USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Single : A 21 TYR OH : rot -7:sc= 0.545 USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.93 (180deg=1.68) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.09) USER MOD Single : A 29 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -74:sc= 1.23 USER MOD Single : A 35 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.791) USER MOD Single : A 40 MET CE :methyl 139:sc= -0.075 (180deg=-0.959) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -36:sc= -0.385 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= 0.761 (180deg=-1.09!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 2.38 (180deg=2.07) USER MOD Single : A 50 SER OG : rot 67:sc= 1.3 USER MOD Single : A 51 TYR OH : rot -140:sc= -0.216 USER MOD Single : A 52 CYS SG : rot 72:sc= 1.3 USER MOD Single : A 53 GLN : amide:sc= -0.696 K(o=-0.7,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.19) USER MOD Single : A 59 MET CE :methyl -111:sc= -0.0234 (180deg=-1.3) USER MOD Single : A 60 ASN : amide:sc= 1.06 K(o=1.1,f=-0.21) USER MOD Single : A 61 SER OG : rot -100:sc= 1.03 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= 0.121 K(o=0.12,f=-3.7!) USER MOD Single : A 75 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-5.1!) USER MOD Single : A 76 THR OG1 : rot 31:sc= 0.699 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -166:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0.273 X(o=0.27,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : B 357 ASN : amide:sc= 1.15 K(o=1.2,f=-1) USER MOD Single : B 358 ASN : amide:sc= -0.0819 K(o=-0.082,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.501 6.339 9.562 1.00 10.00 N ATOM 2 CA TYR A 21 2.751 5.452 8.405 1.00 10.00 C ATOM 3 C TYR A 21 1.452 4.814 7.937 1.00 10.00 C ATOM 4 O TYR A 21 0.608 4.439 8.750 1.00 10.00 O ATOM 5 CB TYR A 21 3.757 4.360 8.781 1.00 10.00 C ATOM 6 CG TYR A 21 5.155 4.606 8.259 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.675 3.837 7.229 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.957 5.603 8.802 1.00 10.00 C ATOM 9 CE1 TYR A 21 6.952 4.051 6.750 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.234 5.826 8.327 1.00 10.00 C ATOM 11 CZ TYR A 21 7.729 5.046 7.303 1.00 10.00 C ATOM 12 OH TYR A 21 9.003 5.261 6.831 1.00 10.00 O ATOM 0 HA TYR A 21 3.164 6.052 7.594 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.796 4.274 9.867 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.400 3.404 8.398 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.070 3.056 6.793 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.575 6.213 9.608 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.340 3.442 5.947 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.843 6.608 8.756 1.00 10.00 H new ATOM 0 HH TYR A 21 9.235 4.562 6.185 1.00 10.00 H new ATOM 22 N ILE A 22 1.295 4.703 6.629 1.00 10.00 N ATOM 23 CA ILE A 22 0.108 4.106 6.037 1.00 10.00 C ATOM 24 C ILE A 22 0.418 2.676 5.615 1.00 10.00 C ATOM 25 O ILE A 22 1.266 2.448 4.759 1.00 10.00 O ATOM 26 CB ILE A 22 -0.373 4.902 4.802 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.574 6.384 5.147 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.658 4.300 4.248 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.742 6.647 6.076 1.00 10.00 C ATOM 0 H ILE A 22 1.984 5.023 5.948 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.684 4.121 6.785 1.00 10.00 H new ATOM 0 HB ILE A 22 0.398 4.837 4.035 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.337 6.766 5.608 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.724 6.944 4.224 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.983 4.872 3.379 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.478 3.266 3.955 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.434 4.331 5.013 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.818 7.717 6.272 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.663 6.297 5.610 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.586 6.116 7.015 1.00 10.00 H new ATOM 41 N LYS A 23 -0.255 1.716 6.216 1.00 10.00 N ATOM 42 CA LYS A 23 -0.020 0.321 5.888 1.00 10.00 C ATOM 43 C LYS A 23 -1.097 -0.201 4.943 1.00 10.00 C ATOM 44 O LYS A 23 -2.239 -0.447 5.349 1.00 10.00 O ATOM 45 CB LYS A 23 0.034 -0.514 7.165 1.00 10.00 C ATOM 46 CG LYS A 23 0.284 -1.992 6.928 1.00 10.00 C ATOM 47 CD LYS A 23 -0.126 -2.810 8.139 1.00 10.00 C ATOM 48 CE LYS A 23 -1.564 -3.300 8.035 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.493 -2.246 7.547 1.00 10.00 N ATOM 0 H LYS A 23 -0.966 1.873 6.931 1.00 10.00 H new ATOM 0 HA LYS A 23 0.940 0.239 5.378 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.821 -0.122 7.810 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.907 -0.397 7.703 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.275 -2.324 6.053 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.340 -2.157 6.713 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.542 -3.665 8.242 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.013 -2.207 9.040 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.605 -4.156 7.361 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.897 -3.648 9.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.448 -2.645 7.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.516 -1.461 8.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.165 -1.894 6.625 1.00 10.00 H new ATOM 63 N LEU A 24 -0.721 -0.364 3.685 1.00 10.00 N ATOM 64 CA LEU A 24 -1.635 -0.851 2.661 1.00 10.00 C ATOM 65 C LEU A 24 -1.601 -2.373 2.606 1.00 10.00 C ATOM 66 O LEU A 24 -0.581 -2.991 2.920 1.00 10.00 O ATOM 67 CB LEU A 24 -1.254 -0.276 1.292 1.00 10.00 C ATOM 68 CG LEU A 24 -1.097 1.246 1.239 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.504 1.672 -0.094 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.436 1.930 1.466 1.00 10.00 C ATOM 0 H LEU A 24 0.220 -0.164 3.345 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.644 -0.526 2.915 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.317 -0.732 0.973 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -2.014 -0.571 0.569 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.416 1.549 2.035 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.399 2.757 -0.115 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.475 1.210 -0.221 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.162 1.355 -0.903 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.304 3.011 1.425 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.139 1.620 0.692 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.827 1.649 2.444 1.00 10.00 H new ATOM 82 N LYS A 25 -2.714 -2.973 2.213 1.00 10.00 N ATOM 83 CA LYS A 25 -2.804 -4.419 2.110 1.00 10.00 C ATOM 84 C LYS A 25 -2.890 -4.844 0.651 1.00 10.00 C ATOM 85 O LYS A 25 -3.810 -4.452 -0.072 1.00 10.00 O ATOM 86 CB LYS A 25 -4.018 -4.941 2.878 1.00 10.00 C ATOM 87 CG LYS A 25 -3.840 -4.917 4.388 1.00 10.00 C ATOM 88 CD LYS A 25 -4.920 -5.724 5.091 1.00 10.00 C ATOM 89 CE LYS A 25 -4.765 -7.218 4.837 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.662 -8.028 5.703 1.00 10.00 N ATOM 0 H LYS A 25 -3.569 -2.478 1.960 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.903 -4.847 2.550 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.890 -4.342 2.614 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.226 -5.963 2.561 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -2.860 -5.318 4.646 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.866 -3.886 4.742 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -4.878 -5.531 6.163 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.901 -5.396 4.746 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.982 -7.432 3.790 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.730 -7.510 5.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.839 -8.949 5.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -5.211 -8.175 6.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.564 -7.527 5.833 1.00 10.00 H new ATOM 104 N VAL A 26 -1.916 -5.629 0.224 1.00 10.00 N ATOM 105 CA VAL A 26 -1.866 -6.122 -1.140 1.00 10.00 C ATOM 106 C VAL A 26 -2.335 -7.567 -1.173 1.00 10.00 C ATOM 107 O VAL A 26 -1.892 -8.385 -0.365 1.00 10.00 O ATOM 108 CB VAL A 26 -0.440 -6.041 -1.728 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.485 -6.100 -3.244 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.274 -4.780 -1.263 1.00 10.00 C ATOM 0 H VAL A 26 -1.142 -5.941 0.810 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.519 -5.493 -1.745 1.00 10.00 H new ATOM 0 HB VAL A 26 0.124 -6.900 -1.364 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.529 -6.042 -3.641 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.944 -7.037 -3.558 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -1.072 -5.263 -3.623 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.275 -4.750 -1.692 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.287 -3.904 -1.588 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.346 -4.782 -0.175 1.00 10.00 H new ATOM 120 N ILE A 27 -3.239 -7.874 -2.089 1.00 10.00 N ATOM 121 CA ILE A 27 -3.769 -9.223 -2.210 1.00 10.00 C ATOM 122 C ILE A 27 -3.110 -9.964 -3.366 1.00 10.00 C ATOM 123 O ILE A 27 -3.209 -9.545 -4.521 1.00 10.00 O ATOM 124 CB ILE A 27 -5.302 -9.216 -2.416 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.999 -8.474 -1.270 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.835 -10.638 -2.538 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.761 -9.090 0.094 1.00 10.00 C ATOM 0 H ILE A 27 -3.621 -7.208 -2.760 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.545 -9.738 -1.276 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.518 -8.689 -3.345 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.654 -7.440 -1.256 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.071 -8.449 -1.465 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.915 -10.611 -2.682 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.367 -11.130 -3.391 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.604 -11.192 -1.628 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.286 -8.509 0.852 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.132 -10.115 0.100 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.693 -9.090 0.312 1.00 10.00 H new ATOM 139 N GLY A 28 -2.427 -11.054 -3.044 1.00 10.00 N ATOM 140 CA GLY A 28 -1.768 -11.848 -4.060 1.00 10.00 C ATOM 141 C GLY A 28 -2.676 -12.926 -4.622 1.00 10.00 C ATOM 142 O GLY A 28 -3.614 -13.367 -3.952 1.00 10.00 O ATOM 0 H GLY A 28 -2.318 -11.403 -2.092 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.436 -11.197 -4.869 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.877 -12.310 -3.636 1.00 10.00 H new ATOM 146 N GLN A 29 -2.389 -13.367 -5.844 1.00 10.00 N ATOM 147 CA GLN A 29 -3.189 -14.397 -6.506 1.00 10.00 C ATOM 148 C GLN A 29 -3.076 -15.734 -5.775 1.00 10.00 C ATOM 149 O GLN A 29 -3.940 -16.603 -5.904 1.00 10.00 O ATOM 150 CB GLN A 29 -2.747 -14.559 -7.963 1.00 10.00 C ATOM 151 CG GLN A 29 -3.714 -15.377 -8.809 1.00 10.00 C ATOM 152 CD GLN A 29 -4.903 -14.567 -9.282 1.00 10.00 C ATOM 153 OE1 GLN A 29 -4.871 -13.972 -10.359 1.00 10.00 O ATOM 154 NE2 GLN A 29 -5.961 -14.542 -8.487 1.00 10.00 N ATOM 0 H GLN A 29 -1.604 -13.026 -6.399 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.232 -14.080 -6.482 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -2.632 -13.572 -8.410 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.767 -15.035 -7.985 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -3.185 -15.778 -9.674 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -4.067 -16.229 -8.229 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -5.946 -15.049 -7.602 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.791 -14.015 -8.759 1.00 10.00 H new ATOM 163 N ASP A 30 -2.018 -15.884 -4.990 1.00 10.00 N ATOM 164 CA ASP A 30 -1.785 -17.110 -4.235 1.00 10.00 C ATOM 165 C ASP A 30 -2.441 -17.031 -2.857 1.00 10.00 C ATOM 166 O ASP A 30 -2.177 -17.863 -1.985 1.00 10.00 O ATOM 167 CB ASP A 30 -0.283 -17.369 -4.089 1.00 10.00 C ATOM 168 CG ASP A 30 0.411 -16.336 -3.226 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.066 -15.142 -3.332 1.00 10.00 O ATOM 170 OD2 ASP A 30 1.311 -16.714 -2.444 1.00 10.00 O ATOM 0 H ASP A 30 -1.303 -15.168 -4.858 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.234 -17.938 -4.784 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.130 -18.358 -3.657 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.177 -17.378 -5.077 1.00 10.00 H new ATOM 175 N SER A 31 -3.300 -16.025 -2.686 1.00 10.00 N ATOM 176 CA SER A 31 -4.034 -15.798 -1.439 1.00 10.00 C ATOM 177 C SER A 31 -3.112 -15.298 -0.327 1.00 10.00 C ATOM 178 O SER A 31 -3.250 -15.689 0.834 1.00 10.00 O ATOM 179 CB SER A 31 -4.766 -17.071 -0.993 1.00 10.00 C ATOM 180 OG SER A 31 -5.560 -17.598 -2.046 1.00 10.00 O ATOM 0 H SER A 31 -3.508 -15.340 -3.413 1.00 10.00 H new ATOM 0 HA SER A 31 -4.774 -15.022 -1.636 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.040 -17.818 -0.671 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.398 -16.849 -0.133 1.00 10.00 H new ATOM 0 HG SER A 31 -6.015 -18.410 -1.738 1.00 10.00 H new ATOM 186 N SER A 32 -2.181 -14.426 -0.682 1.00 10.00 N ATOM 187 CA SER A 32 -1.254 -13.869 0.290 1.00 10.00 C ATOM 188 C SER A 32 -1.667 -12.448 0.659 1.00 10.00 C ATOM 189 O SER A 32 -2.111 -11.683 -0.202 1.00 10.00 O ATOM 190 CB SER A 32 0.169 -13.876 -0.270 1.00 10.00 C ATOM 191 OG SER A 32 0.213 -13.297 -1.563 1.00 10.00 O ATOM 0 H SER A 32 -2.048 -14.089 -1.635 1.00 10.00 H new ATOM 0 HA SER A 32 -1.279 -14.486 1.188 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.829 -13.326 0.400 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.540 -14.900 -0.314 1.00 10.00 H new ATOM 0 HG SER A 32 -0.168 -13.922 -2.215 1.00 10.00 H new ATOM 197 N GLU A 33 -1.541 -12.103 1.935 1.00 10.00 N ATOM 198 CA GLU A 33 -1.890 -10.770 2.396 1.00 10.00 C ATOM 199 C GLU A 33 -0.623 -9.986 2.734 1.00 10.00 C ATOM 200 O GLU A 33 -0.035 -10.156 3.804 1.00 10.00 O ATOM 201 CB GLU A 33 -2.827 -10.840 3.609 1.00 10.00 C ATOM 202 CG GLU A 33 -4.172 -11.484 3.302 1.00 10.00 C ATOM 203 CD GLU A 33 -5.057 -11.612 4.526 1.00 10.00 C ATOM 204 OE1 GLU A 33 -5.610 -10.585 4.975 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.210 -12.741 5.039 1.00 10.00 O ATOM 0 H GLU A 33 -1.200 -12.728 2.665 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.419 -10.252 1.596 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.337 -11.402 4.404 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.994 -9.832 3.988 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.689 -10.892 2.546 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.007 -12.473 2.874 1.00 10.00 H new ATOM 212 N ILE A 34 -0.197 -9.137 1.810 1.00 10.00 N ATOM 213 CA ILE A 34 1.016 -8.353 2.000 1.00 10.00 C ATOM 214 C ILE A 34 0.713 -7.031 2.693 1.00 10.00 C ATOM 215 O ILE A 34 -0.236 -6.335 2.335 1.00 10.00 O ATOM 216 CB ILE A 34 1.728 -8.063 0.658 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.599 -9.255 -0.305 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.194 -7.730 0.898 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.268 -10.524 0.187 1.00 10.00 C ATOM 0 H ILE A 34 -0.672 -8.973 0.922 1.00 10.00 H new ATOM 0 HA ILE A 34 1.676 -8.951 2.628 1.00 10.00 H new ATOM 0 HB ILE A 34 1.244 -7.203 0.196 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.542 -9.457 -0.476 1.00 10.00 H new ATOM 0 HG13 ILE A 34 2.030 -8.979 -1.267 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.682 -7.528 -0.055 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.267 -6.850 1.537 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.684 -8.573 1.385 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.131 -11.316 -0.549 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.333 -10.342 0.330 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.821 -10.827 1.134 1.00 10.00 H new ATOM 231 N HIS A 35 1.522 -6.696 3.686 1.00 10.00 N ATOM 232 CA HIS A 35 1.358 -5.456 4.425 1.00 10.00 C ATOM 233 C HIS A 35 2.518 -4.521 4.117 1.00 10.00 C ATOM 234 O HIS A 35 3.640 -4.735 4.584 1.00 10.00 O ATOM 235 CB HIS A 35 1.306 -5.721 5.933 1.00 10.00 C ATOM 236 CG HIS A 35 0.143 -6.554 6.378 1.00 10.00 C ATOM 237 ND1 HIS A 35 -1.097 -6.005 6.577 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.095 -7.871 6.679 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.865 -6.990 6.996 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.190 -8.145 7.076 1.00 10.00 N ATOM 0 H HIS A 35 2.304 -7.271 4.000 1.00 10.00 H new ATOM 0 HA HIS A 35 0.418 -4.996 4.120 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.228 -6.218 6.234 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.273 -4.765 6.456 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.913 -8.574 6.619 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.910 -6.880 7.245 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -1.558 -9.049 7.373 1.00 10.00 H new ATOM 248 N PHE A 36 2.256 -3.493 3.327 1.00 10.00 N ATOM 249 CA PHE A 36 3.295 -2.544 2.965 1.00 10.00 C ATOM 250 C PHE A 36 3.131 -1.251 3.748 1.00 10.00 C ATOM 251 O PHE A 36 2.118 -0.561 3.624 1.00 10.00 O ATOM 252 CB PHE A 36 3.265 -2.255 1.461 1.00 10.00 C ATOM 253 CG PHE A 36 4.634 -2.173 0.841 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.694 -1.612 1.534 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.859 -2.659 -0.438 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.953 -1.540 0.969 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.117 -2.588 -1.010 1.00 10.00 C ATOM 258 CZ PHE A 36 7.165 -2.027 -0.305 1.00 10.00 C ATOM 0 H PHE A 36 1.339 -3.295 2.926 1.00 10.00 H new ATOM 0 HA PHE A 36 4.260 -2.986 3.214 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.693 -3.036 0.960 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.740 -1.316 1.289 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.534 -1.225 2.530 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.044 -3.098 -0.994 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.770 -1.103 1.524 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.280 -2.971 -2.007 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.147 -1.970 -0.750 1.00 10.00 H new ATOM 268 N LYS A 37 4.125 -0.930 4.557 1.00 10.00 N ATOM 269 CA LYS A 37 4.090 0.276 5.364 1.00 10.00 C ATOM 270 C LYS A 37 4.696 1.442 4.591 1.00 10.00 C ATOM 271 O LYS A 37 5.917 1.570 4.504 1.00 10.00 O ATOM 272 CB LYS A 37 4.841 0.056 6.678 1.00 10.00 C ATOM 273 CG LYS A 37 4.104 0.584 7.898 1.00 10.00 C ATOM 274 CD LYS A 37 4.795 0.175 9.190 1.00 10.00 C ATOM 275 CE LYS A 37 4.590 -1.303 9.493 1.00 10.00 C ATOM 276 NZ LYS A 37 5.000 -1.648 10.880 1.00 10.00 N ATOM 0 H LYS A 37 4.969 -1.490 4.672 1.00 10.00 H new ATOM 0 HA LYS A 37 3.052 0.515 5.596 1.00 10.00 H new ATOM 0 HB2 LYS A 37 5.023 -1.011 6.808 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.815 0.541 6.615 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.044 1.671 7.845 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.081 0.208 7.897 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.862 0.387 9.115 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.408 0.773 10.015 1.00 10.00 H new ATOM 0 HE2 LYS A 37 3.540 -1.560 9.350 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.164 -1.901 8.786 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 4.844 -2.663 11.046 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 6.008 -1.427 11.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.435 -1.096 11.556 1.00 10.00 H new ATOM 290 N VAL A 38 3.836 2.280 4.029 1.00 10.00 N ATOM 291 CA VAL A 38 4.271 3.433 3.253 1.00 10.00 C ATOM 292 C VAL A 38 4.121 4.716 4.070 1.00 10.00 C ATOM 293 O VAL A 38 3.518 4.711 5.143 1.00 10.00 O ATOM 294 CB VAL A 38 3.472 3.562 1.929 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.315 2.204 1.264 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.109 4.194 2.160 1.00 10.00 C ATOM 0 H VAL A 38 2.823 2.181 4.097 1.00 10.00 H new ATOM 0 HA VAL A 38 5.322 3.282 3.006 1.00 10.00 H new ATOM 0 HB VAL A 38 4.038 4.216 1.266 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.752 2.316 0.337 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.299 1.791 1.043 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.781 1.530 1.934 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.577 4.269 1.212 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.534 3.577 2.851 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.237 5.190 2.584 1.00 10.00 H new ATOM 306 N LYS A 39 4.663 5.815 3.567 1.00 10.00 N ATOM 307 CA LYS A 39 4.570 7.089 4.263 1.00 10.00 C ATOM 308 C LYS A 39 3.875 8.119 3.379 1.00 10.00 C ATOM 309 O LYS A 39 4.065 8.134 2.161 1.00 10.00 O ATOM 310 CB LYS A 39 5.960 7.583 4.676 1.00 10.00 C ATOM 311 CG LYS A 39 5.933 8.695 5.716 1.00 10.00 C ATOM 312 CD LYS A 39 7.324 9.229 5.994 1.00 10.00 C ATOM 313 CE LYS A 39 7.275 10.547 6.749 1.00 10.00 C ATOM 314 NZ LYS A 39 8.592 11.237 6.747 1.00 10.00 N ATOM 0 H LYS A 39 5.170 5.850 2.683 1.00 10.00 H new ATOM 0 HA LYS A 39 3.978 6.949 5.168 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.531 6.743 5.071 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.487 7.939 3.791 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.294 9.506 5.367 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.495 8.319 6.641 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.886 8.497 6.574 1.00 10.00 H new ATOM 0 HD3 LYS A 39 7.856 9.367 5.053 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.525 11.196 6.298 1.00 10.00 H new ATOM 0 HE3 LYS A 39 6.962 10.365 7.