USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.0811 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00287) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.28 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0.645 K(o=0.64,f=-0.54) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -97:sc= 1.09 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.98) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0.982 (180deg=0.574) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -0.11 (180deg=-0.638) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.786 K(o=0.79,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.146) USER MOD Single : A 49 GLN : amide:sc= -0.0635 K(o=-0.063,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.236 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.059 -6.920 -4.521 1.00 9.67 N ATOM 2 CA MET A 1 11.826 -7.307 -3.113 1.00 10.38 C ATOM 3 C MET A 1 10.407 -7.726 -2.892 1.00 9.62 C ATOM 4 O MET A 1 9.583 -7.604 -3.757 1.00 9.62 O ATOM 5 CB MET A 1 12.244 -6.189 -2.147 1.00 13.77 C ATOM 6 CG MET A 1 11.366 -4.936 -2.178 1.00 16.29 C ATOM 7 SD MET A 1 12.094 -3.747 -0.988 1.00 17.17 S ATOM 8 CE MET A 1 10.587 -2.818 -0.817 1.00 16.11 C ATOM 0 H1 MET A 1 13.078 -6.782 -4.679 1.00 9.67 H new ATOM 0 H2 MET A 1 11.710 -7.671 -5.150 1.00 9.67 H new ATOM 0 H3 MET A 1 11.554 -6.034 -4.726 1.00 9.67 H new ATOM 0 HA MET A 1 12.457 -8.170 -2.900 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.243 -6.588 -1.133 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.270 -5.899 -2.374 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.336 -4.510 -3.181 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.339 -5.177 -1.904 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.749 -1.984 -0.134 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.283 -2.435 -1.791 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.804 -3.465 -0.421 1.00 16.11 H new ATOM 20 N GLN A 2 10.128 -8.308 -1.698 1.00 9.27 N ATOM 21 CA GLN A 2 8.835 -8.707 -1.271 1.00 9.07 C ATOM 22 C GLN A 2 8.325 -7.656 -0.291 1.00 8.72 C ATOM 23 O GLN A 2 9.128 -7.045 0.397 1.00 8.22 O ATOM 24 CB GLN A 2 8.836 -10.140 -0.600 1.00 14.46 C ATOM 25 CG GLN A 2 9.244 -11.359 -1.447 1.00 17.01 C ATOM 26 CD GLN A 2 8.411 -11.589 -2.738 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.193 -11.932 -2.837 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.162 -11.377 -3.856 1.00 19.49 N ATOM 0 H GLN A 2 10.851 -8.504 -1.006 1.00 9.27 H new ATOM 0 HA GLN A 2 8.180 -8.780 -2.139 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.502 -10.100 0.262 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.832 -10.325 -0.218 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.292 -11.250 -1.727 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.171 -12.251 -0.825 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.140 -11.102 -3.769 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.746 -11.494 -4.780 1.00 19.49 H new ATOM 37 N ILE A 3 6.986 -7.508 -0.145 1.00 5.87 N ATOM 38 CA ILE A 3 6.379 -6.823 0.962 1.00 5.07 C ATOM 39 C ILE A 3 5.076 -7.559 1.319 1.00 4.01 C ATOM 40 O ILE A 3 4.615 -8.345 0.490 1.00 4.61 O ATOM 41 CB ILE A 3 6.016 -5.325 0.742 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.066 -5.182 -0.448 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.353 -4.491 0.634 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.580 -3.755 -0.749 1.00 10.83 C ATOM 0 H ILE A 3 6.311 -7.875 -0.816 1.00 5.87 H new ATOM 0 HA ILE A 3 7.137 -6.831 1.746 1.00 5.07 H new ATOM 0 HB ILE A 3 5.465 -4.916 1.589 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.565 -5.570 -1.336 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.195 -5.812 -0.271 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.114 -3.439 0.480 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.926 -4.602 1.554 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.943 -4.856 -0.207 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.913 -3.772 -1.611 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.045 -3.363 0.116 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.437 -3.117 -0.966 1.00 10.83 H new ATOM 56 N PHE A 4 4.535 -7.262 2.518 1.00 4.55 N ATOM 57 CA PHE A 4 3.292 -7.848 2.920 1.00 4.68 C ATOM 58 C PHE A 4 2.369 -6.658 2.957 1.00 5.30 C ATOM 59 O PHE A 4 2.740 -5.616 3.504 1.00 5.58 O ATOM 60 CB PHE A 4 3.393 -8.521 4.285 1.00 4.83 C ATOM 61 CG PHE A 4 4.431 -9.577 4.253 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.529 -10.597 3.302 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.386 -9.626 5.243 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.429 -11.618 3.361 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.437 -10.579 5.282 1.00 10.61 C ATOM 66 CZ PHE A 4 6.407 -11.581 4.410 1.00 8.90 C ATOM 0 H PHE A 4 4.951 -6.626 3.199 1.00 4.55 H new ATOM 0 HA PHE A 4 2.956 -8.641 2.252 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.638 -7.781 5.047 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.431 -8.954 4.559 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.846 -10.574 2.465 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.332 -8.896 6.037 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.407 -12.426 2.644 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.239 -10.492 6.000 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.130 -12.379 4.492 1.00 8.90 H new ATOM 76 N VAL A 5 1.135 -6.856 2.569 1.00 4.44 N ATOM 77 CA VAL A 5 0.069 -5.976 2.821 1.00 3.87 C ATOM 78 C VAL A 5 -0.897 -6.593 3.710 1.00 4.93 C ATOM 79 O VAL A 5 -1.529 -7.616 3.353 1.00 6.84 O ATOM 80 CB VAL A 5 -0.596 -5.356 1.540 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.916 -4.640 1.974 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.419 -4.397 0.878 1.00 9.13 C ATOM 0 H VAL A 5 0.853 -7.683 2.043 1.00 4.44 H new ATOM 0 HA VAL A 5 0.504 -5.112 3.323 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.857 -6.115 0.802 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.396 -4.201 1.100 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.589 -5.365 2.432 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.684 -3.855 2.693 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.025 -3.956 -0.014 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.684 -3.606 1.580 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.316 -4.951 0.601 1.00 9.13 H new ATOM 92 N LYS A 6 -1.150 -5.984 4.901 1.00 6.04 N ATOM 93 CA LYS A 6 -2.002 -6.493 5.986 1.00 6.12 C ATOM 94 C LYS A 6 -3.215 -5.625 6.045 1.00 6.57 C ATOM 95 O LYS A 6 -3.136 -4.417 6.021 1.00 5.76 O ATOM 96 CB LYS A 6 -1.218 -6.346 7.253 1.00 7.45 C ATOM 97 CG LYS A 6 -1.803 -7.146 8.447 1.00 11.12 C ATOM 98 CD LYS A 6 -0.901 -7.027 9.688 1.00 14.54 C ATOM 99 CE LYS A 6 -1.330 -7.836 10.913 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.421 -7.673 11.998 1.00 20.55 N ATOM 0 H LYS A 6 -0.739 -5.079 5.131 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.296 -7.532 5.836 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.194 -6.673 7.076 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.174 -5.291 7.522 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.801 -6.777 8.682 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.909 -8.195 8.169 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.107 -7.334 9.410 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.847 -5.976 9.973 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.327 -7.524 11.224 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.394 -8.891 10.648 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.745 -8.236 12.810 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.525 -7.994 11.709 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.379 -6.669 12.268 1.00 20.55 H new ATOM 114 N THR A 7 -4.400 -6.317 6.024 1.00 7.41 N ATOM 115 CA THR A 7 -5.748 -5.715 5.983 1.00 7.48 C ATOM 116 C THR A 7 -6.334 -5.510 7.365 1.00 8.75 C ATOM 117 O THR A 7 -5.812 -6.011 8.293 1.00 8.58 O ATOM 118 CB THR A 7 -6.729 -6.427 5.036 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.363 -7.522 5.713 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.011 -7.056 3.839 1.00 9.17 C ATOM 0 H THR A 7 -4.428 -7.337 6.036 1.00 7.41 H new ATOM 0 HA THR A 7 -5.598 -4.727 5.547 1.00 7.48 H new ATOM 0 HB THR A 7 -7.439 -5.667 4.710 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.987 -7.967 5.102 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.740 -7.549 3.195 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.495 -6.279 3.275 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.286 -7.789 4.193 1.00 9.17 H new ATOM 128 N LEU A 8 -7.411 -4.729 7.455 1.00 9.84 N ATOM 129 CA LEU A 8 -8.135 -4.529 8.724 1.00 14.15 C ATOM 130 C LEU A 8 -8.808 -5.803 9.195 1.00 17.37 C ATOM 131 O LEU A 8 -8.821 -6.071 10.410 1.00 17.01 O ATOM 132 CB LEU A 8 -9.256 -3.429 8.449 1.00 16.63 C ATOM 133 CG LEU A 8 -8.719 -2.019 8.319 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.778 -1.093 7.721 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.076 -1.452 9.634 1.00 18.59 C ATOM 0 H LEU A 8 -7.807 -4.220 6.665 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.432 -4.222 9.498 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.789 -3.689 7.534 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.983 -3.456 9.260 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.883 -2.066 7.621 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.373 -0.085 7.636 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.062 -1.455 6.733 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.655 -1.078 8.368 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.717 -0.439 9.456 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.823 -1.438 10.427 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.241 -2.086 9.933 1.00 18.59 H new ATOM 147 N THR A 9 -9.347 -6.610 8.320 1.00 18.33 N ATOM 148 CA THR A 9 -10.092 -7.746 8.736 1.00 19.24 C ATOM 149 C THR A 9 -9.230 -8.990 8.823 1.00 19.48 C ATOM 150 O THR A 9 -9.629 -10.083 9.176 1.00 23.14 O ATOM 151 CB THR A 9 -11.327 -8.079 7.935 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.011 -8.154 6.494 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.327 -6.912 8.199 1.00 19.70 C ATOM 0 H THR A 9 -9.277 -6.492 7.309 1.00 18.33 H new ATOM 0 HA THR A 9 -10.445 -7.436 9.720 1.00 19.24 H new ATOM 0 HB THR A 9 -11.739 -9.046 8.225 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.824 -8.373 5.992 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.249 -7.091 7.646 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.549 -6.857 9.265 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.884 -5.972 7.871 1.00 19.70 H new ATOM 161 N GLY A 10 -7.914 -8.801 8.505 1.00 19.43 N ATOM 162 CA GLY A 10 -6.780 -9.639 9.016 1.00 18.74 C ATOM 163 C GLY A 10 -6.148 -10.632 8.086 1.00 17.62 C ATOM 164 O GLY A 10 -5.324 -11.433 8.441 1.00 19.74 O ATOM 0 H GLY A 10 -7.606 -8.056 7.881 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.997 -8.963 9.361 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.138 -10.184 9.889 1.00 18.74 H new ATOM 168 N LYS A 11 -6.562 -10.605 6.799 1.00 13.56 N ATOM 169 CA LYS A 11 -5.726 -11.189 5.702 1.00 11.91 C ATOM 170 C LYS A 11 -4.342 -10.559 5.558 1.00 10.18 C ATOM 171 O LYS A 11 -4.094 -9.412 5.992 1.00 9.10 O ATOM 172 CB LYS A 11 -6.453 -10.905 4.374 1.00 13.43 C ATOM 173 CG LYS A 11 -5.935 -11.807 3.192 1.00 16.69 C ATOM 174 CD LYS A 11 -6.711 -11.449 1.884 1.00 17.92 C ATOM 175 CE LYS A 11 -6.741 -12.660 0.869 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.496 -12.250 -0.323 1.00 21.93 N ATOM 0 H LYS A 11 -7.445 -10.199 6.490 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.593 -12.244 5.941 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.522 -11.068 4.508 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.321 -9.856 4.110 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.866 -11.655 3.046 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.077 -12.860 3.435 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.732 -11.159 2.135 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.243 -10.587 1.408 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.727 -12.949 0.594 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.206 -13.530 1.331 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.774 -13.093 -0.865 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.348 -11.729 -0.032 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.901 -11.638 -0.917 1.00 21.93 H new ATOM 190 N THR A 12 -3.341 -11.272 4.952 1.00 9.63 N ATOM 191 CA THR A 12 -1.990 -10.769 4.771 1.00 9.85 C ATOM 192 C THR A 12 -1.513 -11.213 3.427 1.00 11.66 C ATOM 193 O THR A 12 -1.124 -12.370 3.325 1.00 12.33 O ATOM 194 CB THR A 12 -0.958 -11.223 5.778 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.525 -10.968 7.104 1.00 10.91 O ATOM 