.802 3.722 1.00 0.40 O ATOM 953 CB ILE A 79 -5.036 -1.769 1.250 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.110 -2.696 0.666 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.226 -1.122 0.130 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.107 -1.988 -0.227 1.00 0.49 C ATOM 0 H ILE A 79 -5.348 -2.637 3.888 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.566 -3.299 1.625 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.532 -0.983 1.819 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.623 -3.487 0.096 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.646 -3.177 1.484 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.896 -0.576 -0.535 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.498 -0.433 0.559 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.705 -1.895 -0.435 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.835 -2.708 -0.602 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.622 -1.215 0.344 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.583 -1.531 -1.066 1.00 0.49 H new ATOM 968 N LEU A 80 -1.856 -1.683 2.441 1.00 0.23 N ATOM 969 CA LEU A 80 -0.805 -0.820 2.965 1.00 0.28 C ATOM 970 C LEU A 80 -0.327 0.134 1.876 1.00 0.30 C ATOM 971 O LEU A 80 0.218 -0.302 0.870 1.00 0.45 O ATOM 972 CB LEU A 80 0.363 -1.678 3.463 1.00 0.40 C ATOM 973 CG LEU A 80 1.468 -0.937 4.223 1.00 0.57 C ATOM 974 CD1 LEU A 80 0.958 -0.434 5.564 1.00 1.22 C ATOM 975 CD2 LEU A 80 2.669 -1.852 4.412 1.00 1.40 C ATOM 0 H LEU A 80 -1.538 -2.352 1.740 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.199 -0.236 3.797 1.00 0.28 H new ATOM 0 HB2 LEU A 80 -0.036 -2.457 4.112 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.812 -2.177 2.605 1.00 0.40 H new ATOM 0 HG LEU A 80 1.775 -0.071 3.637 1.00 0.57 H new ATOM 0 HD11 LEU A 80 1.760 0.089 6.085 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.124 0.249 5.403 1.00 1.22 H new ATOM 0 HD13 LEU A 80 0.624 -1.279 6.166 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.451 -1.319 4.953 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.370 -2.732 4.981 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.048 -2.161 3.438 1.00 1.40 H new ATOM 987 N ILE A 81 -0.543 1.430 2.068 1.00 0.27 N ATOM 988 CA ILE A 81 -0.127 2.420 1.076 1.00 0.27 C ATOM 989 C ILE A 81 1.155 3.117 1.517 1.00 0.27 C ATOM 990 O ILE A 81 1.120 4.029 2.342 1.00 0.33 O ATOM 991 CB ILE A 81 -1.220 3.489 0.819 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.504 2.841 0.292 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.719 4.534 -0.173 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.659 3.811 0.131 1.00 0.38 C ATOM 0 H ILE A 81 -0.999 1.820 2.893 1.00 0.27 H new ATOM 0 HA ILE A 81 0.045 1.876 0.147 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.443 3.978 1.767 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.296 2.376 -0.671 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.803 2.044 0.973 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.498 5.277 -0.343 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.168 5.023 0.230 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.468 4.049 -1.117 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.532 3.278 -0.246 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.896 4.258 1.096 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.380 4.595 -0.573 1.00 0.38 H new ATOM 1006 N LEU A 82 2.278 2.682 0.969 1.00 0.27 N ATOM 1007 CA LEU A 82 3.569 3.273 1.288 1.00 0.31 C ATOM 1008 C LEU A 82 3.880 4.407 0.320 1.00 0.34 C ATOM 1009 O LEU A 82 4.335 4.178 -0.792 1.00 0.59 O ATOM 1010 CB LEU A 82 4.680 2.219 1.207 1.00 0.43 C ATOM 1011 CG LEU A 82 4.459 0.957 2.046 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.674 0.052 1.981 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.148 1.315 3.486 1.00 1.08 C ATOM 0 H LEU A 82 2.322 1.916 0.296 1.00 0.27 H new ATOM 0 HA LEU A 82 3.523 3.664 2.305 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.801 1.924 0.165 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.617 2.681 1.518 1.00 0.43 H new ATOM 0 HG LEU A 82 3.604 0.422 1.632 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.497 -0.839 2.584 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.855 -0.240 0.947 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.544 0.583 2.366 1.00 1.61 H new ATOM 0 HD21 LEU A 82 3.995 0.403 4.063 1.00 1.08 H new ATOM 0 HD22 LEU A 82 4.981 1.876 3.909 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.244 1.923 3.523 1.00 1.08 H new ATOM 1025 N LEU A 83 3.644 5.627 0.744 1.00 0.35 N ATOM 1026 CA LEU A 83 3.869 6.781 -0.112 1.00 0.42 C ATOM 1027 C LEU A 83 4.878 7.719 0.519 1.00 0.44 C ATOM 1028 O LEU A 83 5.185 7.597 1.704 1.00 0.55 O ATOM 1029 CB LEU A 83 2.543 7.511 -0.380 1.00 0.45 C ATOM 1030 CG LEU A 83 1.571 7.621 0.807 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.123 8.532 1.889 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.217 8.125 0.334 1.00 1.13 C ATOM 0 H LEU A 83 3.296 5.852 1.676 1.00 0.35 H new ATOM 0 HA LEU A 83 4.272 6.437 -1.064 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.772 8.518 -0.729 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.030 7.000 -1.195 1.00 0.45 H new ATOM 0 HG LEU A 83 1.450 6.626 1.235 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.413 8.589 2.714 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.070 8.133 2.252 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.283 9.529 1.479 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.461 8.198 1.184 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.334 9.108 -0.123 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.194 7.431 -0.399 1.00 1.13 H new ATOM 1044 N GLU A 84 5.411 8.650 -0.256 1.00 0.43 N ATOM 1045 CA GLU A 84 6.228 9.686 0.335 1.00 0.45 C ATOM 1046 C GLU A 84 5.417 10.964 0.359 1.00 0.47 C ATOM 1047 O GLU A 84 5.278 11.652 -0.658 1.00 0.54 O ATOM 1048 CB GLU A 84 7.525 9.891 -0.455 1.00 0.55 C ATOM 1049 CG GLU A 84 8.480 10.875 0.205 