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.447 12.263 6.839 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.164 10.895 7.545 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.088 11.036 5.855 1.00 10.00 H new ATOM 328 N MET A 40 3.064 8.968 3.996 1.00 10.00 N ATOM 329 CA MET A 40 2.320 10.001 3.279 1.00 10.00 C ATOM 330 C MET A 40 3.231 11.157 2.859 1.00 10.00 C ATOM 331 O MET A 40 3.160 12.252 3.419 1.00 10.00 O ATOM 332 CB MET A 40 1.168 10.519 4.153 1.00 10.00 C ATOM 333 CG MET A 40 0.234 11.485 3.441 1.00 10.00 C ATOM 334 SD MET A 40 -0.494 10.779 1.951 1.00 10.00 S ATOM 335 CE MET A 40 -1.436 9.421 2.647 1.00 10.00 C ATOM 0 H MET A 40 2.902 8.962 5.003 1.00 10.00 H new ATOM 0 HA MET A 40 1.911 9.556 2.372 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.588 9.669 4.513 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.586 11.014 5.030 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.562 11.783 4.123 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.784 12.389 3.178 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.402 9.354 2.147 1.00 10.00 H new ATOM 0 HE2 MET A 40 -0.889 8.489 2.506 1.00 10.00 H new ATOM 0 HE3 MET A 40 -1.590 9.593 3.712 1.00 10.00 H new ATOM 345 N THR A 41 4.089 10.889 1.878 1.00 10.00 N ATOM 346 CA THR A 41 5.023 11.883 1.350 1.00 10.00 C ATOM 347 C THR A 41 6.005 11.225 0.381 1.00 10.00 C ATOM 348 O THR A 41 6.470 11.853 -0.572 1.00 10.00 O ATOM 349 CB THR A 41 5.809 12.608 2.477 1.00 10.00 C ATOM 350 OG1 THR A 41 6.644 13.639 1.927 1.00 10.00 O ATOM 351 CG2 THR A 41 6.659 11.635 3.280 1.00 10.00 C ATOM 0 H THR A 41 4.157 9.977 1.426 1.00 10.00 H new ATOM 0 HA THR A 41 4.430 12.631 0.824 1.00 10.00 H new ATOM 0 HB THR A 41 5.076 13.057 3.148 1.00 10.00 H new ATOM 0 HG1 THR A 41 7.131 14.086 2.650 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.195 12.177 4.059 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.017 10.883 3.737 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.376 11.147 2.619 1.00 10.00 H new ATOM 359 N THR A 42 6.293 9.953 0.619 1.00 10.00 N ATOM 360 CA THR A 42 7.218 9.203 -0.211 1.00 10.00 C ATOM 361 C THR A 42 6.590 8.848 -1.555 1.00 10.00 C ATOM 362 O THR A 42 5.406 8.502 -1.630 1.00 10.00 O ATOM 363 CB THR A 42 7.652 7.918 0.510 1.00 10.00 C ATOM 364 OG1 THR A 42 7.681 8.156 1.923 1.00 10.00 O ATOM 365 CG2 THR A 42 9.024 7.459 0.038 1.00 10.00 C ATOM 0 H THR A 42 5.893 9.417 1.389 1.00 10.00 H new ATOM 0 HA THR A 42 8.090 9.832 -0.393 1.00 10.00 H new ATOM 0 HB THR A 42 6.934 7.131 0.278 1.00 10.00 H new ATOM 0 HG1 THR A 42 7.992 9.069 2.095 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.304 6.548 0.566 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.993 7.263 -1.034 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.759 8.238 0.243 1.00 10.00 H new ATOM 373 N HIS A 43 7.384 8.955 -2.612 1.00 10.00 N ATOM 374 CA HIS A 43 6.925 8.639 -3.956 1.00 10.00 C ATOM 375 C HIS A 43 6.663 7.146 -4.085 1.00 10.00 C ATOM 376 O HIS A 43 7.456 6.323 -3.618 1.00 10.00 O ATOM 377 CB HIS A 43 7.960 9.082 -4.994 1.00 10.00 C ATOM 378 CG HIS A 43 8.063 10.570 -5.138 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.006 11.297 -4.454 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.315 11.412 -5.888 1.00 10.00 C ATOM 381 CE1 HIS A 43 8.808 12.557 -4.797 1.00 10.00 C ATOM 382 NE2 HIS A 43 7.791 12.677 -5.664 1.00 10.00 N ATOM 0 H HIS A 43 8.356 9.261 -2.562 1.00 10.00 H new ATOM 0 HA HIS A 43 5.995 9.178 -4.139 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.936 8.683 -4.716 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.702 8.648 -5.960 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.498 11.139 -6.539 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.392 13.387 -4.426 1.00 10.00 H new ATOM 0 HE2 HIS A 43 7.441 13.542 -6.076 1.00 10.00 H new ATOM 390 N LEU A 44 5.561 6.795 -4.740 1.00 10.00 N ATOM 391 CA LEU A 44 5.189 5.396 -4.920 1.00 10.00 C ATOM 392 C LEU A 44 6.162 4.678 -5.849 1.00 10.00 C ATOM 393 O LEU A 44 6.116 3.455 -5.980 1.00 10.00 O ATOM 394 CB LEU A 44 3.753 5.278 -5.437 1.00 10.00 C ATOM 395 CG LEU A 44 2.671 5.562 -4.389 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.295 5.581 -5.029 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.723 4.535 -3.269 1.00 10.00 C ATOM 0 H LEU A 44 4.909 7.461 -5.155 1.00 10.00 H new ATOM 0 HA LEU A 44 5.242 4.910 -3.946 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.623 5.969 -6.270 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.604 4.272 -5.830 1.00 10.00 H new ATOM 0 HG LEU A 44 2.864 6.546 -3.961 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.542 5.784 -4.267 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.259 6.359 -5.791 1.00 10.00 H new ATOM 0 HD13 LEU A 44 1.094 4.613 -5.489 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.947 4.756 -2.537 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.561 3.539 -3.681 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.699 4.573 -2.786 1.00 10.00 H new ATOM 409 N LYS A 45 7.045 5.445 -6.482 1.00 10.00 N ATOM 410 CA LYS A 45 8.058 4.889 -7.369 1.00 10.00 C ATOM 411 C LYS A 45 8.922 3.898 -6.596 1.00 10.00 C ATOM 412 O LYS A 45 9.159 2.773 -7.040 1.00 10.00 O ATOM 413 CB LYS A 45 8.932 6.015 -7.933 1.00 10.00 C ATOM 414 CG LYS A 45 10.102 5.533 -8.778 1.00 10.00 C ATOM 415 CD LYS A 45 9.730 5.430 -10.247 1.00 10.00 C ATOM 416 CE LYS A 45 10.912 4.973 -11.088 1.00 10.00 C ATOM 417 NZ LYS A 45 10.575 4.916 -12.532 1.00 10.00 N ATOM 0 H LYS A 45 7.078 6.461 -6.395 1.00 10.00 H new ATOM 0 HA LYS A 45 7.570 4.373 -8.196 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.309 6.675 -8.537 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.317 6.610 -7.105 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.941 6.219 -8.662 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.434 4.559 -8.418 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.904 4.729 -10.366 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.380 6.399 -10.604 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.750 5.654 -10.937 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.237 3.988 -10.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.412 4.617 -13.072 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.804 4.234 -12.682 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.273 5.857 -12.855 1.00 10.00 H new ATOM 431 N LYS A 46 9.353 4.324 -5.415 1.00 10.00 N ATOM 432 CA LYS A 46 10.186 3.505 -4.548 1.00 10.00 C ATOM 433 C LYS A 46 9.414 2.278 -4.066 1.00 10.00 C ATOM 434 O LYS A 46 9.977 1.197 -3.908 1.00 10.00 O ATOM 435 CB LYS A 46 10.658 4.338 -3.348 1.00 10.00 C ATOM 436 CG LYS A 46 11.413 3.539 -2.296 1.00 10.00 C ATOM 437 CD LYS A 46 12.904 3.495 -2.581 1.00 10.00 C ATOM 438 CE LYS A 46 13.594 4.794 -2.192 1.00 10.00 C ATOM 439 NZ LYS A 46 13.587 5.014 -0.722 1.00 10.00 N ATOM 0 H LYS A 46 9.135 5.244 -5.034 1.00 10.00 H new ATOM 0 HA LYS A 46 11.054 3.164 -5.113 1.00 10.00 H new ATOM 0 HB2 LYS A 46 11.300 5.142 -3.708 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.792 4.806 -2.881 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.244 3.981 -1.314 1.00 10.00 H new ATOM 0 HG3 LYS A 46 11.020 2.523 -2.260 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.354 2.667 -2.034 1.00 10.00 H new ATOM 0 HD3 LYS A 46 13.065 3.301 -3.641 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.623 4.778 -2.551 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.097 5.629 -2.685 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 13.423 6.021 -0.523 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.830 4.447 -0.290 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 14.504 4.727 -0.324 1.00 10.00 H new ATOM 453 N LEU A 47 8.118 2.457 -3.857 1.00 10.00 N ATOM 454 CA LEU A 47 7.256 1.383 -3.382 1.00 10.00 C ATOM 455 C LEU A 47 7.085 0.303 -4.445 1.00 10.00 C ATOM 456 O LEU A 47 7.192 -0.890 -4.157 1.00 10.00 O ATOM 457 CB LEU A 47 5.882 1.937 -2.981 1.00 10.00 C ATOM 458 CG LEU A 47 5.783 2.550 -1.576 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.199 1.541 -0.520 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.619 3.819 -1.461 1.00 10.00 C ATOM 0 H LEU A 47 7.637 3.343 -4.010 1.00 10.00 H new ATOM 0 HA LEU A 47 7.732 0.936 -2.509 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.593 2.697 -3.708 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.152 1.131 -3.056 1.00 10.00 H new ATOM 0 HG LEU A 47 4.741 2.821 -1.407 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.122 1.995 0.468 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.545 0.670 -0.571 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.229 1.232 -0.698 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.526 4.226 -0.454 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.664 3.586 -1.663 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.266 4.554 -2.184 1.00 10.00 H new ATOM 472 N LYS A 48 6.838 0.733 -5.677 1.00 10.00 N ATOM 473 CA LYS A 48 6.632 -0.185 -6.790 1.00 10.00 C ATOM 474 C LYS A 48 7.864 -1.051 -7.047 1.00 10.00 C ATOM 475 O LYS A 48 7.749 -2.268 -7.217 1.00 10.00 O ATOM 476 CB LYS A 48 6.260 0.592 -8.059 1.00 10.00 C ATOM 477 CG LYS A 48 4.905 1.282 -7.976 1.00 10.00 C ATOM 478 CD LYS A 48 4.579 2.034 -9.256 1.00 10.00 C ATOM 479 CE LYS A 48 4.231 1.082 -10.390 1.00 10.00 C ATOM 480 NZ LYS A 48 3.930 1.805 -11.651 1.00 10.00 N ATOM 0 H LYS A 48 6.775 1.719 -5.931 1.00 10.00 H new ATOM 0 HA LYS A 48 5.810 -0.849 -6.520 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.028 1.340 -8.255 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.258 -0.093 -8.907 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.130 0.540 -7.782 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.900 1.975 -7.135 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.743 2.711 -9.079 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.431 2.649 -9.545 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.062 0.396 -10.555 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.370 0.477 -10.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.031 1.155 -12.457 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 2.956 2.168 -11.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.592 2.600 -11.762 1.00 10.00 H new ATOM 494 N GLU A 49 9.041 -0.436 -7.060 1.00 10.00 N ATOM 495 CA GLU A 49 10.271 -1.177 -7.311 1.00 10.00 C ATOM 496 C GLU A 49 10.617 -2.094 -6.140 1.00 10.00 C ATOM 497 O GLU A 49 11.028 -3.235 -6.348 1.00 10.00 O ATOM 498 CB GLU A 49 11.438 -0.230 -7.619 1.00 10.00 C ATOM 499 CG GLU A 49 11.722 0.792 -6.530 1.00 10.00 C ATOM 500 CD GLU A 49 12.991 1.575 -6.788 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.833 1.671 -5.870 1.00 10.00 O ATOM 502 OE2 GLU A 49 13.163 2.081 -7.915 1.00 10.00 O ATOM 0 H GLU A 49 9.169 0.563 -6.901 1.00 10.00 H new ATOM 0 HA GLU A 49 10.100 -1.801 -8.188 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.337 -0.823 -7.787 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.226 0.298 -8.549 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.882 1.482 -6.456 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.802 0.282 -5.570 1.00 10.00 H new ATOM 509 N SER A 50 10.420 -1.610 -4.916 1.00 10.00 N ATOM 510 CA SER A 50 10.722 -2.404 -3.730 1.00 10.00 C ATOM 511 C SER A 50 9.863 -3.663 -3.689 1.00 10.00 C ATOM 512 O SER A 50 10.315 -4.722 -3.248 1.00 10.00 O ATOM 513 CB SER A 50 10.516 -1.576 -2.463 1.00 10.00 C ATOM 514 OG SER A 50 11.395 -0.463 -2.435 1.00 10.00 O ATOM 0 H SER A 50 10.055 -0.678 -4.721 1.00 10.00 H new ATOM 0 HA SER A 50 11.768 -2.705 -3.780 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.484 -1.230 -2.414 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.685 -2.200 -1.585 1.00 10.00 H new ATOM 0 HG SER A 50 11.158 0.159 -3.154 1.00 10.00 H new ATOM 520 N TYR A 51 8.628 -3.549 -4.166 1.00 10.00 N ATOM 521 CA TYR A 51 7.724 -4.689 -4.197 1.00 10.00 C ATOM 522 C TYR A 51 8.257 -5.741 -5.165 1.00 10.00 C ATOM 523 O TYR A 51 8.220 -6.937 -4.879 1.00 10.00 O ATOM 524 CB TYR A 51 6.318 -4.255 -4.618 1.00 10.00 C ATOM 525 CG TYR A 51 5.247 -5.286 -4.323 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.614 -5.322 -3.088 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.871 -6.223 -5.280 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.638 -6.260 -2.813 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.893 -7.162 -5.011 1.00 10.00 C ATOM 530 CZ TYR A 51 3.283 -7.177 -3.775 1.00 10.00 C ATOM 531 OH TYR A 51 2.309 -8.110 -3.503 1.00 10.00 O ATOM 0 H TYR A 51 8.233 -2.683 -4.534 1.00 10.00 H new ATOM 0 HA TYR A 51 7.665 -5.115 -3.195 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.066 -3.326 -4.107 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.319 -4.040 -5.687 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.889 -4.604 -2.329 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.350 -6.217 -6.248 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.156 -6.273 -1.847 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.608 -7.880 -5.765 1.00 10.00 H new ATOM 0 HH TYR A 51 2.568 -8.974 -3.886 1.00 10.00 H new ATOM 541 N CYS A 52 8.772 -5.277 -6.302 1.00 10.00 N ATOM 542 CA CYS A 52 9.328 -6.166 -7.314 1.00 10.00 C ATOM 543 C CYS A 52 10.548 -6.899 -6.761 1.00 10.00 C ATOM 544 O CYS A 52 10.732 -8.090 -7.005 1.00 10.00 O ATOM 545 CB CYS A 52 9.716 -5.376 -8.567 1.00 10.00 C ATOM 546 SG CYS A 52 8.372 -4.380 -9.261 1.00 10.00 S ATOM 0 H CYS A 52 8.815 -4.287 -6.544 1.00 10.00 H new ATOM 0 HA CYS A 52 8.567 -6.898 -7.584 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.552 -4.720 -8.325 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.067 -6.073 -9.328 1.00 10.00 H new ATOM 0 HG CYS A 52 8.135 -3.368 -8.481 1.00 10.00 H new ATOM 552 N GLN A 53 11.364 -6.181 -5.995 1.00 10.00 N ATOM 553 CA GLN A 53 12.563 -6.759 -5.397 1.00 10.00 C ATOM 554 C GLN A 53 12.186 -7.836 -4.383 1.00 10.00 C ATOM 555 O GLN A 53 12.806 -8.900 -4.329 1.00 10.00 O ATOM 556 CB GLN A 53 13.393 -5.673 -4.712 1.00 10.00 C ATOM 557 CG GLN A 53 13.783 -4.528 -5.635 1.00 10.00 C ATOM 558 CD GLN A 53 14.341 -3.336 -4.884 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.023 -3.119 -3.713 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.165 -2.543 -5.553 1.00 10.00 N ATOM 0 H GLN A 53 11.216 -5.196 -5.774 1.00 10.00 H new ATOM 0 HA GLN A 53 13.157 -7.212 -6.191 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.828 -5.273 -3.870 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.298 -6.123 -4.304 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.525 -4.881 -6.351 1.00 10.00 H new ATOM 0 HG3 GLN A 53 12.910 -4.215 -6.208 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.404 -2.756 -6.521 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.560 -1.719 -5.100 1.00 10.00 H new ATOM 569 N ARG A 54 11.154 -7.550 -3.595 1.00 10.00 N ATOM 570 CA ARG A 54 10.670 -8.478 -2.575 1.00 10.00 C ATOM 571 C ARG A 54 10.116 -9.752 -3.214 1.00 10.00 C ATOM 572 O ARG A 54 10.291 -10.852 -2.690 1.00 10.00 O ATOM 573 CB ARG A 54 9.586 -7.804 -1.727 1.00 10.00 C ATOM 574 CG ARG A 54 9.071 -8.658 -0.575 1.00 10.00 C ATOM 575 CD ARG A 54 10.056 -8.695 0.584 1.00 10.00 C ATOM 576 NE ARG A 54 9.392 -8.914 1.870 1.00 10.00 N ATOM 577 CZ ARG A 54 9.799 -8.375 3.021 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.870 -7.591 3.048 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.131 -8.624 4.142 1.00 10.00 N ATOM 0 H ARG A 54 10.632 -6.675 -3.644 1.00 10.00 H new ATOM 0 HA ARG A 54 11.509 -8.753 -1.936 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.983 -6.872 -1.324 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.748 -7.541 -2.372 1.00 10.00 H new ATOM 0 HG2 ARG A 54 8.116 -8.263 -0.228 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.887 -9.673 -0.928 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.784 -9.488 0.414 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.609 -7.756 0.618 1.00 10.00 H new ATOM 0 HE ARG A 54 8.568 -9.515 1.887 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.384 -7.399 2.188 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.179 -7.180 3.929 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.308 -9.226 4.122 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.441 -8.213 5.022 1.00 10.00 H new ATOM 593 N GLN A 55 9.452 -9.595 -4.351 1.00 10.00 N ATOM 594 CA GLN A 55 8.871 -10.729 -5.057 1.00 10.00 C ATOM 595 C GLN A 55 9.897 -11.386 -5.976 1.00 10.00 C ATOM 596 O GLN A 55 9.613 -12.404 -6.609 1.00 10.00 O ATOM 597 CB GLN A 55 7.647 -10.281 -5.862 1.00 10.00 C ATOM 598 CG GLN A 55 6.517 -9.738 -5.001 1.00 10.00 C ATOM 599 CD GLN A 55 6.078 -10.713 -3.927 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.558 -10.670 -2.795 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.168 -11.604 -4.281 1.00 10.00 N ATOM 0 H GLN A 55 9.302 -8.694 -4.804 1.00 10.00 H new ATOM 0 HA GLN A 55 8.558 -11.466 -4.317 1.00 10.00 H new ATOM 0 HB2 GLN A 55 7.952 -9.513 -6.573 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.276 -11.125 -6.443 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.838 -8.808 -4.532 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.665 -9.497 -5.637 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.797 -11.604 -5.231 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.837 -12.292 -3.604 1.00 10.00 H new ATOM 610 N GLY A 56 11.087 -10.800 -6.037 1.00 10.00 N ATOM 611 CA GLY A 56 12.146 -11.335 -6.868 1.00 10.00 C ATOM 612 C GLY A 56 11.795 -11.312 -8.341 1.00 10.00 C ATOM 613 O GLY A 56 12.103 -12.253 -9.077 1.00 10.00 O ATOM 0 H GLY A 56 11.337 -9.957 -5.521 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.057 -10.759 -6.706 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.359 -12.360 -6.564 1.00 10.00 H new ATOM 617 N VAL A 57 11.150 -10.238 -8.768 1.00 10.00 N ATOM 618 CA VAL A 57 10.748 -10.081 -10.156 1.00 10.00 C ATOM 619 C VAL A 57 11.314 -8.784 -10.724 1.00 10.00 C ATOM 620 O VAL A 57 11.642 -7.869 -9.969 1.00 10.00 O ATOM 621 CB VAL A 57 9.207 -10.090 -10.305 1.00 10.00 C ATOM 622 CG1 VAL A 57 8.661 -11.506 -10.175 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.563 -9.164 -9.283 1.00 10.00 C ATOM 0 H VAL A 57 10.892 -9.456 -8.167 1.00 10.00 H new ATOM 0 HA VAL A 57 11.147 -10.928 -10.715 1.00 10.00 H new ATOM 0 HB VAL A 57 8.958 -9.722 -11.300 1.00 10.00 H new ATOM 0 HG11 VAL A 57 7.576 -11.489 -10.283 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.093 -12.135 -10.953 1.00 10.00 H new ATOM 0 HG13 VAL A 57 8.922 -11.908 -9.196 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.480 -9.185 -9.405 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.822 -9.496 -8.277 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.926 -8.147 -9.434 1.00 10.00 H new ATOM 633 N PRO A 58 11.471 -8.703 -12.057 1.00 10.00 N ATOM 634 CA PRO A 58 11.997 -7.507 -12.721 1.00 10.00 C ATOM 635 C PRO A 58 11.157 -6.263 -12.433 1.00 10.00 C ATOM 636 O PRO A 58 10.025 -6.357 -11.957 1.00 10.00 O ATOM 637 CB PRO A 58 11.949 -7.853 -14.216 1.00 10.00 C ATOM 638 CG PRO A 58 11.087 -9.062 -14.332 1.00 10.00 C ATOM 639 CD PRO A 58 11.172 -9.777 -13.015 1.00 10.00 C ATOM 0 HA PRO A 58 12.999 -7.264 -12.367 1.00 10.00 H new ATOM 0 HB2 PRO A 58 11.539 -7.025 -14.795 1.00 10.00 H new ATOM 0 HB3 PRO A 58 12.949 -8.049 -14.603 1.00 10.00 H new ATOM 0 HG2 PRO A 58 10.057 -8.784 -14.556 1.00 10.00 H new ATOM 0 HG3 PRO A 58 11.427 -9.704 -15.144 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.237 -10.282 -12.772 1.00 10.00 H new ATOM 0 HD3 PRO A 58 11.953 -10.537 -13.021 1.00 10.00 H new ATOM 647 N MET A 59 11.710 -5.100 -12.735 1.00 10.00 N ATOM 648 CA MET A 59 11.023 -3.841 -12.483 1.00 10.00 C ATOM 649 C MET A 59 9.816 -3.663 -13.406 1.00 10.00 C ATOM 650 O MET A 59 9.909 -3.892 -14.615 1.00 10.00 O ATOM 651 CB MET A 59 11.992 -2.668 -12.654 1.00 10.00 C ATOM 652 CG MET A 59 11.458 -1.353 -12.114 1.00 10.00 C ATOM 653 SD MET A 59 12.641 -0.001 -12.279 1.00 10.00 S ATOM 654 CE MET A 59 11.801 1.289 -11.364 1.00 10.00 C ATOM 0 H MET A 59 12.634 -5.000 -13.156 1.00 10.00 H new ATOM 0 HA MET A 59 10.658 -3.862 -11.456 1.00 10.00 H new ATOM 0 HB2 MET A 59 12.928 -2.905 -12.149 1.00 10.00 H new ATOM 0 HB3 MET A 59 12.222 -2.549 -13.713 1.00 10.00 H new ATOM 0 HG2 MET A 59 10.540 -1.094 -12.642 1.00 10.00 H new ATOM 0 HG3 MET A 59 11.197 -1.476 -11.063 1.00 10.00 H new ATOM 0 HE1 MET A 59 11.470 2.067 -12.052 1.00 10.00 H new ATOM 0 HE2 MET A 59 10.937 0.867 -10.851 1.00 10.00 H new ATOM 0 HE3 MET A 59 12.484 1.719 -10.631 1.00 10.00 H new ATOM 664 N ASN A 60 8.686 -3.283 -12.801 1.00 10.00 N ATOM 665 CA ASN A 60 7.424 -3.039 -13.518 1.00 10.00 C ATOM 666 C ASN A 60 6.855 -4.321 -14.129 1.00 10.00 C ATOM 667 O ASN A 60 6.096 -4.283 -15.095 1.00 10.00 O ATOM 668 CB ASN A 60 7.608 -1.955 -14.592 1.00 10.00 C ATOM 669 CG ASN A 60 6.291 -1.335 -15.041 1.00 10.00 C ATOM 670 OD1 ASN A 60 5.650 -0.592 -14.294 1.00 10.00 O ATOM 671 ND2 ASN A 60 5.886 -1.625 -16.267 1.00 10.00 N ATOM 0 H ASN A 60 8.618 -3.134 -11.794 1.00 10.00 H new ATOM 0 HA ASN A 60 6.699 -2.682 -12.786 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.258 -1.172 -14.203 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.113 -2.388 -15.455 1.00 10.00 H new ATOM 0 HD21 ASN A 60 5.016 -1.230 -16.624 1.00 10.00 H new ATOM 0 HD22 ASN A 60 6.444 -2.244 -16.855 1.00 10.00 H new ATOM 678 N SER A 61 7.202 -5.459 -13.547 1.00 10.00 N ATOM 679 CA SER A 61 6.700 -6.737 -14.031 1.00 10.00 C ATOM 680 C SER A 61 5.264 -6.936 -13.568 1.00 10.00 C ATOM 681 O SER A 61 4.495 -7.700 -14.158 1.00 10.00 O ATOM 682 CB SER A 61 7.580 -7.872 -13.515 1.00 10.00 C ATOM 683 OG SER A 61 7.817 -7.734 -12.126 1.00 10.00 O ATOM 0 H SER A 61 7.826 -5.524 -12.743 1.00 10.00 H new ATOM 0 HA SER A 61 6.725 -6.741 -15.121 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.099 -8.830 -13.713 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.529 -7.875 -14.052 1.00 10.00 H new ATOM 0 HG SER A 61 8.701 -7.336 -11.983 1.00 10.00 H new ATOM 689 N LEU A 62 4.914 -6.229 -12.504 1.00 10.00 N ATOM 690 CA LEU A 62 3.587 -6.305 -11.929 1.00 10.00 C ATOM 691 C LEU A 62 2.900 -4.949 -12.001 1.00 10.00 C ATOM 692 O LEU A 62 3.533 -3.908 -11.814 1.00 10.00 O ATOM 693 CB LEU A 62 3.674 -6.763 -10.472 1.00 10.00 C ATOM 694 CG LEU A 62 4.495 -8.032 -10.227 1.00 10.00 C ATOM 695 CD1 LEU A 62 4.804 -8.188 -8.747 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.756 -9.256 -10.741 1.00 10.00 C ATOM 0 H LEU A 62 5.543 -5.589 -12.019 1.00 10.00 H new ATOM 0 HA LEU A 62 3.002 -7.027 -12.499 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.103 -5.954 -9.880 1.00 10.00 H new ATOM 0 HB3 LEU A 62 2.663 -6.928 -10.100 1.00 10.00 H new ATOM 0 HG LEU A 62 5.434 -7.941 -10.772 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.388 -9.095 -8.591 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.374 -7.325 -8.401 1.00 10.00 H new ATOM 0 HD13 LEU A 62 3.872 -8.256 -8.186 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.356 -10.147 -10.557 1.00 10.00 H new ATOM 0 HD22 LEU A 62 2.801 -9.349 -10.223 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.580 -9.152 -11.812 1.00 10.00 H new ATOM 708 N ARG A 63 1.609 -4.968 -12.279 1.00 10.00 N ATOM 709 CA ARG A 63 0.825 -3.751 -12.357 1.00 10.00 C ATOM 710 C ARG A 63 -0.042 -3.617 -11.113 1.00 10.00 C ATOM 711 O ARG A 63 -0.746 -4.555 -10.726 1.00 10.00 O ATOM 712 CB ARG A 63 -0.045 -3.732 -13.622 1.00 10.00 C ATOM 713 CG ARG A 63 -1.015 -4.900 -13.735 1.00 10.00 C ATOM 714 CD ARG A 63 -1.933 -4.748 -14.938 1.00 10.00 C ATOM 715 NE ARG A 63 -2.823 -5.899 -15.103 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.672 -6.832 -16.046 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.664 -6.770 -16.909 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.535 -7.834 -16.127 1.00 