1.00 1.29 C ATOM 1050 CD GLU A 84 9.722 11.137 -0.619 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.609 10.266 -0.662 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.826 12.230 -1.215 1.00 2.04 O ATOM 0 H GLU A 84 5.295 8.707 -1.268 1.00 0.43 H new ATOM 0 HA GLU A 84 6.511 9.395 1.346 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.027 8.931 -0.572 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.281 10.247 -1.456 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.960 11.817 0.378 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.773 10.489 1.181 1.00 1.29 H new ATOM 1059 N LYS A 85 4.878 11.258 1.527 1.00 0.45 N ATOM 1060 CA LYS A 85 4.076 12.445 1.742 1.00 0.56 C ATOM 1061 C LYS A 85 3.706 12.541 3.216 1.00 0.53 C ATOM 1062 O LYS A 85 3.388 11.525 3.832 1.00 0.53 O ATOM 1063 CB LYS A 85 2.803 12.380 0.893 1.00 0.74 C ATOM 1064 CG LYS A 85 1.999 13.662 0.904 1.00 1.00 C ATOM 1065 CD LYS A 85 0.720 13.516 0.103 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.065 14.818 0.078 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.346 15.323 1.448 1.00 2.02 N ATOM 0 H LYS A 85 4.986 10.676 2.358 1.00 0.45 H new ATOM 0 HA LYS A 85 4.649 13.325 1.450 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.074 12.140 -0.135 1.00 0.74 H new ATOM 0 HB3 LYS A 85 2.176 11.565 1.255 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.758 13.934 1.932 1.00 1.00 H new ATOM 0 HG3 LYS A 85 2.599 14.474 0.492 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.959 13.213 -0.916 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.106 12.726 0.535 1.00 0.91 H new ATOM 0 HE2 LYS A 85 0.496 15.569 -0.478 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -1.005 14.665 -0.452 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.047 16.090 1.398 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.720 14.549 2.033 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 0.532 15.684 1.872 1.00 2.02 H new ATOM 1081 N PRO A 86 3.768 13.733 3.817 1.00 0.60 N ATOM 1082 CA PRO A 86 3.196 13.957 5.144 1.00 0.62 C ATOM 1083 C PRO A 86 1.675 13.846 5.083 1.00 0.61 C ATOM 1084 O PRO A 86 1.021 14.598 4.356 1.00 0.68 O ATOM 1085 CB PRO A 86 3.624 15.386 5.498 1.00 0.74 C ATOM 1086 CG PRO A 86 4.702 15.730 4.525 1.00 0.85 C ATOM 1087 CD PRO A 86 4.415 14.936 3.284 1.00 0.74 C ATOM 0 HA PRO A 86 3.532 13.229 5.883 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.786 16.078 5.417 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.988 15.444 6.524 1.00 0.74 H new ATOM 0 HG2 PRO A 86 4.707 16.799 4.311 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.684 15.481 4.928 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.763 15.477 2.598 1.00 0.74 H new ATOM 0 HD3 PRO A 86 5.326 14.697 2.736 1.00 0.74 H new ATOM 1095 N VAL A 87 1.115 12.902 5.826 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.307 12.608 5.722 1.00 0.62 C ATOM 1097 C VAL A 87 -1.024 12.713 7.064 1.00 0.62 C ATOM 1098 O VAL A 87 -0.463 12.412 8.122 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.558 11.201 5.132 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.149 11.148 3.668 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.183 10.136 5.932 1.00 0.88 C ATOM 0 H VAL A 87 1.620 12.330 6.503 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.714 13.363 5.049 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.626 10.996 5.197 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.335 10.149 3.274 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.731 11.875 3.101 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.912 11.382 3.578 1.00 1.17 H new ATOM 0 HG21 VAL A 87 -0.009 9.155 5.497 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.253 10.341 5.906 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.164 10.150 6.965 1.00 0.88 H new ATOM 1111 N SER A 88 -2.265 13.169 7.001 1.00 0.69 N ATOM 1112 CA SER A 88 -3.151 13.188 8.150 1.00 0.76 C ATOM 1113 C SER A 88 -4.109 12.001 8.067 1.00 0.72 C ATOM 1114 O SER A 88 -4.526 11.607 6.974 1.00 0.69 O ATOM 1115 CB SER A 88 -3.935 14.506 8.182 1.00 0.92 C ATOM 1116 OG SER A 88 -4.894 14.518 9.227 1.00 1.44 O ATOM 0 H SER A 88 -2.686 13.537 6.148 1.00 0.69 H new ATOM 0 HA SER A 88 -2.565 13.111 9.066 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.243 15.338 8.313 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.436 14.655 7.226 1.00 0.92 H new ATOM 0 HG SER A 88 -5.374 15.372 9.220 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.462 11.410 9.226 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.367 10.251 9.304 1.00 0.79 C ATOM 1124 C PRO A 89 -6.736 10.528 8.684 1.00 0.67 C ATOM 1125 O PRO A 89 -7.489 9.599 8.387 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.506 9.991 10.810 1.00 0.98 C ATOM 1127 CG PRO A 89 -5.040 11.245 11.468 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.994 11.818 10.560 1.00 0.92 C ATOM 0 HA PRO A 89 -4.971 9.401 8.748 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.539 9.766 11.077 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -4.904 9.137 11.119 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.865 11.944 11.605 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.629 11.039 12.456 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.929 12.902 10.652 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.004 11.419 10.781 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.052 11.805 8.499 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.275 12.207 7.819 1.00 0.72 C ATOM 1138 C GLU A 90 -8.241 11.754 6.359 1.00 0.64 C ATOM 1139 O GLU A 90 -9.209 11.197 5.847 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.444 13.727 7.911 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.602 14.282 7.093 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.949 13.712 7.488 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.407 13.983 8.619 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.566 13.012 6.659 1.00 2.37 O ATOM 0 H GLU A 90 -6.473 