10.00 N ATOM 0 H ARG A 63 1.079 -5.821 -12.456 1.00 10.00 H new ATOM 0 HA ARG A 63 1.508 -2.903 -12.411 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.612 -2.801 -13.645 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.606 -3.730 -14.496 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.456 -5.832 -13.818 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.613 -4.967 -12.826 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.530 -3.843 -14.826 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.332 -4.624 -15.839 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.607 -5.994 -14.457 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -0.994 -6.003 -16.856 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -1.560 -7.489 -17.625 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.313 -7.892 -15.470 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.422 -8.548 -16.847 1.00 10.00 H new ATOM 732 N PHE A 64 0.031 -2.464 -10.474 1.00 10.00 N ATOM 733 CA PHE A 64 -0.747 -2.209 -9.274 1.00 10.00 C ATOM 734 C PHE A 64 -2.044 -1.506 -9.635 1.00 10.00 C ATOM 735 O PHE A 64 -2.031 -0.452 -10.272 1.00 10.00 O ATOM 736 CB PHE A 64 0.057 -1.362 -8.288 1.00 10.00 C ATOM 737 CG PHE A 64 1.278 -2.059 -7.762 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.496 -1.932 -8.410 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.207 -2.839 -6.620 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.621 -2.574 -7.930 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.328 -3.484 -6.135 1.00 10.00 C ATOM 742 CZ PHE A 64 3.536 -3.349 -6.792 1.00 10.00 C ATOM 0 H PHE A 64 0.623 -1.686 -10.766 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.982 -3.162 -8.800 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.359 -0.436 -8.777 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.584 -1.086 -7.451 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.567 -1.324 -9.300 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.265 -2.944 -6.103 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.565 -2.469 -8.444 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.260 -4.092 -5.245 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.415 -3.851 -6.414 1.00 10.00 H new ATOM 752 N LEU A 65 -3.154 -2.098 -9.235 1.00 10.00 N ATOM 753 CA LEU A 65 -4.462 -1.535 -9.521 1.00 10.00 C ATOM 754 C LEU A 65 -5.138 -1.060 -8.246 1.00 10.00 C ATOM 755 O LEU A 65 -5.340 -1.832 -7.304 1.00 10.00 O ATOM 756 CB LEU A 65 -5.350 -2.562 -10.230 1.00 10.00 C ATOM 757 CG LEU A 65 -4.868 -3.003 -11.614 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.793 -4.068 -12.179 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.787 -1.813 -12.562 1.00 10.00 C ATOM 0 H LEU A 65 -3.176 -2.972 -8.709 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.319 -0.678 -10.180 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.434 -3.444 -9.595 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.352 -2.144 -10.329 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.869 -3.426 -11.511 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.439 -4.373 -13.164 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.803 -4.931 -11.514 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.802 -3.665 -12.265 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.442 -2.150 -13.540 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.773 -1.359 -12.661 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.088 -1.078 -12.164 1.00 10.00 H new ATOM 771 N PHE A 66 -5.465 0.218 -8.222 1.00 10.00 N ATOM 772 CA PHE A 66 -6.136 0.829 -7.092 1.00 10.00 C ATOM 773 C PHE A 66 -7.418 1.486 -7.578 1.00 10.00 C ATOM 774 O PHE A 66 -7.376 2.433 -8.363 1.00 10.00 O ATOM 775 CB PHE A 66 -5.224 1.862 -6.422 1.00 10.00 C ATOM 776 CG PHE A 66 -5.805 2.468 -5.176 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.943 1.713 -4.023 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.215 3.793 -5.159 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.476 2.268 -2.876 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.748 4.353 -4.015 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.880 3.588 -2.872 1.00 10.00 C ATOM 0 H PHE A 66 -5.272 0.863 -8.988 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.376 0.065 -6.353 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.274 1.388 -6.175 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -5.007 2.658 -7.135 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.630 0.679 -4.021 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.116 4.394 -6.051 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.577 1.670 -1.983 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -7.061 5.387 -4.014 1.00 10.00 H new ATOM 0 HZ PHE A 66 -7.299 4.022 -1.976 1.00 10.00 H new ATOM 791 N GLU A 67 -8.551 0.947 -7.138 1.00 10.00 N ATOM 792 CA GLU A 67 -9.863 1.462 -7.520 1.00 10.00 C ATOM 793 C GLU A 67 -10.094 1.328 -9.024 1.00 10.00 C ATOM 794 O GLU A 67 -10.825 2.117 -9.622 1.00 10.00 O ATOM 795 CB GLU A 67 -10.022 2.919 -7.077 1.00 10.00 C ATOM 796 CG GLU A 67 -10.533 3.058 -5.654 1.00 10.00 C ATOM 797 CD GLU A 67 -11.928 2.493 -5.487 1.00 10.00 C ATOM 798 OE1 GLU A 67 -12.077 1.253 -5.462 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.888 3.287 -5.400 1.00 10.00 O ATOM 0 H GLU A 67 -8.587 0.145 -6.509 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.618 0.862 -7.011 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.060 3.425 -7.162 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.710 3.425 -7.754 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.852 2.546 -4.974 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -10.533 4.111 -5.372 1.00 10.00 H new ATOM 806 N GLY A 68 -9.464 0.324 -9.630 1.00 10.00 N ATOM 807 CA GLY A 68 -9.620 0.092 -11.055 1.00 10.00 C ATOM 808 C GLY A 68 -8.627 0.871 -11.898 1.00 10.00 C ATOM 809 O GLY A 68 -8.573 0.703 -13.117 1.00 10.00 O ATOM 0 H GLY A 68 -8.846 -0.335 -9.156 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.504 -0.973 -11.258 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.633 0.365 -11.353 1.00 10.00 H new ATOM 813 N GLN A 69 -7.836 1.716 -11.256 1.00 10.00 N ATOM 814 CA GLN A 69 -6.850 2.525 -11.959 1.00 10.00 C ATOM 815 C GLN A 69 -5.445 2.027 -11.639 1.00 10.00 C ATOM 816 O GLN A 69 -5.193 1.557 -10.531 1.00 10.00 O ATOM 817 CB GLN A 69 -7.005 3.997 -11.563 1.00 10.00 C ATOM 818 CG GLN A 69 -8.396 4.331 -11.037 1.00 10.00 C ATOM 819 CD GLN A 69 -8.627 5.816 -10.849 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.690 6.585 -10.644 1.00 10.00 O ATOM 821 NE2 GLN A 69 -9.884 6.227 -10.906 1.00 10.00 N ATOM 0 H GLN A 69 -7.857 1.860 -10.246 1.00 10.00 H new ATOM 0 HA GLN A 69 -7.012 2.436 -13.033 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.266 4.242 -10.800 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -6.790 4.624 -12.428 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -9.142 3.939 -11.729 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.548 3.824 -10.084 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -10.633 5.556 -11.078 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -10.104 7.215 -10.778 1.00 10.00 H new ATOM 830 N ARG A 70 -4.536 2.109 -12.601 1.00 10.00 N ATOM 831 CA ARG A 70 -3.172 1.647 -12.382 1.00 10.00 C ATOM 832 C ARG A 70 -2.325 2.743 -11.749 1.00 10.00 C ATOM 833 O ARG A 70 -2.444 3.921 -12.093 1.00 10.00 O ATOM 834 CB ARG A 70 -2.536 1.140 -13.688 1.00 10.00 C ATOM 835 CG ARG A 70 -2.099 2.237 -14.647 1.00 10.00 C ATOM 836 CD ARG A 70 -1.465 1.656 -15.905 1.00 10.00 C ATOM 837 NE ARG A 70 -0.213 0.946 -15.622 1.00 10.00 N ATOM 838 CZ ARG A 70 0.127 -0.227 -16.171 1.00 10.00 C ATOM 839 NH1 ARG A 70 -0.686 -0.833 -17.030 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.285 -0.801 -15.864 1.00 10.00 N ATOM 0 H ARG A 70 -4.715 2.487 -13.531 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.211 0.807 -11.689 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.670 0.526 -13.441 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.250 0.493 -14.198 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -2.960 2.848 -14.920 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.387 2.895 -14.149 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.168 0.972 -16.381 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.272 2.459 -16.616 1.00 10.00 H new ATOM 0 HE ARG A 70 0.440 1.373 -14.965 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -1.578 -0.405 -17.277 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.418 -1.726 -17.443 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.920 -0.348 -15.207 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.539 -1.695 -16.285 1.00 10.00 H new ATOM 854 N ILE A 71 -1.489 2.344 -10.805 1.00 10.00 N ATOM 855 CA ILE A 71 -0.617 3.273 -10.110 1.00 10.00 C ATOM 856 C ILE A 71 0.546 3.696 -11.000 1.00 10.00 C ATOM 857 O ILE A 71 1.323 2.858 -11.472 1.00 10.00 O ATOM 858 CB ILE A 71 -0.067 2.655 -8.804 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.218 2.272 -7.868 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.887 3.615 -8.108 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.127 3.428 -7.510 1.00 10.00 C ATOM 0 H ILE A 71 -1.397 1.375 -10.501 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.213 4.150 -9.859 1.00 10.00 H new ATOM 0 HB ILE A 71 0.488 1.753 -9.062 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.811 1.488 -8.339 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.804 1.851 -6.952 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.260 3.157 -7.192 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.724 3.839 -8.769 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.361 4.538 -7.864 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.916 3.078 -6.845 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.548 4.204 -7.009 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.572 3.836 -8.418 1.00 10.00 H new ATOM 873 N ALA A 72 0.653 4.997 -11.228 1.00 10.00 N ATOM 874 CA ALA A 72 1.718 5.547 -12.049 1.00 10.00 C ATOM 875 C ALA A 72 3.030 5.541 -11.274 1.00 10.00 C ATOM 876 O ALA A 72 3.037 5.391 -10.050 1.00 10.00 O ATOM 877 CB ALA A 72 1.367 6.959 -12.496 1.00 10.00 C ATOM 0 H ALA A 72 0.010 5.694 -10.852 1.00 10.00 H new ATOM 0 HA ALA A 72 1.835 4.926 -12.937 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.175 7.358 -13.110 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.445 6.938 -13.077 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.229 7.594 -11.621 1.00 10.00 H new ATOM 883 N ASP A 73 4.137 5.708 -11.979 1.00 10.00 N ATOM 884 CA ASP A 73 5.448 5.704 -11.338 1.00 10.00 C ATOM 885 C ASP A 73 5.693 7.006 -10.581 1.00 10.00 C ATOM 886 O ASP A 73 6.430 7.031 -9.598 1.00 10.00 O ATOM 887 CB ASP A 73 6.553 5.468 -12.368 1.00 10.00 C ATOM 888 CG ASP A 73 6.989 4.016 -12.426 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.131 3.123 -12.248 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.191 3.758 -12.652 1.00 10.00 O ATOM 0 H ASP A 73 4.158 5.847 -12.989 1.00 10.00 H new ATOM 0 HA ASP A 73 5.466 4.885 -10.618 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.201 5.778 -13.352 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.412 6.093 -12.125 1.00 10.00 H new ATOM 895 N ASN A 74 5.054 8.079 -11.027 1.00 10.00 N ATOM 896 CA ASN A 74 5.200 9.384 -10.385 1.00 10.00 C ATOM 897 C ASN A 74 