12.583 8.813 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.127 11.731 8.304 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.589 14.002 8.956 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.521 14.204 7.581 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.628 15.366 7.204 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.424 14.074 6.038 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.104 11.964 5.705 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.946 11.568 4.311 1.00 0.62 C ATOM 1153 C TYR A 91 -6.869 10.053 4.201 1.00 0.52 C ATOM 1154 O TYR A 91 -7.259 9.473 3.188 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.704 12.220 3.701 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.811 13.724 3.612 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -6.384 14.335 2.504 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.350 14.532 4.640 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -6.493 15.709 2.426 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -5.456 15.907 4.571 1.00 3.00 C ATOM 1161 CZ TYR A 91 -6.027 16.490 3.461 1.00 2.89 C ATOM 1162 OH TYR A 91 -6.136 17.861 3.387 1.00 3.78 O ATOM 0 H TYR A 91 -6.281 12.405 6.116 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.816 11.912 3.751 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.832 11.958 4.300 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -5.540 11.813 2.703 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -6.750 13.726 1.691 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -4.900 14.078 5.510 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -6.941 16.169 1.558 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.094 16.521 5.382 1.00 3.00 H new ATOM 0 HH TYR A 91 -5.761 18.263 4.198 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.383 9.420 5.261 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.389 7.971 5.354 1.00 0.42 C ATOM 1174 C GLU A 92 -7.822 7.461 5.311 1.00 0.42 C ATOM 1175 O GLU A 92 -8.128 6.498 4.616 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.710 7.519 6.646 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.826 6.026 6.902 1.00 0.49 C ATOM 1178 CD GLU A 92 -5.136 5.597 8.179 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.775 5.651 9.252 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.955 5.205 8.118 1.00 1.14 O ATOM 0 H GLU A 92 -5.979 9.892 6.070 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.836 7.560 4.510 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.655 7.792 6.607 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.149 8.059 7.485 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.880 5.751 6.953 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.395 5.483 6.061 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.698 8.143 6.037 1.00 0.47 N ATOM 1188 CA LYS A 93 -10.105 7.782 6.109 1.00 0.54 C ATOM 1189 C LYS A 93 -10.781 7.997 4.760 1.00 0.53 C ATOM 1190 O LYS A 93 -11.729 7.297 4.415 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.802 8.616 7.188 1.00 0.69 C ATOM 1192 CG LYS A 93 -12.272 8.285 7.371 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.922 9.200 8.393 1.00 2.25 C ATOM 1194 CE LYS A 93 -14.407 8.915 8.532 1.00 2.80 C ATOM 1195 NZ LYS A 93 -15.046 9.790 9.550 1.00 3.25 N ATOM 0 H LYS A 93 -8.452 8.962 6.592 1.00 0.47 H new ATOM 0 HA LYS A 93 -10.183 6.726 6.369 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.286 8.468 8.137 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.707 9.672 6.935 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.789 8.378 6.416 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -12.376 7.248 7.690 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -12.434 9.072 9.359 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -12.776 10.239 8.097 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -14.896 9.061 7.569 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.552 7.871 8.808 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -16.059 9.564 9.615 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -14.596 9.633 10.474 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -14.930 10.786 9.274 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.284 8.964 3.999 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.821 9.242 2.673 1.00 0.59 C ATOM 1211 C LYS A 94 -10.452 8.118 1.708 1.00 0.52 C ATOM 1212 O LYS A 94 -11.286 7.656 0.931 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.302 10.582 2.147 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.574 11.753 3.078 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.195 13.075 2.433 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.226 14.227 3.430 1.00 1.97 C ATOM 1217 NZ LYS A 94 -11.510 14.300 4.181 1.00 2.44 N ATOM 0 H LYS A 94 -9.511 9.568 4.277 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.907 9.301 2.748 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.228 10.505 1.980 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.761 10.785 1.180 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.630 11.768 3.347 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.011 11.623 4.002 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -9.197 12.995 2.002 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -10.880 13.287 1.612 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -9.403 14.114 4.135 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -10.065 15.166 2.900 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -11.667 15.275 4.507 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -12.293 14.013 3.559 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -11.469 13.663 5.002 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.203 7.674 1.772 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.743 6.572 0.932 1.00 0.45 C ATOM 1233 C LEU A 95 -9.326 5.251 1.424 1.00 0.39 C ATOM 1234 O LEU A 95 -9.640 4.362 0.633 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.213 6.505 0.923 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.508 7.770 0.419 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.999 7.584 0.442 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.978 8.129 -0.983 1.00 1.12 C ATOM 0 H LEU A 95 -8.491 8.058 2.394 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.088 6.749 -0.087 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.868 6.295 1.936 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.906 5.664 0.301 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.767 8.592 1.086 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.515 8.492 0.081 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.673 7.380 1.462 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.726 6.747 -0.201 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.464 9.030 -1.320 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.754 7.308 -1.663 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.053 8.307 -0.972 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.474 5.139 2.738 1.00 0.37 N ATOM 1251 CA GLN A 96 -10.090 3.974 3.361 1.00 0.40 C ATOM 1252 C GLN A 96 -11.569 3.909 2.975 1.00 0.45 C ATOM 1253 O GLN A 96 -12.171 2.841 2.938 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.907 4.061 4.891 1.00 0.53 C ATOM 1255 CG GLN A 96 -10.350 2.835 5.691 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.844 2.803 5.973 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -12.447 1.737 6.058 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.446 3.970 6.149 1.00 2.20 N ATOM 0 H GLN A 96 -9.171 5.852 3.401 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.611 3.060 3.011 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.853 4.246 5.101 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.461 4.927 5.254 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.072 1.934 5.144 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.809 2.813 6.637 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.913 4.836 6.071 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.443 4.003 6.363 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.145 5.070 2.686 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.531 5.151 2.232 1.00 0.64 C ATOM 1269 C LYS A 97 -13.644 4.820 0.740 1.00 0.65 C ATOM 1270 O LYS A 97 -14.714 4.448 0.254 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.091 6.551 2.510 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.539 6.747 2.082 1.00 1.44 C ATOM 1273 CD LYS A 97 -16.466 5.756 2.766 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.914 5.984 2.367 1.00 2.39 C ATOM 1275 NZ LYS A 97 -18.829 4.994 2.990 1.00 2.87 N ATOM 0 H LYS A 97 -11.673 5.972 2.758 1.00 0.52 H new ATOM 0 HA LYS A 97 -14.116 4.415 2.784 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -14.010 6.756 3.577 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.471 7.285 1.996 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.854 7.763 2.319 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.618 6.633 1.001 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -16.171 4.740 2.505 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -16.366 5.849 3.847 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -18.216 6.990 2.659 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -18.004 5.927 1.282 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -19.806 5.187 2.690 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -18.559 4.035 2.691 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -18.764 5.065 4.026 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.539 4.948 0.020 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.538 4.717 -1.421 1.00 0.68 C ATOM 1291 C TYR A 98 -12.610 3.220 -1.721 1.00 0.64 C ATOM 1292 O TYR A 98 -13.348 2.783 -2.609 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.285 5.331 -2.053 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.359 5.470 -3.557 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.245 6.363 -4.141 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.536 4.725 -4.391 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.315 6.508 -5.512 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.600 4.862 -5.765 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.491 5.757 -6.319 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.555 5.905 -7.684 1.00 3.64 O ATOM 0 H TYR A 98 -11.632 5.210 0.407 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.417 5.196 -1.853 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.115 6.315 -1.616 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.423 4.715 -1.797 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -12.892 6.956 -3.512 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.834 4.027 -3.959 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.013 7.207 -5.949 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.956 4.272 -6.401 1.00 2.50 H new ATOM 0 HH TYR A 98 -10.908 5.304 -8.109 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.847 2.442 -0.970 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.850 0.995 -1.110 1.00 0.56 C ATOM 1312 C ALA A 99 -12.355 0.355 0.165 1.00 0.52 C ATOM 1313 O ALA A 99 -11.917 0.722 1.253 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.452 0.490 -1.427 1.00 0.59 C ATOM 0 H ALA A 99 -11.213 2.792 -0.252 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.512 0.725 -1.932 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.471 -0.595 -1.529 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.107 0.936 -2.360 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.774 0.767 -0.620 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.268 -0.598 0.046 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.804 -1.243 1.232 1.00 0.53 C ATOM 1322 C ASP A 100 -12.776 -2.217 1.770 1.00 0.47 C ATOM 1323 O ASP A 100 -12.610 -3.328 1.260 1.00 0.51 O ATOM 1324 CB ASP A 100 -15.119 -1.963 0.920 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.642 -2.764 2.098 