4.011 9.667 -9.468 1.00 10.00 C ATOM 898 O ASN A 74 3.706 10.822 -9.163 1.00 10.00 O ATOM 899 CB ASN A 74 5.332 10.495 -11.439 1.00 10.00 C ATOM 900 CG ASN A 74 4.053 10.726 -12.225 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.251 9.814 -12.420 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.861 11.946 -12.696 1.00 10.00 N ATOM 0 H ASN A 74 4.428 8.074 -11.832 1.00 10.00 H new ATOM 0 HA ASN A 74 6.109 9.367 -9.783 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.621 11.423 -10.946 1.00 10.00 H new ATOM 0 HB3 ASN A 74 6.135 10.238 -12.130 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.025 12.156 -13.242 1.00 10.00 H new ATOM 0 HD22 ASN A 74 4.549 12.677 -12.514 1.00 10.00 H new ATOM 909 N HIS A 75 3.341 8.610 -9.030 1.00 10.00 N ATOM 910 CA HIS A 75 2.188 8.750 -8.152 1.00 10.00 C ATOM 911 C HIS A 75 2.613 8.854 -6.692 1.00 10.00 C ATOM 912 O HIS A 75 3.705 8.420 -6.313 1.00 10.00 O ATOM 913 CB HIS A 75 1.234 7.565 -8.324 1.00 10.00 C ATOM 914 CG HIS A 75 0.077 7.837 -9.234 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.838 6.856 -9.533 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.277 8.980 -9.871 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.719 7.417 -10.339 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.421 8.701 -10.573 1.00 10.00 N ATOM 0 H HIS A 75 3.576 7.646 -9.268 1.00 10.00 H new ATOM 0 HA HIS A 75 1.674 9.670 -8.430 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.795 6.715 -8.712 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.852 7.275 -7.345 1.00 10.00 H new ATOM 0 HD2 HIS A 75 0.242 9.927 -9.833 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.573 6.905 -10.757 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.945 9.348 -11.162 1.00 10.00 H new ATOM 926 N THR A 76 1.747 9.439 -5.883 1.00 10.00 N ATOM 927 CA THR A 76 1.995 9.598 -4.462 1.00 10.00 C ATOM 928 C THR A 76 0.744 9.207 -3.672 1.00 10.00 C ATOM 929 O THR A 76 -0.365 9.324 -4.183 1.00 10.00 O ATOM 930 CB THR A 76 2.405 11.049 -4.124 1.00 10.00 C ATOM 931 OG1 THR A 76 1.936 11.953 -5.138 1.00 10.00 O ATOM 932 CG2 THR A 76 3.919 11.168 -3.997 1.00 10.00 C ATOM 0 H THR A 76 0.852 9.817 -6.194 1.00 10.00 H new ATOM 0 HA THR A 76 2.820 8.943 -4.183 1.00 10.00 H new ATOM 0 HB THR A 76 1.949 11.312 -3.170 1.00 10.00 H new ATOM 0 HG1 THR A 76 1.099 11.613 -5.518 1.00 10.00 H new ATOM 0 HG21 THR A 76 4.184 12.198 -3.759 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.270 10.510 -3.202 1.00 10.00 H new ATOM 0 HG23 THR A 76 4.387 10.881 -4.939 1.00 10.00 H new ATOM 940 N PRO A 77 0.901 8.742 -2.418 1.00 10.00 N ATOM 941 CA PRO A 77 -0.237 8.322 -1.578 1.00 10.00 C ATOM 942 C PRO A 77 -1.203 9.467 -1.263 1.00 10.00 C ATOM 943 O PRO A 77 -2.317 9.243 -0.782 1.00 10.00 O ATOM 944 CB PRO A 77 0.428 7.822 -0.286 1.00 10.00 C ATOM 945 CG PRO A 77 1.856 7.585 -0.639 1.00 10.00 C ATOM 946 CD PRO A 77 2.186 8.573 -1.718 1.00 10.00 C ATOM 0 HA PRO A 77 -0.845 7.572 -2.084 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.338 8.559 0.512 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.045 6.907 0.070 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.501 7.725 0.229 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.007 6.563 -0.987 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.548 9.515 -1.306 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.962 8.198 -2.385 1.00 10.00 H new ATOM 954 N LYS A 78 -0.766 10.692 -1.537 1.00 10.00 N ATOM 955 CA LYS A 78 -1.578 11.874 -1.294 1.00 10.00 C ATOM 956 C LYS A 78 -2.751 11.924 -2.268 1.00 10.00 C ATOM 957 O LYS A 78 -3.877 12.244 -1.884 1.00 10.00 O ATOM 958 CB LYS A 78 -0.710 13.137 -1.407 1.00 10.00 C ATOM 959 CG LYS A 78 -1.485 14.451 -1.357 1.00 10.00 C ATOM 960 CD LYS A 78 -2.451 14.515 -0.177 1.00 10.00 C ATOM 961 CE LYS A 78 -1.735 14.455 1.165 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.697 14.445 2.297 1.00 10.00 N ATOM 0 H LYS A 78 0.154 10.890 -1.931 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.985 11.826 -0.284 1.00 10.00 H new ATOM 0 HB2 LYS A 78 0.022 13.132 -0.599 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.152 13.095 -2.343 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.782 15.282 -1.292 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.042 14.576 -2.286 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.031 15.436 -0.235 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.158 13.689 -0.245 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.113 13.561 1.207 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.068 15.312 1.261 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.175 14.404 3.196 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -3.273 15.310 2.271 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.317 13.614 2.218 1.00 10.00 H new ATOM 976 N GLU A 79 -2.492 11.580 -3.521 1.00 10.00 N ATOM 977 CA GLU A 79 -3.534 11.592 -4.533 1.00 10.00 C ATOM 978 C GLU A 79 -4.301 10.274 -4.511 1.00 10.00 C ATOM 979 O GLU A 79 -3.887 9.325 -3.837 1.00 10.00 O ATOM 980 CB GLU A 79 -2.943 11.860 -5.921 1.00 10.00 C ATOM 981 CG GLU A 79 -1.907 10.841 -6.366 1.00 10.00 C ATOM 982 CD GLU A 79 -0.944 11.400 -7.390 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.403 11.912 -8.433 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.282 11.339 -7.154 1.00 10.00 O ATOM 0 H GLU A 79 -1.574 11.291 -3.859 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.229 12.400 -4.307 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.753 11.880 -6.650 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.487 12.850 -5.924 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.347 10.494 -5.497 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.414 9.972 -6.786 1.00 10.00 H new ATOM 991 N LEU A 80 -5.425 10.240 -5.231 1.00 10.00 N ATOM 992 CA LEU A 80 -6.288 9.056 -5.315 1.00 10.00 C ATOM 993 C LEU A 80 -7.067 8.865 -4.014 1.00 10.00 C ATOM 994 O LEU A 80 -8.299 8.898 -4.011 1.00 10.00 O ATOM 995 CB LEU A 80 -5.484 7.793 -5.656 1.00 10.00 C ATOM 996 CG LEU A 80 -4.759 7.821 -7.003 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.630 6.802 -7.020 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.736 7.553 -8.138 1.00 10.00 C ATOM 0 H LEU A 80 -5.764 11.034 -5.774 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.998 9.222 -6.125 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.748 7.628 -4.869 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.160 6.938 -5.644 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.330 8.813 -7.144 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.125 6.835 -7.985 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.917 7.035 -6.229 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.038 5.804 -6.858 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.204 7.576 -9.089 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.192 6.573 -8.001 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.513 8.318 -8.138 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.348 8.692 -2.915 1.00 10.00 N ATOM 1011 CA GLY A 81 -6.987 8.506 -1.629 1.00 10.00 C ATOM 1012 C GLY A 81 -6.628 7.179 -1.000 1.00 10.00 C ATOM 1013 O GLY A 81 -7.421 6.242 -1.022 1.00 10.00 O ATOM 0 H GLY A 81 -5.328 8.677 -2.891 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -6.694 9.315 -0.959 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.068 8.568 -1.750 1.00 10.00 H new ATOM 1017 N MET A 82 -5.425 7.096 -0.448 1.00 10.00 N ATOM 1018 CA MET A 82 -4.960 5.872 0.191 1.00 10.00 C ATOM 1019 C MET A 82 -5.012 6.009 1.706 1.00 10.00 C ATOM 1020 O MET A 82 -4.339 6.866 2.285 1.00 10.00 O ATOM 1021 CB MET A 82 -3.536 5.543 -0.260 1.00 10.00 C ATOM 1022 CG MET A 82 -3.438 5.158 -1.727 1.00 10.00 C ATOM 1023 SD MET A 82 -1.745 4.819 -2.250 1.00 10.00 S ATOM 1024 CE MET A 82 -2.033 4.298 -3.937 1.00 10.00 C ATOM 0 H MET A 82 -4.753 7.863 -0.430 1.00 10.00 H new ATOM 0 HA MET A 82 -5.619 5.057 -0.108 1.00 10.00 H new ATOM 0 HB2 MET A 82 -2.897 6.406 -0.076 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.151 4.725 0.349 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.053 4.276 -1.908 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.848 5.963 -2.337 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.082 4.050 -4.408 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.680 3.421 -3.941 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.512 5.106 -4.490 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.816 5.168 2.340 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.969 5.193 3.788 1.00 10.00 C ATOM 1036 C GLU A 83 -5.387 3.928 4.413 1.00 10.00 C ATOM 1037 O GLU A 83 -4.831 3.076 3.720 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.451 5.316 4.155 1.00 10.00 C ATOM 1039 CG GLU A 83 -8.125 6.554 3.586 1.00 10.00 C ATOM 1040 CD GLU A 83 -7.785 7.808 4.363 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -8.321 7.983 5.477 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.993 8.631 3.860 1.00 10.00 O ATOM 0 H GLU A 83 -6.376 4.456 1.871 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.427 6.055 4.177 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.978 4.431 3.799 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.547 5.329 5.241 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.824 6.682 2.546 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -9.205 6.410 3.590 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.511 3.814 5.729 1.00 10.00 N ATOM 1050 CA GLU A 84 -5.013 2.648 6.443 1.00 10.00 C ATOM 1051 C GLU A 84 -5.934 1.461 6.176 1.00 10.00 C ATOM 1052 O GLU A 84 -7.153 1.628 6.103 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.934 2.942 7.944 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.437 1.774 8.789 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.009 1.367 8.477 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.191 2.247 8.136 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.694 0.165 8.589 1.00 10.00 O ATOM 0 H GLU A 84 -5.953 4.516 6.323 1.00 10.00 H new ATOM 0 HA GLU A 84 -4.010 2.406 6.090 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.274 3.795 8.101 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.923 3.235 8.297 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.508 2.042 9.843 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.093 0.918 8.633 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.338 0.278 6.007 1.00 10.00 N ATOM 1065 CA GLU A 85 -6.088 -0.952 5.741 1.00 10.00 C ATOM 1066 C GLU A 85 -6.688 -0.934 4.340 1.00 10.00 C ATOM 1067 O GLU A 85 -7.642 -1.660 4.053 1.00 10.00 O ATOM 1068 CB GLU A 85 -7.197 -1.168 6.779 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.684 -1.631 8.129 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.106 -3.027 8.083 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -6.877 -4.002 8.195 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -4.873 -3.154 7.957 1.00 10.00 O ATOM 0 H GLU A 85 -4.328 0.146 6.050 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.383 -1.780 5.812 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.748 -0.236 6.909 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.903 -1.905 6.396 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.921 -0.937 8.481 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.499 -1.603 8.852 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.127 -0.102 3.472 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.608 -0.004 2.101 1.00 10.00 C ATOM 1081 C ASP A 86 -6.220 -1.249 1.322 1.00 10.00 C ATOM 1082 O ASP A 86 -5.195 -1.873 1.606 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.053 1.238 1.414 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.139 2.024 0.716 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -7.914 1.415 -0.051 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.234 3.248 0.949 1.00 10.00 O ATOM 0 H ASP A 86 -5.342 0.512 3.692 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.695 0.078 2.126 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.561 1.873 2.151 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.294 0.944 0.689 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.031 -1.608 0.340 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.773 -2.798 -0.455 1.00 10.00 C ATOM 1093 C VAL A 87 -6.344 -2.442 -1.874 1.00 10.00 C ATOM 1094 O VAL A 87 -7.062 -1.754 -2.602 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.008 -3.724 -0.521 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.669 -5.014 -1.257 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.530 -4.023 0.876 1.00 10.00 C ATOM 0 H VAL A 87 -7.871 -1.094 0.075 1.00 10.00 H new ATOM 0 HA VAL A 87 -5.961 -3.327 0.044 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.794 -3.210 -1.074 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.550 -5.654 -1.294 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.348 -4.780 -2.272 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -6.866 -5.532 -0.732 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.400 -4.676 0.807 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.751 -4.516 1.458 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.814 -3.091 1.365 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.169 -2.915 -2.252 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.637 -2.683 -3.582 1.00 10.00 C ATOM 1109 C ILE A 88 -4.375 -4.030 -4.257 1.00 10.00 C ATOM 1110 O ILE A 88 -3.967 -4.993 -3.602 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.351 -1.820 -3.541 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.874 -1.480 -4.958 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.251 -2.516 -2.752 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.831 -0.386 -4.997 1.00 10.00 C ATOM 0 H ILE A 88 -4.560 -3.468 -1.649 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.371 -2.124 -4.162 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.591 -0.887 -3.032 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.464 -2.378 -5.420 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.731 -1.175 -5.558 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.360 -1.889 -2.739 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.589 -2.687 -1.730 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.015 -3.471 -3.221 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.540 -0.198 -6.030 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.243 0.525 -4.564 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.957 -0.696 -4.424 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.640 -4.108 -5.551 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.451 -5.349 -6.288 1.00 10.00 C ATOM 1128 C GLU A 89 -3.174 -5.313 -7.116 1.00 10.00 C ATOM 1129 O GLU A 89 -2.783 -4.261 -7.624 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.649 -5.606 -7.199 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.960 -5.788 -6.452 1.00 10.00 C ATOM 1132 CD GLU A 89 -8.145 -5.926 -7.385 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.377 -7.040 -7.902 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.856 -4.923 -7.599 1.00 10.00 O ATOM 0 H GLU A 89 -4.986 -3.330 -6.112 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.365 -6.158 -5.563 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.750 -4.773 -7.894 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.455 -6.497 -7.796 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.894 -6.674 -5.820 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -7.119 -4.936 -5.791 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.529 -6.464 -7.243 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.303 -6.575 -8.017 1.00 10.00 C ATOM 1143 C VAL A 90 -1.397 -7.753 -8.989 1.00 10.00 C ATOM 1144 O VAL A 90 -1.704 -8.878 -8.594 1.00 10.00 O ATOM 1145 CB VAL A 90 -0.061 -6.723 -7.101 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -0.138 -7.986 -6.255 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.216 -6.708 -7.921 1.00 10.00 C ATOM 0 H VAL A 90 -2.837 -7.338 -6.817 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.182 -5.654 -8.587 1.00 10.00 H new ATOM 0 HB VAL A 90 -0.049 -5.869 -6.423 1.00 10.00 H new ATOM 0 HG11 VAL A 90 0.749 -8.057 -5.626 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -1.027 -7.949 -5.626 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -0.191 -8.858 -6.907 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.075 -6.813 -7.258 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.202 -7.535 -8.631 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.289 -5.765 -8.463 1.00 10.00 H new ATOM 1157 N TYR A 91 -1.169 -7.481 -10.267 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.234 -8.517 -11.293 1.00 10.00 C ATOM 1159 C TYR A 91 -0.028 -8.421 -12.214 1.00 10.00 C ATOM 1160 O TYR A 91 0.580 -7.364 -12.326 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.538 -8.396 -12.087 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.768 -8.594 -11.226 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -4.134 -9.862 -10.797 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.546 -7.515 -10.826 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -5.239 -10.052 -9.992 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.656 -7.699 -10.022 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.997 -8.969 -9.607 1.00 10.00 C ATOM 1168 OH TYR A 91 -7.092 -9.160 -8.795 1.00 10.00 O ATOM 0 H TYR A 91 -0.937 -6.552 -10.619 1.00 10.00 H new ATOM 0 HA TYR A 91 -1.218 -9.494 -10.810 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.583 -7.413 -12.556 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.539 -9.133 -12.890 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.544 -10.715 -11.098 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.280 -6.519 -11.147 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.508 -11.046 -9.666 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.253 -6.851 -9.720 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.643 -8.350 -8.794 1.00 10.00 H new ATOM 1178 N GLN A 92 0.317 -9.521 -12.867 1.00 10.00 N ATOM 1179 CA GLN A 92 1.471 -9.544 -13.762 1.00 10.00 C ATOM 1180 C GLN A 92 1.146 -8.887 -15.098 1.00 10.00 C ATOM 1181 O GLN A 92 0.039 -9.030 -15.618 1.00 10.00 O ATOM 1182 CB GLN A 92 1.940 -10.981 -13.994 1.00 10.00 C ATOM 1183 CG GLN A 92 3.375 -11.074 -14.485 1.00 10.00 C ATOM 1184 CD GLN A 92 3.628 -12.318 -15.308 1.00 10.00 C ATOM 1185 OE1 GLN A 92 3.933 -13.382 -14.766 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.514 -12.194 -16.623 1.00 10.00 N ATOM 0 H GLN A 92 -0.182 -10.408 -12.796 1.00 10.00 H new ATOM 0 HA GLN A 92 2.271 -8.978 -13.285 1.00 10.00 H new ATOM 0 HB2 GLN A 92 1.845 -11.541 -13.064 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.283 -11.457 -14.722 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.608 -10.193 -15.083 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.050 -11.066 -13.629 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.259 -11.294 -17.030 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.681 -12.998 -17.227 1.00 10.00 H new ATOM 1195 N GLU A 93 2.117 -8.164 -15.644 1.00 10.00 N ATOM 1196 CA GLU A 93 1.946 -7.491 -16.922 1.00 10.00 C ATOM 1197 C GLU A 93 2.158 -8.471 -18.072 1.00 10.00 C ATOM 1198 O GLU A 93 2.936 -9.421 -17.953 1.00 10.00 O ATOM 1199 CB GLU A 93 2.920 -6.317 -17.044 1.00 10.00 C ATOM 1200 CG GLU A 93 2.494 -5.087 -16.254 1.00 10.00 C ATOM 1201 CD GLU A 93 1.334 -4.354 -16.898 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.293 -4.990 -17.164 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.457 -3.134 -17.143 1.00 10.00 O ATOM 0 H GLU A 93 3.034 -8.030 -15.218 1.00 10.00 H new ATOM 0 HA GLU A 93 0.928 -7.106 -16.974 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.905 -6.635 -16.701 1.00 10.00 H new ATOM 0 HB3 GLU A 93 3.020 -6.047 -18.095 1.00 10.00 H new ATOM 0 HG2 GLU A 93 2.214 -5.387 -15.244 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.342 -4.408 -16.161 1.00 10.00 H new ATOM 1210 N GLN A 94 1.470 -8.229 -19.181 1.00 10.00 N ATOM 1211 CA GLN A 94 1.566 -9.087 -20.358 1.00 10.00 C ATOM 1212 C GLN A 94 2.960 -9.014 -20.980 1.00 10.00 C ATOM 1213 O GLN A 94 3.494 -10.014 -21.453 1.00 10.00 O ATOM 1214 CB GLN A 94 0.509 -8.677 -21.393 1.00 10.00 C ATOM 1215 CG GLN A 94 0.655 -9.376 -22.738 1.00 10.00 C ATOM 1216 CD GLN A 94 -0.179 -8.728 -23.826 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -0.452 -7.530 -23.785 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -0.579 -9.511 -24.813 1.00 10.00 N ATOM 0 H GLN A 94 0.834 -7.439 -19.291 1.00 10.00 H new ATOM 0 HA GLN A 94 1.386 -10.115 -20.045 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.481 -8.890 -20.990 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.565 -7.599 -21.547 1.00 10.00 H new ATOM 0 HG2 GLN A 94 1.704 -9.368 -23.036 1.00 10.00 H new ATOM 0 HG3 GLN A 94 0.362 -10.421 -22.634 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -0.332 -10.501 -24.811 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -1.135 -9.126 -25.577 1.00 10.00 H new ATOM 1227 N THR A 95 3.549 -7.826 -20.964 1.00 10.00 N ATOM 1228 CA THR A 95 4.873 -7.622 -21.535 1.00 10.00 C ATOM 1229 C THR A 95 5.967 -8.167 -20.620 1.00 10.00 C ATOM 1230 O THR A 95 7.122 -8.287 -21.025 1.00 10.00 O ATOM 1231 CB THR A 95 5.127 -6.127 -21.793 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.647 -5.358 -20.680 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.429 -5.669 -23.063 1.00 10.00 C ATOM 0 H THR A 95 3.130 -6.988 -20.561 1.00 10.00 H new ATOM 0 HA THR A 95 4.905 -8.166 -22.479 1.00 10.00 H new ATOM 0 HB THR A 95 6.200 -5.976 -21.913 1.00 10.00 H new ATOM 0 HG1 THR A 95 4.811 -4.406 -20.845 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.624 -4.609 -23.223 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.806 -6.240 -23.912 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.355 -5.830 -22.966 1.00 10.00 H new ATOM 1241 N GLY A 96 5.599 -8.493 -19.384 1.00 10.00 N ATOM 1242 CA GLY A 96 6.566 -9.009 -18.431 1.00 10.00 C ATOM 1243 C GLY A 96 7.311 -7.898 -17.716 1.00 10.00 C ATOM 1244 O GLY A 96 8.029 -8.141 -16.742 1.00 10.00 O ATOM 0 H GLY A 96 4.648 -8.409 -19.025 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.054 -9.632 -17.698 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.280 -9.648 -18.950 1.00 10.00 H new ATOM 1248 N GLY A 97 7.131 -6.681 -18.204 1.00 10.00 N ATOM 1249 CA GLY A 97 7.778 -5.527 -17.629 1.00 10.00 C ATOM 1250 C GLY A 97 7.294 -4.254 -18.285 1.00 10.00 C ATOM 1251 O GLY A 97 7.577 -3.156 -17.766 1.00 10.00 O ATOM 0 H GLY A 97 6.535 -6.473 -19.005 1.00 10.00 H new ATOM 0 HA2 GLY A 97 7.577 -5.488 -16.558 1.00 10.00 H new ATOM 0 HA3 GLY A 97 8.858 -5.614 -17.748 