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.017 -2.156 3.124 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.690 -4.008 2.000 1.00 1.73 O ATOM 0 H ASP A 100 -13.645 -0.935 -0.840 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.018 -0.485 1.985 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.869 -1.229 0.623 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.971 -2.629 0.070 1.00 0.66 H new ATOM 1332 N ALA A 101 -12.103 -1.771 2.810 1.00 0.42 N ATOM 1333 CA ALA A 101 -11.013 -2.497 3.424 1.00 0.39 C ATOM 1334 C ALA A 101 -10.561 -1.740 4.643 1.00 0.37 C ATOM 1335 O ALA A 101 -11.215 -0.788 5.070 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.861 -2.645 2.439 1.00 0.43 C ATOM 0 H ALA A 101 -12.302 -0.878 3.260 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.346 -3.494 3.711 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.046 -3.193 2.912 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.202 -3.190 1.559 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.509 -1.658 2.140 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.452 -2.154 5.204 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.794 -1.353 6.195 1.00 0.31 C ATOM 1344 C GLU A 102 -7.420 -0.935 5.672 1.00 0.29 C ATOM 1345 O GLU A 102 -6.417 -1.633 5.849 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.698 -2.092 7.531 1.00 0.41 C ATOM 1347 CG GLU A 102 -7.863 -3.368 7.506 1.00 0.76 C ATOM 1348 CD GLU A 102 -7.294 -3.723 8.866 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -7.633 -4.800 9.395 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -6.487 -2.928 9.410 1.00 1.77 O ATOM 0 H GLU A 102 -8.991 -3.038 4.990 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.382 -0.455 6.382 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -8.276 -1.415 8.274 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -9.706 -2.342 7.863 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -8.479 -4.193 7.148 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -7.046 -3.248 6.795 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.377 0.193 4.983 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.122 0.664 4.435 1.00 0.32 C ATOM 1359 C VAL A 103 -5.338 1.400 5.505 1.00 0.32 C ATOM 1360 O VAL A 103 -5.893 2.158 6.303 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.295 1.566 3.184 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.760 2.961 3.550 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.996 1.643 2.406 1.00 1.05 C ATOM 0 H VAL A 103 -8.183 0.789 4.793 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.573 -0.218 4.105 1.00 0.32 H new ATOM 0 HB VAL A 103 -7.066 1.111 2.561 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.868 3.558 2.644 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.720 2.902 4.062 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -6.027 3.428 4.207 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.133 2.279 1.531 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.216 2.062 3.041 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.704 0.643 2.085 1.00 1.05 H new ATOM 1373 N ARG A 104 -4.060 1.124 5.548 1.00 0.33 N ATOM 1374 CA ARG A 104 -3.171 1.779 6.471 1.00 0.37 C ATOM 1375 C ARG A 104 -2.185 2.606 5.680 1.00 0.33 C ATOM 1376 O ARG A 104 -1.231 2.071 5.109 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.448 0.738 7.324 1.00 0.46 C ATOM 1378 CG ARG A 104 -3.400 -0.215 8.024 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.661 -1.306 8.774 1.00 1.26 C ATOM 1380 NE ARG A 104 -3.587 -2.281 9.350 1.00 1.50 N ATOM 1381 CZ ARG A 104 -3.212 -3.323 10.082 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -1.930 -3.543 10.334 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -4.127 -4.150 10.565 1.00 2.71 N ATOM 0 H ARG A 104 -3.607 0.439 4.944 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.733 2.430 7.141 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.768 0.166 6.692 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.837 1.247 8.070 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -4.026 0.344 8.720 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -4.066 -0.667 7.289 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.972 -1.812 8.097 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -2.060 -0.861 9.567 1.00 1.26 H new ATOM 0 HE ARG A 104 -4.584 -2.152 9.178 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -1.222 -2.909 9.965 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -1.652 -4.346 10.897 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -5.115 -3.985 10.374 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -3.843 -4.952 11.128 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.438 3.901 5.593 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.568 4.763 4.828 1.00 0.31 C ATOM 1399 C VAL A 105 -0.261 4.954 5.587 1.00 0.31 C ATOM 1400 O VAL A 105 -0.261 5.118 6.812 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.210 6.130 4.497 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.529 5.933 3.764 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.401 6.973 5.748 1.00 0.71 C ATOM 0 H VAL A 105 -3.228 4.369 6.037 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.380 4.278 3.870 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.529 6.672 3.841 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.968 6.905 3.538 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.352 5.390 2.836 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -4.213 5.363 4.393 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.854 7.927 5.478 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -3.052 6.446 6.446 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.434 7.151 6.218 1.00 0.71 H new ATOM 1413 N ARG A 106 0.848 4.887 4.881 1.00 0.31 N ATOM 1414 CA ARG A 106 2.143 4.930 5.523 1.00 0.35 C ATOM 1415 C ARG A 106 3.109 5.794 4.728 1.00 0.29 C ATOM 1416 O ARG A 106 3.275 5.608 3.522 1.00 0.31 O ATOM 1417 CB ARG A 106 2.696 3.513 5.652 1.00 0.46 C ATOM 1418 CG ARG A 