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.532 -17.371 6.342 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.045 -15.975 6.395 1.00 10.00 C ATOM 1258 C ASN B 357 -2.527 -15.946 6.424 1.00 10.00 C ATOM 1259 O ASN B 357 -1.893 -16.474 7.339 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.624 -15.239 7.617 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.766 -14.072 8.085 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -2.968 -14.209 9.016 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -3.911 -12.920 7.445 1.00 10.00 N ATOM 0 HA ASN B 357 -4.385 -15.459 5.497 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.620 -14.872 7.372 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.739 -15.948 8.437 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.353 -12.111 7.718 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -4.581 -12.843 6.679 1.00 10.00 H new ATOM 1270 N ASN B 358 -1.943 -15.346 5.408 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.502 -15.229 5.325 1.00 10.00 C ATOM 1272 C ASN B 358 -0.149 -13.765 5.320 1.00 10.00 C ATOM 1273 O ASN B 358 -0.678 -13.007 4.511 1.00 10.00 O ATOM 1274 CB ASN B 358 0.025 -15.887 4.055 1.00 10.00 C ATOM 1275 CG ASN B 358 1.509 -16.179 4.139 1.00 10.00 C ATOM 1276 OD1 ASN B 358 2.065 -16.307 5.232 1.00 10.00 O ATOM 1277 ND2 ASN B 358 2.161 -16.297 2.997 1.00 10.00 N ATOM 0 H ASN B 358 -2.447 -14.930 4.625 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.048 -15.732 6.178 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.517 -16.815 3.876 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.168 -15.236 3.203 1.00 10.00 H new ATOM 0 HD21 ASN B 358 3.160 -16.501 2.999 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.665 -16.184 2.113 1.00 10.00 H new ATOM 1284 N ARG B 359 0.728 -13.359 6.218 1.00 10.00 N ATOM 1285 CA ARG B 359 1.092 -11.957 6.309 1.00 10.00 C ATOM 1286 C ARG B 359 2.592 -11.719 6.196 1.00 10.00 C ATOM 1287 O ARG B 359 3.396 -12.362 6.877 1.00 10.00 O ATOM 1288 CB ARG B 359 0.565 -11.374 7.624 1.00 10.00 C ATOM 1289 CG ARG B 359 0.889 -12.232 8.830 1.00 10.00 C ATOM 1290 CD ARG B 359 -0.142 -12.068 9.933 1.00 10.00 C ATOM 1291 NE ARG B 359 -0.003 -13.092 10.967 1.00 10.00 N ATOM 1292 CZ ARG B 359 -0.447 -12.956 12.216 1.00 10.00 C ATOM 1293 NH1 ARG B 359 -1.016 -11.819 12.602 1.00 10.00 N ATOM 1294 NH2 ARG B 359 -0.317 -13.956 13.078 1.00 10.00 N ATOM 0 H ARG B 359 1.197 -13.970 6.887 1.00 10.00 H new ATOM 0 HA ARG B 359 0.633 -11.452 5.459 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.989 -10.380 7.769 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.516 -11.252 7.553 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.936 -13.279 8.529 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.875 -11.965 9.211 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -0.038 -11.081 10.383 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -1.143 -12.119 9.505 1.00 10.00 H new ATOM 0 HE ARG B 359 0.463 -13.964 10.717 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -1.114 -11.048 11.942 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -1.355 -11.717 13.559 1.00 10.00 H new ATOM 0 HH21 ARG B 359 0.123 -14.828 12.785 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -0.657 -13.852 14.034 1.00 10.00 H new ATOM 1308 N ASP B 360 2.956 -10.829 5.300 1.00 10.00 N ATOM 1309 CA ASP B 360 4.343 -10.414 5.141 1.00 10.00 C ATOM 1310 C ASP B 360 4.387 -8.896 5.298 1.00 10.00 C ATOM 1311 O ASP B 360 3.638 -8.194 4.620 1.00 10.00 O ATOM 1312 CB ASP B 360 4.906 -10.845 3.777 1.00 10.00 C ATOM 1313 CG ASP B 360 6.358 -10.424 3.574 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.724 -10.053 2.434 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.146 -10.472 4.545 1.00 10.00 O ATOM 0 H ASP B 360 2.307 -10.371 4.661 1.00 10.00 H new ATOM 0 HA ASP B 360 4.966 -10.894 5.896 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.831 -11.928 3.685 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.294 -10.414 2.985 1.00 10.00 H new ATOM 1320 N PRO B 361 5.244 -8.346 6.176 1.00 10.00 N ATOM 1321 CA PRO B 361 5.321 -6.914 6.371 1.00 10.00 C ATOM 1322 C PRO B 361 6.612 -6.307 5.831 1.00 10.00 C ATOM 1323 O PRO B 361 7.725 -6.736 6.145 1.00 10.00 O ATOM 1324 CB PRO B 361 5.301 -6.829 7.903 1.00 10.00 C ATOM 1325 CG PRO B 361 5.909 -8.121 8.381 1.00 10.00 C ATOM 1326 CD PRO B 361 6.054 -9.032 7.177 1.00 10.00 C ATOM 0 HA PRO B 361 4.530 -6.370 5.854 1.00 10.00 H new ATOM 0 HB2 PRO B 361 5.872 -5.971 8.257 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.284 -6.711 8.277 1.00 10.00 H new ATOM 0 HG2 PRO B 361 6.879 -7.940 8.843 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.277 -8.585 9.138 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.093 -9.130 6.863 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.686 -10.038 7.380 1.00 10.00 H new ATOM 1334 N ILE B 362 6.429 -5.283 5.014 1.00 10.00 N ATOM 1335 CA ILE B 362 7.522 -4.572 4.379 1.00 10.00 C ATOM 1336 C ILE B 362 7.520 -3.117 4.815 1.00 10.00 C ATOM 1337 O ILE B 362 6.470 -2.474 4.881 1.00 10.00 O ATOM 1338 CB ILE B 362 7.447 -4.633 2.836 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.970 -6.013 2.372 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.805 -4.305 2.217 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.611 -6.062 0.906 1.00 10.00 C ATOM 0 H ILE B 362 5.507 -4.920 4.772 1.00 10.00 H new ATOM 0 HA ILE B 362 8.443 -5.063 4.692 1.00 10.00 H new ATOM 0 HB ILE B 362 6.725 -3.888 2.502 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.752 -6.746 2.572 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.101 -6.306 2.961 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.731 -4.353 1.131 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.108 -3.302 2.516 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.546 -5.026 2.563 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.282 -7.068 0.645 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.808 -5.353 0.704 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.484 -5.800 0.309 1.00 10.00 H new ATOM 1353 N VAL B 363 8.697 -2.611 5.126 1.00 10.00 N ATOM 1354 CA VAL B 363 8.851 -1.241 5.564 1.00 10.00 C ATOM 1355 C VAL B 363 9.624 -0.470 4.510 1.00 10.00 C ATOM 1356 O VAL B 363 10.614 -0.955 3.959 1.00 10.00 O ATOM 1357 CB VAL B 363 9.559 -1.129 6.928 1.00 10.00 C ATOM 1358 CG1 VAL B 363 9.459 0.288 7.473 1.00 10.00 C ATOM 1359 CG2 VAL B 363 8.974 -2.123 7.918 1.00 10.00 C ATOM 0 H VAL B 363 9.570 -3.137 5.082 1.00 10.00 H new ATOM 0 HA VAL B 363 7.855 -0.818 5.694 1.00 10.00 H new ATOM 0 HB VAL B 363 10.613 -1.366 6.784 1.00 10.00 H new ATOM 0 HG11 VAL B 363 9.966 0.344 8.437 1.00 10.00 H new ATOM 0 HG12 VAL B 363 9.930 0.980 6.775 1.00 10.00 H new ATOM 0 HG13 VAL B 363 8.410 0.556 7.599 1.00 10.00 H new ATOM 0 HG21 VAL B 363 9.487 -2.028 8.875 1.00 10.00 H new ATOM 0 HG22 VAL B 363 7.912 -1.919 8.054 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.103 -3.136 7.536 1.00 10.00 H new ATOM 1369 N ILE B 364 9.155 0.731 4.248 1.00 10.00 N ATOM 1370 CA ILE B 364 9.698 1.589 3.219 1.00 10.00 C ATOM 1371 C ILE B 364 10.410 2.793 3.810 1.00 10.00 C ATOM 1372 O ILE B 364 10.052 3.300 4.879 1.00 10.00 O ATOM 1373 CB ILE B 364 8.628 2.048 2.207 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.291 2.345 0.860 1.00 10.00 C ATOM 1375 CG2 ILE B 364 7.854 3.277 2.706 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.940 1.137 0.211 1.00 10.00 C ATOM 0 H ILE B 364 8.372 1.145 4.754 1.00 10.00 H new ATOM 0 HA ILE B 364 10.427 0.985 2.679 1.00 10.00 H new ATOM 0 HB ILE B 364 7.906 1.240 2.090 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.542 2.751 0.180 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.046 3.118 1.001 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.111 3.566 1.962 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.354 3.036 3.644 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.547 4.103 2.866 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.387 1.430 -0.739 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.714 0.742 0.869 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.186 0.369 0.035 1.00 10.00 H new HETATM 1388 N SEP B 365 11.440 3.223 3.107 1.00 10.00 N HETATM 1389 CA SEP B 365 12.278 4.319 3.532 1.00 10.00 C HETATM 1390 CB SEP B 365 13.745 3.987 3.253 1.00 10.00 C HETATM 1391 OG SEP B 365 13.968 3.881 1.854 1.00 10.00 O HETATM 1392 C SEP B 365 11.886 5.552 2.747 1.00 10.00 C HETATM 1393 O SEP B 365 11.635 5.495 1.539 1.00 10.00 O HETATM 1394 P SEP B 365 14.677 2.601 1.230 1.00 10.00 P HETATM 1395 O1P SEP B 365 13.772 1.718 0.478 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.564 1.885 2.162 1.00 10.00 O HETATM 1397 O3P SEP B 365 15.656 3.201 0.122 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.387 4.762 3.673 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.013 3.051 3.743 1.00 10.00 H new HETATM 0 HA SEP B 365 12.150 4.492 4.600 1.00 10.00 H new HETATM 0 H SEP B 365 11.860 2.391 2.692 1.00 10.00 H new ATOM 1402 N ASP B 366 11.803 6.657 3.457 1.00 10.00 N ATOM 1403 CA ASP B 366 11.366 7.904 2.881 1.00 10.00 C ATOM 1404 C ASP B 366 12.511 8.896 2.822 1.00 10.00 C ATOM 1405 O ASP B 366 13.215 9.133 3.809 1.00 10.00 O ATOM 1406 CB ASP B 366 10.224 8.441 3.748 1.00 10.00 C ATOM 1407 CG ASP B 366 9.845 9.869 3.447 1.00 10.00 C ATOM 1408 OD1 ASP B 366 9.946 10.718 4.361 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.414 10.144 2.312 1.00 10.00 O ATOM 0 H ASP B 366 12.037 6.713 4.448 1.00 10.00 H new ATOM 0 HA ASP B 366 11.021 7.750 1.859 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.348 7.807 3.611 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.511 8.365 4.797 1.00 10.00 H new HETATM 1414 N SEP B 367 12.698 9.435 1.631 1.00 10.00 N HETATM 1415 CA SEP B 367 13.751 10.396 1.361 1.00 10.00 C HETATM 1416 CB SEP B 367 13.880 10.605 -0.151 1.00 10.00 C HETATM 1417 OG SEP B 367 14.900 9.776 -0.711 1.00 10.00 O HETATM 1418 C SEP B 367 13.484 11.724 2.064 1.00 10.00 C HETATM 1419 O SEP B 367 12.359 12.228 2.042 1.00 10.00 O HETATM 1420 P SEP B 367 14.651 8.220 -1.008 1.00 10.00 P HETATM 1421 O1P SEP B 367 15.679 7.617 -1.873 1.00 10.00 O HETATM 1422 O2P SEP B 367 14.346 7.405 0.185 1.00 10.00 O HETATM 1423 O3P SEP B 367 13.318 8.168 -1.892 1.00 10.00 O HETATM 0 HB3 SEP B 367 12.927 10.385 -0.632 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.107 11.651 -0.356 1.00 10.00 H new HETATM 0 HA SEP B 367 14.689 10.001 1.752 1.00 10.00 H new HETATM 0 H SEP B 367 12.179 9.017 0.859 1.00 10.00 H new ATOM 1428 N PRO B 368 14.518 12.287 2.719 1.00 10.00 N ATOM 1429 CA PRO B 368 14.412 13.566 3.433 1.00 10.00 C ATOM 1430 C PRO B 368 13.864 14.677 2.545 1.00 10.00 C ATOM 1431 O PRO B 368 12.734 15.137 2.800 1.00 10.00 O ATOM 1432 CB PRO B 368 15.856 13.868 3.844 1.00 10.00 C ATOM 1433 CG PRO B 368 16.520 12.539 3.897 1.00 10.00 C ATOM 1434 CD PRO B 368 15.875 11.715 2.821 1.00 10.00 C ATOM 0 HA PRO B 368 13.722 13.508 4.275 1.00 10.00 H new ATOM 0 HB2 PRO B 368 16.343 14.525 3.124 1.00 10.00 H new ATOM 0 HB3 PRO B 368 15.896 14.369 4.811 1.00 10.00 H new ATOM 0 HG2 PRO B 368 17.593 12.631 3.728 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.390 12.076 4.875 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.415 11.792 1.878 1.00 10.00 H new ATOM 0 HD3 PRO B 368 15.847 10.658 3.087 1.00 10.00 H new TER 1442 PRO B 368