106 3.921 3.401 6.540 1.00 0.79 C ATOM 1419 CD ARG A 106 3.645 3.909 7.948 1.00 0.87 C ATOM 1420 NE ARG A 106 2.567 3.168 8.604 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.747 3.692 9.515 1.00 1.70 C ATOM 1422 NH1 ARG A 106 1.875 4.963 9.880 1.00 1.88 N ATOM 1423 NH2 ARG A 106 0.802 2.939 10.062 1.00 2.63 N ATOM 0 H ARG A 106 0.878 4.803 3.865 1.00 0.31 H new ATOM 0 HA ARG A 106 2.028 5.368 6.515 1.00 0.35 H new ATOM 0 HB2 ARG A 106 1.914 2.865 6.048 1.00 0.46 H new ATOM 0 HB3 ARG A 106 2.946 3.141 4.658 1.00 0.46 H new ATOM 0 HG2 ARG A 106 4.244 2.361 6.585 1.00 0.79 H new ATOM 0 HG3 ARG A 106 4.741 3.970 6.102 1.00 0.79 H new ATOM 0 HD2 ARG A 106 4.553 3.829 8.545 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.383 4.966 7.906 1.00 0.87 H new ATOM 0 HE ARG A 106 2.435 2.189 8.348 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.603 5.543 9.463 1.00 1.88 H new ATOM 0 HH12 ARG A 106 1.245 5.359 10.577 1.00 1.88 H new ATOM 0 HH21 ARG A 106 0.704 1.962 9.785 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.173 3.337 10.759 1.00 2.63 H new ATOM 1437 N THR A 107 3.732 6.743 5.399 1.00 0.34 N ATOM 1438 CA THR A 107 4.720 7.588 4.763 1.00 0.36 C ATOM 1439 C THR A 107 6.113 6.966 4.905 1.00 0.40 C ATOM 1440 O THR A 107 6.540 6.600 6.002 1.00 0.56 O ATOM 1441 CB THR A 107 4.688 9.026 5.340 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.535 9.893 4.577 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.111 9.063 6.803 1.00 0.64 C ATOM 0 H THR A 107 3.570 6.947 6.385 1.00 0.34 H new ATOM 0 HA THR A 107 4.479 7.661 3.703 1.00 0.36 H new ATOM 0 HB THR A 107 3.656 9.372 5.276 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.031 10.690 4.309 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.074 10.090 7.167 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.435 8.445 7.393 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.127 8.681 6.898 1.00 0.64 H new ATOM 1451 N VAL A 108 6.795 6.800 3.783 1.00 0.44 N ATOM 1452 CA VAL A 108 8.129 6.220 3.776 1.00 0.60 C ATOM 1453 C VAL A 108 9.153 7.249 3.318 1.00 0.68 C ATOM 1454 O VAL A 108 8.864 8.096 2.474 1.00 0.86 O ATOM 1455 CB VAL A 108 8.209 4.964 2.875 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.365 3.839 3.454 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.769 5.279 1.451 1.00 0.97 C ATOM 0 H VAL A 108 6.445 7.060 2.861 1.00 0.44 H new ATOM 0 HA VAL A 108 8.353 5.914 4.798 1.00 0.60 H new ATOM 0 HB VAL A 108 9.249 4.640 2.842 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.433 2.964 2.808 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.731 3.585 4.449 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.326 4.161 3.521 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.836 4.378 0.842 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.739 5.636 1.459 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.417 6.049 1.032 1.00 0.97 H new ATOM 1467 N THR A 109 10.335 7.195 3.907 1.00 0.68 N ATOM 1468 CA THR A 109 11.393 8.135 3.580 1.00 0.78 C ATOM 1469 C THR A 109 12.503 7.477 2.771 1.00 0.71 C ATOM 1470 O THR A 109 13.038 8.073 1.835 1.00 0.88 O ATOM 1471 CB THR A 109 11.988 8.745 4.859 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.039 7.747 5.890 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.165 9.933 5.330 1.00 1.11 C ATOM 0 H THR A 109 10.587 6.507 4.617 1.00 0.68 H new ATOM 0 HA THR A 109 10.946 8.922 2.973 1.00 0.78 H new ATOM 0 HB THR A 109 12.996 9.095 4.638 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.420 8.137 6.704 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.608 10.346 6.236 1.00 1.11 H new ATOM 0 HG22 THR A 109 11.151 10.697 4.553 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.145 9.609 5.539 1.00 1.11 H new ATOM 1481 N SER A 110 12.844 6.247 3.124 1.00 0.59 N ATOM 1482 CA SER A 110 13.939 5.546 2.475 1.00 0.54 C ATOM 1483 C SER A 110 13.532 4.111 2.131 1.00 0.49 C ATOM 1484 O SER A 110 12.560 3.606 2.695 1.00 0.51 O ATOM 1485 CB SER A 110 15.163 5.554 3.395 1.00 0.62 C ATOM 1486 OG SER A 110 15.415 6.858 3.900 1.00 0.93 O ATOM 0 H SER A 110 12.377 5.714 3.857 1.00 0.59 H new ATOM 0 HA SER A 110 14.188 6.055 1.544 1.00 0.54 H new ATOM 0 HB2 SER A 110 15.003 4.864 4.224 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.036 5.198 2.848 1.00 0.62 H new ATOM 0 HG SER A 110 16.200 6.836 4.486 1.00 0.93 H new ATOM 1492 N PRO A 111 14.241 3.445 1.195 1.00 0.49 N ATOM 1493 CA PRO A 111 13.928 2.066 0.787 1.00 0.49 C ATOM 1494 C PRO A 111 13.712 1.121 1.970 1.00 0.45 C ATOM 1495 O PRO A 111 12.735 0.368 2.006 1.00 0.50 O ATOM 1496 CB PRO A 111 15.170 1.648 0.000 1.00 0.58 C ATOM 1497 CG PRO A 111 15.687 2.916 -0.577 1.00 0.60 C ATOM 1498 CD PRO A 111 15.391 3.988 0.439 1.00 0.54 C ATOM 0 HA PRO A 111 12.997 2.018 0.222 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.909 1.175 0.646 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.922 0.928 -0.780 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.757 2.848 -0.771 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.204 3.137 -1.529 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.247 4.172 1.089 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.145 4.936 -0.039 1.00 0.54 H new ATOM 1506 N ASP A 112 14.615 1.184 2.944 1.00 0.47 N ATOM 1507 CA ASP A 112 14.567 0.289 4.100 1.00 0.49 C ATOM 1508 C ASP A 112 13.313 0.514 4.935 1.00 0.43 C ATOM 1509 O ASP A 112 12.807 -0.419 5.557 1.00 0.45 O ATOM 1510 CB ASP A 112 15.816 0.451 4.967 1.00 0.60 C ATOM 1511 CG ASP A 112 17.048 -0.147 4.317 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.747 0.573 3.577 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.320 -1.345 4.536 1.00 2.04 O ATOM 0 H ASP A 112 15.391 1.846 2.957 1.00 0.47 H new ATOM 0 HA ASP A 112 14.536 -0.731 3.717 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.987 1.510 5.160 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.650 -0.026 5.933 1.00 0.60 H new ATOM 1518 N GLU A 113 12.801 1.739 4.934 1.00 0.43 N ATOM 1519 CA GLU A 113 11.577 2.050 5.666 1.00 0.45 C ATOM 1520 C GLU A 113 10.402 1.273 5.094 1.00 0.37 C ATOM 1521 O GLU A 113 9.563 0.767 5.836 1.00 0.40 O ATOM 1522 CB GLU A 113 11.283 3.550 5.630 1.00 0.57 C ATOM 1523 CG GLU A 113 12.220 4.365 6.500 1.00 0.78 C ATOM 1524 CD GLU A 113 12.192 3.912 7.944 1.00 1.46 C ATOM 1525 OE1 GLU A 113 13.103 3.167 8.353 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.251 4.289 8.673 1.00 2.13 O ATOM 0 H GLU A 113 13.211 2.530 4.438 1.00 0.43 H new ATOM 0 HA GLU A 113 11.723 1.754 6.705 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.354 3.903 4.601 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.256 3.720 5.955 1.00 0.57 H new ATOM 0 HG2 GLU A 113 13.236 4.283 6.114 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.942 5.418 6.445 1.00 0.78 H new ATOM 1533 N ALA A 114 10.354 1.168 3.773 1.00 0.37 N ATOM 1534 CA ALA A 114 9.315 0.392 3.117 1.00 0.39 C ATOM 1535 C ALA A 114 9.426 -1.069 3.525 1.00 0.36 C ATOM 1536 O ALA A 114 8.443 -1.688 3.921 1.00 0.38 O ATOM 1537 CB ALA A 114 9.411 0.534 1.605 1.00 0.48 C ATOM 0 H ALA A 114 11.020 1.609 3.138 1.00 0.37 H new ATOM 0 HA ALA A 114 8.343 0.773 3.430 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.624 -0.055 1.134 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.294 1.582 1.330 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.384 0.176 1.267 1.00 0.48 H new ATOM 1543 N LYS A 115 10.646 -1.595 3.456 1.00 0.38 N ATOM 1544 CA LYS A 115 10.927 -2.977 3.838 1.00 0.45 C ATOM 1545 C LYS A 115 10.500 -3.226 5.285 1.00 0.39 C ATOM 1546 O LYS A 115 9.900 -4.256 5.601 1.00 0.44 O ATOM 1547 CB LYS A 115 12.421 -3.263 3.665 1.00 0.57 C ATOM 1548 CG LYS A 115 12.939 -2.922 2.273 1.00 0.75 C ATOM 1549 CD LYS A 115 14.449 -3.078 2.165 1.00 0.77 C ATOM 1550 CE LYS A 115 14.883 -4.525 2.322 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.328 -4.700 2.031 1.00 1.53 N ATOM 0 H LYS A 115 11.465 -1.078 3.135 1.00 0.38 H new ATOM 0 HA LYS A 115 10.359 -3.648 3.194 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.982 -2.692 4.405 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.609 -4.317 3.867 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.456 -3.568 1.540 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.663 -1.897 2.026 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.784 -2.702 1.199 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.932 -2.469 2.929 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.673 -4.859 3.338 1.00 1.22 H new ATOM 0 HE3 LYS A 115 14.298 -5.155 1.652 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.710 -5.467 2.620 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.453 -4.940 1.027 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.834 -3.816 2.242 1.00 1.53 H new ATOM 1565 N ARG A 116 10.811 -2.256 6.140 1.00 0.36 N ATOM 1566 CA ARG A 116 10.409 -2.266 7.543 1.00 0.39 C ATOM 1567 C ARG A 116 8.910 -2.520 7.695 1.00 0.35 C ATOM 1568 O ARG A 116 8.496 -3.467 8.369 1.00 0.42 O ATOM 1569 CB ARG A 116 10.784 -0.921 8.177 1.00 0.50 C ATOM 1570 CG ARG A 116 10.120 -0.639 9.514 1.00 1.14 C ATOM 1571 CD ARG A 116 10.345 0.804 9.937 1.00 1.65 C ATOM 1572 NE ARG A 116 9.609 1.144 11.152 1.00 2.40 N ATOM 1573 CZ ARG A 116 9.463 2.387 11.615 1.00 3.29 C ATOM 1574 NH1 ARG A 116 9.986 3.420 10.965 1.00 3.61 N ATOM 1575 NH2 ARG A 116 8.779 2.599 12.732 1.00 4.21 N ATOM 0 H ARG A 116 11.354 -1.434 5.876 1.00 0.36 H new ATOM 0 HA ARG A 116 10.931 -3.078 8.050 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.865 -0.887 8.310 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.523 -0.123 7.482 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.051 -0.839 9.443 1.00 1.14 H new ATOM 0 HG3 ARG A 116 10.521 -1.311 10.273 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.410 0.971 10.100 1.00 1.65 H new ATOM 0 HD3 ARG A 116 10.038 1.469 9.130 1.00 1.65 H new ATOM 0 HE ARG A 116 9.180 0.384 11.680 1.00 2.40 H new ATOM 0 HH11 ARG A 116 10.507 3.268 10.101 1.00 3.61 H new ATOM 0 HH12 ARG A 116 9.867 4.365 11.330 1.00 3.61 H new ATOM 0 HH21 ARG A 116 8.366 1.813 13.234 1.00 4.21 H new ATOM 0 HH22 ARG A 116 8.666 3.548 13.088 1.00 4.21 H new ATOM 1589 N TRP A 117 8.103 -1.682 7.054 1.00 0.31 N ATOM 1590 CA TRP A 117 6.655 -1.773 7.180 1.00 0.32 C ATOM 1591 C TRP A 117 6.107 -2.994 6.452 1.00 0.30 C ATOM 1592 O TRP A 117 5.145 -3.608 6.904 1.00 0.36 O ATOM 1593 CB TRP A 117 5.986 -0.504 6.652 1.00 0.36 C ATOM 1594 CG TRP A 117 6.320 0.719 7.450 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.075 1.779 7.048 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.914 1.002 8.793 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.161 2.706 8.055 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.457 2.253 9.138 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.142 0.320 9.737 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.252 2.837 10.385 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.940 0.900 10.975 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.492 2.148 11.289 1.00 0.99 C ATOM 0 H TRP A 117 8.428 -0.933 6.443 1.00 0.31 H new ATOM 0 HA TRP A 117 6.425 -1.879 8.240 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.287 -0.347 5.616 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.905 -0.645 6.652 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.539 1.875 6.077 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.668 3.590 8.005 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.711 -0.642 9.504 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.678 3.799 10.629 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.346 0.382 11.713 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.314 2.575 12.265 1.00 0.99 H new ATOM 1613 N ILE A 118 6.727 -3.344 5.333 1.00 0.29 N ATOM 1614 CA ILE A 118 6.296 -4.490 4.542 1.00 0.32 C ATOM 1615 C ILE A 118 6.320 -5.777 5.365 1.00 0.36 C ATOM 1616 O ILE A 118 5.335 -6.517 5.396 1.00 0.40 O ATOM 1617 CB ILE A 118 7.161 -4.650 3.271 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.803 -3.558 2.260 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.983 -6.030 2.652 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.683 -3.548 1.033 1.00 0.57 C ATOM 0 H ILE A 118 7.533 -2.849 4.951 1.00 0.29 H new ATOM 0 HA ILE A 118 5.267 -4.301 4.236 1.00 0.32 H new ATOM 0 HB ILE A 118 8.209 -4.547 3.553 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.766 -3.689 1.950 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.869 -2.587 2.750 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.604 -6.112 1.760 1.00 0.51 H new ATOM 0 HG22 ILE A 118 7.280 -6.793 3.372 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.937 -6.175 2.380 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.367 -2.747 0.365 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.719 -3.385 1.330 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.599 -4.505 0.517 1.00 0.57 H new ATOM 1632 N LYS A 119 7.428 -6.031 6.050 1.00 0.41 N ATOM 1633 CA LYS A 119 7.548 -7.237 6.860 1.00 0.53 C ATOM 1634 C LYS A 119 6.557 -7.212 8.022 1.00 0.55 C ATOM 1635 O LYS A 119 5.933 -8.226 8.337 1.00 0.67 O ATOM 1636 CB LYS A 119 8.974 -7.403 7.385 1.00 0.63 C ATOM 1637 CG LYS A 119 9.156 -8.638 8.255 1.00 1.09 C ATOM 1638 CD LYS A 119 10.591 -8.790 8.728 1.00 1.34 C ATOM 1639 CE LYS A 119 10.746 -9.982 9.658 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.031 -9.784 10.950 1.00 2.66 N ATOM 0 H LYS A 119 8.249 -5.425 6.062 1.00 0.41 H new ATOM 0 HA LYS A 119 7.314 -8.090 6.223 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.661 -7.458 6.540 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.247 -6.518 7.960 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.494 -8.575 9.118 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.863 -9.525 7.693 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.248 -8.911 7.867 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.904 -7.882 9.243 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.364 -10.876 9.166 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.805 -10.153 9.853 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 10.313 -10.528 11.620 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.276 -8.853 11.343 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 9.005 -9.833 10.790 1.00 2.66 H new ATOM 1654 N GLU A 120 6.395 -6.046 8.639 1.00 0.51 N ATOM 1655 CA GLU A 120 5.477 -5.906 9.763 1.00 0.63 C ATOM 1656 C GLU A 120 4.028 -6.061 9.312 1.00 0.60 C ATOM 1657 O GLU A 120 3.175 -6.508 10.075 1.00 0.79 O ATOM 1658 CB GLU A 120 5.672 -4.558 10.461 1.00 0.71 C ATOM 1659 CG GLU A 120 7.000 -4.441 11.190 1.00 1.43 C ATOM 1660 CD GLU A 120 7.095 -3.192 12.043 1.00 1.83 C ATOM 1661 OE1 GLU A 120 6.100 -2.852 12.719 1.00 2.48 O ATOM 1662 OE2 GLU A 120 8.172 -2.562 12.071 1.00 2.33 O ATOM 0 H GLU A 120 6.885 -5.189 8.381 1.00 0.51 H new ATOM 0 HA GLU A 120 5.701 -6.701 10.474 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.601 -3.761 9.721 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.861 -4.405 11.173 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.141 -5.318 11.822 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.810 -4.440 10.461 1.00 1.43 H new ATOM 1669 N PHE A 121 3.757 -5.679 8.074 1.00 0.44 N ATOM 1670 CA PHE A 121 2.428 -5.825 7.497 1.00 0.43 C ATOM 1671 C PHE A 121 2.173 -7.283 7.126 1.00 0.46 C ATOM 1672 O PHE A 121 1.045 -7.774 7.217 1.00 0.54 O ATOM 1673 CB PHE A 121 2.303 -4.924 6.266 1.00 0.38 C ATOM 1674 CG PHE A 121 0.948 -4.941 5.615 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.781 -5.484 4.351 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.153 -4.405 6.262 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.459 -5.492 3.743 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.397 -4.412 5.659 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.549 -4.955 4.399 1.00 0.67 C ATOM 0 H PHE A 121 4.444 -5.263 7.445 1.00 0.44 H new ATOM 0 HA PHE A 121 1.680 -5.525 8.231 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.540 -3.900 6.555 1.00 0.38 H new ATOM 0 HB3 PHE A 121 3.049 -5.228 5.532 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.631 -5.906 3.835 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.039 -3.977 7.247 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.576 -5.917 2.757 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.249 -3.993 6.173 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.520 -4.960 3.926 1.00 0.67 H new ATOM 1689 N SER A 122 3.236 -7.968 6.719 1.00 0.44 N ATOM 1690 CA SER A 122 3.158 -9.381 6.384 1.00 0.50 C ATOM 1691 C SER A 122 2.893 -10.207 7.639 1.00 0.58 C ATOM 1692 O SER A 122 2.070 -11.122 7.632 1.00 0.80 O ATOM 1693 CB SER A 122 4.458 -9.838 5.718 1.00 0.57 C ATOM 1694 OG SER A 122 4.766 -9.032 4.594 1.00 1.31 O ATOM 0 H SER A 122 4.166 -7.563 6.613 1.00 0.44 H new ATOM 0 HA SER A 122 2.334 -9.530 5.686 1.00 0.50 H new ATOM 0 HB2 SER A 122 5.275 -9.791 6.438 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.365 -10.879 5.408 1.00 0.57 H new ATOM 0 HG SER A 122 5.001 -8.129 4.894 1.00 1.31 H new ATOM 1700 N GLU A 123 3.591 -9.872 8.714 1.00 0.63 N ATOM 1701 CA GLU A 123 3.399 -10.542 9.989 1.00 0.81 C ATOM 1702 C GLU A 123 2.475 -9.716 10.879 1.00 0.92 C ATOM 1703 O GLU A 123 2.919 -9.061 11.827 1.00 1.44 O ATOM 1704 CB GLU A 123 4.745 -10.776 10.677 1.00 1.25 C ATOM 1705 CG GLU A 123 5.678 -11.688 9.891 1.00 1.57 C ATOM 1706 CD GLU A 123 5.098 -13.071 9.677 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.196 -13.912 10.598 1.00 2.53 O ATOM 1708 OE2 GLU A 123 4.540 -13.327 8.585 1.00 2.37 O ATOM 0 H GLU A 123 4.298 -9.137 8.727 1.00 0.63 H new ATOM 0 HA GLU A 123 2.935 -11.512 9.811 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.236 -9.815 10.834 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.570 -11.209 11.662 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.893 -11.235 8.923 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.627 -11.774 10.420 1.00 1.57 H new