196 CG2 THR A 12 0.367 -10.468 5.631 1.00 9.63 C ATOM 0 H THR A 12 -3.476 -12.213 4.583 1.00 9.63 H new ATOM 0 HA THR A 12 -2.073 -9.689 4.896 1.00 9.85 H new ATOM 0 HB THR A 12 -0.734 -12.278 5.622 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.887 -11.250 7.792 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.076 -10.829 6.376 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.772 -10.635 4.633 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.197 -9.402 5.779 1.00 9.63 H new ATOM 204 N ILE A 13 -1.594 -10.316 2.374 1.00 10.42 N ATOM 205 CA ILE A 13 -1.161 -10.694 1.041 1.00 11.84 C ATOM 206 C ILE A 13 0.281 -10.299 0.813 1.00 10.55 C ATOM 207 O ILE A 13 0.803 -9.389 1.468 1.00 11.92 O ATOM 208 CB ILE A 13 -2.068 -10.179 -0.125 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.101 -8.630 -0.157 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.489 -10.683 0.227 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.216 -7.883 -0.969 1.00 16.46 C ATOM 0 H ILE A 13 -1.949 -9.363 2.455 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.257 -11.779 1.013 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.703 -10.529 -1.091 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.167 -8.286 0.875 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.139 -8.294 -0.544 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.190 -10.363 -0.544 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.485 -11.771 0.285 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.794 -10.270 1.188 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.076 -6.806 -0.873 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.152 -8.165 -2.020 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.196 -8.158 -0.579 1.00 16.46 H new ATOM 223 N THR A 14 1.015 -11.063 0.045 1.00 9.39 N ATOM 224 CA THR A 14 2.473 -10.796 -0.262 1.00 9.63 C ATOM 225 C THR A 14 2.583 -10.366 -1.726 1.00 11.20 C ATOM 226 O THR A 14 2.079 -11.018 -2.629 1.00 11.63 O ATOM 227 CB THR A 14 3.356 -12.030 -0.074 1.00 10.38 C ATOM 228 OG1 THR A 14 3.138 -12.539 1.261 1.00 16.30 O ATOM 229 CG2 THR A 14 4.858 -11.663 -0.266 1.00 11.66 C ATOM 0 H THR A 14 0.653 -11.903 -0.407 1.00 9.39 H new ATOM 0 HA THR A 14 2.817 -10.027 0.429 1.00 9.63 H new ATOM 0 HB THR A 14 3.098 -12.786 -0.816 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.841 -12.205 1.857 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.471 -12.554 -0.128 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.011 -11.269 -1.271 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.145 -10.909 0.467 1.00 11.66 H new ATOM 237 N LEU A 15 3.275 -9.246 -1.926 1.00 8.29 N ATOM 238 CA LEU A 15 3.374 -8.597 -3.173 1.00 9.03 C ATOM 239 C LEU A 15 4.848 -8.264 -3.541 1.00 8.59 C ATOM 240 O LEU A 15 5.717 -8.118 -2.693 1.00 7.79 O ATOM 241 CB LEU A 15 2.723 -7.212 -2.896 1.00 11.08 C ATOM 242 CG LEU A 15 1.222 -7.248 -2.680 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.735 -5.769 -2.471 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.372 -7.915 -3.769 1.00 15.27 C ATOM 0 H LEU A 15 3.788 -8.773 -1.182 1.00 8.29 H new ATOM 0 HA LEU A 15 2.937 -9.211 -3.960 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.193 -6.775 -2.015 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.940 -6.550 -3.734 1.00 11.08 H new ATOM 0 HG LEU A 15 1.070 -7.889 -1.811 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.343 -5.760 -2.313 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.233 -5.341 -1.601 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.977 -5.178 -3.354 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.680 -7.871 -3.487 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.517 -7.393 -4.715 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.674 -8.956 -3.880 1.00 15.27 H new ATOM 256 N GLU A 16 5.153 -8.200 -4.855 1.00 11.04 N ATOM 257 CA GLU A 16 6.516 -8.233 -5.384 1.00 11.50 C ATOM 258 C GLU A 16 6.759 -6.923 -5.958 1.00 10.13 C ATOM 259 O GLU A 16 6.145 -6.418 -6.931 1.00 9.83 O ATOM 260 CB GLU A 16 6.727 -9.415 -6.349 1.00 17.22 C ATOM 261 CG GLU A 16 8.181 -9.600 -6.822 1.00 23.33 C ATOM 262 CD GLU A 16 8.422 -10.959 -7.332 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.844 -11.369 -8.398 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.109 -11.768 -6.668 1.00 28.86 O ATOM 0 H GLU A 16 4.442 -8.123 -5.582 1.00 11.04 H new ATOM 0 HA GLU A 16 7.256 -8.420 -4.606 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.398 -10.331 -5.859 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.089 -9.274 -7.222 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.404 -8.874 -7.604 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.861 -9.397 -5.995 1.00 23.33 H new ATOM 271 N VAL A 17 7.707 -6.156 -5.343 1.00 8.99 N ATOM 272 CA VAL A 17 7.861 -4.741 -5.574 1.00 8.85 C ATOM 273 C VAL A 17 9.337 -4.529 -5.666 1.00 8.04 C ATOM 274 O VAL A 17 10.099 -5.337 -5.217 1.00 8.99 O ATOM 275 CB VAL A 17 7.357 -3.901 -4.421 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.816 -3.685 -4.510 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.715 -4.596 -3.117 1.00 10.54 C ATOM 0 H VAL A 17 8.377 -6.534 -4.673 1.00 8.99 H new ATOM 0 HA VAL A 17 7.297 -4.449 -6.460 1.00 8.85 H new ATOM 0 HB VAL A 17 7.829 -2.919 -4.464 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.484 -3.078 -3.668 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.573 -3.175 -5.442 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.311 -4.651 -4.482 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.357 -4.000 -2.277 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.248 -5.580 -3.089 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.797 -4.706 -3.049 1.00 10.54 H new ATOM 287 N GLU A 18 9.766 -3.418 -6.243 1.00 7.29 N ATOM 288 CA GLU A 18 11.120 -2.859 -6.034 1.00 7.08 C ATOM 289 C GLU A 18 11.075 -1.711 -5.102 1.00 6.45 C ATOM 290 O GLU A 18 9.979 -1.168 -4.946 1.00 5.28 O ATOM 291 CB GLU A 18 11.710 -2.460 -7.298 1.00 10.28 C ATOM 292 CG GLU A 18 12.117 -3.547 -8.317 1.00 12.65 C ATOM 293 CD GLU A 18 13.041 -4.574 -7.712 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.010 -4.145 -7.034 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.953 -5.802 -7.949 1.00 14.33 O ATOM 0 H GLU A 18 9.190 -2.864 -6.877 1.00 7.29 H new ATOM 0 HA GLU A 18 11.743 -3.637 -5.592 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.004 -1.794 -7.794 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.600 -1.872 -7.073 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.223 -4.042 -8.695 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.606 -3.078 -9.171 1.00 12.65 H new ATOM 302 N PRO A 19 12.112 -1.262 -4.369 1.00 7.24 N ATOM 303 CA PRO A 19 12.053 -0.014 -3.485 1.00 7.07 C ATOM 304 C PRO A 19 11.716 1.277 -4.280 1.00 6.65 C ATOM 305 O PRO A 19 11.277 2.232 -3.708 1.00 6.37 O ATOM 306 CB PRO A 19 13.390 0.060 -2.776 1.00 7.61 C ATOM 307 CG PRO A 19 14.326 -0.824 -3.674 1.00 8.16 C ATOM 308 CD PRO A 19 13.409 -1.907 -4.201 1.00 7.49 C ATOM 0 HA PRO A 19 11.238 -0.089 -2.765 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.752 1.086 -2.706 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.327 -0.326 -1.759 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.766 -0.244 -4.485 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.151 -1.244 -3.099 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.775 -2.307 -5.146 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.346 -2.743 -3.504 1.00 7.49 H new ATOM 316 N SER A 20 11.902 1.227 -5.616 1.00 6.80 N ATOM 317 CA SER A 20 11.769 2.321 -6.506 1.00 6.28 C ATOM 318 C SER A 20 10.321 2.449 -6.901 1.00 8.45 C ATOM 319 O SER A 20 9.891 3.487 -7.508 1.00 7.26 O ATOM 320 CB SER A 20 12.675 2.061 -7.775 1.00 8.57 C ATOM 321 OG SER A 20 12.416 0.767 -8.365 1.00 11.13 O ATOM 0 H SER A 20 12.161 0.363 -6.093 1.00 6.80 H new ATOM 0 HA SER A 20 12.089 3.248 -6.031 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.495 2.840 -8.516 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.725 2.127 -7.491 1.00 8.57 H new ATOM 0 HG SER A 20 12.993 0.643 -9.147 1.00 11.13 H new ATOM 327 N ASP A 21 9.395 1.439 -6.613 1.00 7.50 N ATOM 328 CA ASP A 21 8.016 1.433 -6.898 1.00 7.70 C ATOM 329 C ASP A 21 7.293 2.510 -6.050 1.00 7.08 C ATOM 330 O ASP A 21 7.533 2.686 -4.844 1.00 8.11 O ATOM 331 CB ASP A 21 7.380 0.074 -6.747 1.00 11.00 C ATOM 332 CG ASP A 21 7.746 -0.787 -7.891 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.130 -0.281 -8.957 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.487 -1.976 -7.721 1.00 18.03 O ATOM 0 H ASP A 21 9.685 0.581 -6.144 1.00 7.50 H new ATOM 0 HA ASP A 21 7.903 1.684 -7.953 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.707 -0.388 -5.815 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.296 0.175 -6.690 1.00 11.00 H new ATOM 339 N THR A 22 6.304 3.144 -6.681 1.00 5.37 N ATOM 340 CA THR A 22 5.377 4.157 -6.064 1.00 6.01 C ATOM 341 C THR A 22 4.291 3.546 -5.348 1.00 8.01 C ATOM 342 O THR A 22 3.837 2.480 -5.682 1.00 8.11 O ATOM 343 CB THR A 22 4.775 5.189 -7.038 1.00 8.92 C ATOM 344 OG1 THR A 22 4.267 4.629 -8.235 1.00 10.22 O ATOM 345 CG2 THR A 22 5.815 6.282 -7.482 1.00 9.65 C ATOM 0 H THR A 22 6.100 2.978 -7.667 1.00 5.37 H new ATOM 0 HA THR A 22 6.040 4.693 -5.385 1.00 6.01 H new ATOM 0 HB THR A 22 3.962 5.623 -6.456 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.901 5.341 -8.800 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.337 6.982 -8.167 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.174 6.820 -6.605 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.656 5.802 -7.982 1.00 9.65 H new ATOM 353 N ILE A 23 3.719 4.343 -4.408 1.00 8.32 N ATOM 354 CA ILE A 23 2.474 4.026 -3.689 1.00 9.92 C ATOM 355 C ILE A 23 1.390 3.751 -4.626 1.00 10.01 C ATOM 356 O ILE A 23 0.669 2.783 -4.489 1.00 8.71 O ATOM 357 CB ILE A 23 2.104 5.020 -2.598 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.277 5.310 -1.654 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.864 4.552 -1.850 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.691 4.087 -0.787 1.00 12.30 C ATOM 0 H ILE A 23 4.123 5.237 -4.130 1.00 8.32 H new ATOM 0 HA ILE A 23 2.663 3.109 -3.131 1.00 9.92 H new ATOM 0 HB ILE A 23 1.866 5.969 -3.078 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.135 5.636 -2.242 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.009 6.137 -0.997 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.613 5.274 -1.073 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.030 4.464 -2.547 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.059 3.582 -1.394 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.526 4.363 -0.143 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.847 3.774 -0.172 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.991 3.265 -1.437 1.00 12.30 H new ATOM 372 N GLU A 24 1.306 4.524 -5.716 1.00 9.54 N ATOM 373 CA GLU A 24 0.404 4.228 -6.808 1.00 11.81 C ATOM 374 C GLU A 24 0.528 2.824 -7.469 1.00 11.14 C ATOM 375 O GLU A 24 -0.506 2.154 -7.705 1.00 10.62 O ATOM 376 CB GLU A 24 0.386 5.310 -7.901 1.00 19.24 C ATOM 377 CG GLU A 24 -0.592 5.177 -9.073 1.00 27.76 C ATOM 378 CD GLU A 24 -0.305 6.369 -9.947 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.885 6.571 -10.387 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.243 7.087 -10.321 1.00 36.51 O ATOM 0 H GLU A 24 1.864 5.366 -5.854 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.551 4.219 -6.282 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.185 6.264 -7.414 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.391 5.370 -8.318 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.438 4.243 -9.614 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.626 5.179 -8.728 1.00 27.76 H new ATOM 387 N ASN A 25 1.725 2.210 -7.748 1.00 9.43 N ATOM 388 CA ASN A 25 1.888 0.838 -8.192 1.00 10.96 C ATOM 389 C ASN A 25 1.401 -0.213 -7.264 1.00 9.68 C ATOM 390 O ASN A 25 0.652 -1.094 -7.570 1.00 9.33 O ATOM 391 CB ASN A 25 3.397 0.523 -8.519 1.00 16.78 C ATOM 392 CG ASN A 25 3.517 -0.633 -9.509 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.659 -0.921 -10.319 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.761 -1.315 -9.511 1.00 24.70 N ATOM 0 H ASN A 25 2.615 2.699 -7.657 1.00 9.43 H new ATOM 0 HA ASN A 25 1.255 0.792 -9.078 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.875 1.411 -8.933 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.927 0.275 -7.600 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.938 -2.051 -10.195 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.478 -1.069 -8.829 1.00 24.70 H new ATOM 401 N VAL A 26 1.756 0.015 -5.959 1.00 6.52 N ATOM 402 CA VAL A 26 1.203 -0.819 -4.863 1.00 5.53 C ATOM 403 C VAL A 26 -0.365 -0.826 -4.718 1.00 4.42 C ATOM 404 O VAL A 26 -1.001 -1.884 -4.695 1.00 3.40 O ATOM 405 CB VAL A 26 1.911 -0.635 -3.530 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.419 -1.699 -2.523 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.441 -0.882 -3.748 1.00 8.12 C ATOM 0 H VAL A 26 2.401 0.745 -5.657 1.00 6.52 H new ATOM 0 HA VAL A 26 1.437 -1.827 -5.205 1.00 5.53 H new ATOM 0 HB VAL A 26 1.710 0.368 -3.152 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.930 -1.562 -1.570 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.344 -1.592 -2.377 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.635 -2.694 -2.911 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.968 -0.755 -2.803 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.597 -1.896 -4.117 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.825 -0.168 -4.476 1.00 8.12 H new ATOM 417 N LYS A 27 -1.054 0.344 -4.783 1.00 2.64 N ATOM 418 CA LYS A 27 -2.475 0.396 -4.927 1.00 4.14 C ATOM 419 C LYS A 27 -2.954 -0.380 -6.239 1.00 5.58 C ATOM 420 O LYS A 27 -3.999 -0.961 -6.170 1.00 4.11 O ATOM 421 CB LYS A 27 -3.071 1.735 -4.904 1.00 3.97 C ATOM 422 CG LYS A 27 -2.754 2.447 -3.554 1.00 7.45 C ATOM 423 CD LYS A 27 -3.340 3.848 -3.462 1.00 9.02 C ATOM 424 CE LYS A 27 -3.015 4.693 -2.240 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.978 5.831 -1.975 1.00 15.47 N ATOM 0 H LYS A 27 -0.610 1.261 -4.734 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.842 -0.102 -4.030 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.326 -5.734 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.150 1.662 -5.040 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.141 1.844 -2.733 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.673 2.503 -3.426 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.015 4.401 -4.343 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.425 3.758 -3.524 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.992 4.045 -1.364 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.013 5.105 -2.358 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.490 6.584 -1.449 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.325 6.210 -2.879 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.782 5.482 -1.415 1.00 15.47 H new ATOM 439 N ALA A 28 -2.209 -0.330 -7.354 1.00 6.61 N ATOM 440 CA ALA A 28 -2.414 -1.098 -8.563 1.00 7.74 C ATOM 441 C ALA A 28 -2.368 -2.633 -8.296 1.00 9.17 C ATOM 442 O ALA A 28 -3.239 -3.374 -8.778 1.00 11.45 O ATOM 443 CB ALA A 28 -1.448 -0.588 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.402 0.289 -7.426 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.424 -0.938 -8.940 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.601 -1.165 -10.580 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.647 0.465 -9.868 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.417 -0.705 -9.333 1.00 7.68 H new ATOM 449 N LYS A 29 -1.417 -3.143 -7.508 1.00 8.96 N ATOM 450 CA LYS A 29 -1.309 -4.529 -7.000 1.00 7.90 C ATOM 451 C LYS A 29 -2.397 -4.963 -6.064 1.00 6.92 C ATOM 452 O LYS A 29 -2.892 -6.048 -6.173 1.00 6.87 O ATOM 453 CB LYS A 29 0.039 -4.816 -6.202 1.00 10.28 C ATOM 454 CG LYS A 29 1.173 -4.702 -7.260 1.00 14.94 C ATOM 455 CD LYS A 29 2.572 -4.501 -6.668 1.00 19.69 C ATOM 456 CE LYS A 29 3.672 -4.542 -7.765 1.00 22.63 C ATOM 457 NZ LYS A 29 3.623 -5.837 -8.481 1.00 24.98 N ATOM 0 H LYS A 29 -0.644 -2.564 -7.181 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.366 -5.087 -7.935 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.180 -4.096 -5.395 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.024 -5.806 -5.747 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.176 -5.605 -7.870 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.950 -3.868 -7.926 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.613 -3.544 -6.147 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.768 -5.276 -5.927 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.527 -3.722 -8.468 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.654 -4.404 -7.313 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.586 -6.218 -8.576 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.036 -6.508 -7.945 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.212 -5.696 -9.426 1.00 24.98 H new ATOM 471 N ILE A 30 -2.714 -4.174 -5.160 1.00 4.57 N ATOM 472 CA ILE A 30 -3.893 -4.348 -4.289 1.00 5.58 C ATOM 473 C ILE A 30 -5.173 -4.358 -5.038 1.00 7.26 C ATOM 474 O ILE A 30 -6.071 -5.148 -4.780 1.00 9.46 O ATOM 475 CB ILE A 30 -3.881 -3.404 -3.111 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.662 -3.561 -2.125 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.144 -3.633 -2.225 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.627 -2.401 -1.100 1.00 2.00 C ATOM 0 H ILE A 30 -2.176 -3.334 -4.948 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.816 -5.348 -3.862 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.831 -2.420 -3.578 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.734 -4.513 -1.600 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.731 -3.579 -2.692 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.124 -2.946 -1.379 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.041 -3.453 -2.817 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.151 -4.660 -1.859 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.777 -2.532 -0.431 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.530 -1.452 -1.628 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.549 -2.401 -0.519 1.00 2.00 H new ATOM 490 N GLN A 31 -5.295 -3.484 -6.069 1.00 7.06 N ATOM 491 CA GLN A 31 -6.398 -3.484 -7.007 1.00 8.67 C ATOM 492 C GLN A 31 -6.611 -4.793 -7.669 1.00 10.90 C ATOM 493 O GLN A 31 -7.710 -5.310 -7.808 1.00 9.63 O ATOM 494 CB GLN A 31 -6.347 -2.352 -8.066 1.00 9.12 C ATOM 495 CG GLN A 31 -7.506 -2.379 -9.118 1.00 10.76 C ATOM 496 CD GLN A 31 -7.718 -1.027 -9.857 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.837 -0.186 -9.970 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.953 -0.781 -10.317 1.00 14.76 N ATOM 0 H GLN A 31 -4.607 -2.755 -6.257 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.259 -3.281 -6.370 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.366 -1.392 -7.551 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.395 -2.411 -8.594 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.297 -3.155 -9.854 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.433 -2.657 -8.616 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.683 -1.486 -10.220 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.162 0.112 -10.764 1.00 14.76 H new ATOM 507 N ASP A 32 -5.513 -5.340 -8.164 1.00 10.93 N ATOM 508 CA ASP A 32 -5.458 -6.658 -8.730 1.00 14.01 C ATOM 509 C ASP A 32 -5.815 -7.850 -7.777 1.00 14.04 C ATOM 510 O ASP A 32 -6.628 -8.746 -8.109 1.00 13.39 O ATOM 511 CB ASP A 32 -4.093 -6.758 -9.288 1.00 18.01 C ATOM 512 CG ASP A 32 -3.950 -7.800 -10.293 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.641 -7.664 -11.289 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.075 -8.700 -10.120 1.00 25.17 O ATOM 0 H ASP A 32 -4.615 -4.857 -8.179 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.244 -6.766 -9.477 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.818 -5.800 -9.729 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.391 -6.949 -8.476 1.00 18.01 H new ATOM 519 N LYS A 33 -5.283 -7.916 -6.575 1.00 14.22 N ATOM 520 CA LYS A 33 -5.530 -8.953 -5.564 1.00 14.00 C ATOM 521 C LYS A 33 -6.907 -8.989 -4.971 1.00 12.37 C ATOM 522 O LYS A 33 -7.600 -9.989 -4.955 1.00 12.17 O ATOM 523 CB LYS A 33 -4.457 -8.813 -4.468 1.00 18.62 C ATOM 524 CG LYS A 33 -3.005 -9.237 -4.828 1.00 24.00 C ATOM 525 CD LYS A 33 -2.900 -10.748 -5.058 1.00 27.61 C ATOM 526 CE LYS A 33 -1.372 -11.049 -5.349 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.170 -12.363 -5.972 1.00 30.06 N ATOM 0 H LYS A 33 -4.625 -7.210 -6.246 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.464 -9.909 -6.083 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.434 -7.771 -4.150 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.776 -9.401 -3.608 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.683 -8.708 -5.725 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.330 -8.943 -4.025 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.245 -11.299 -4.183 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.524 -11.058 -5.896 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.970 -10.274 -6.002 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.811 -11.002 -4.416 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.155 -12.514 -6.143 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.529 -13.106 -5.339 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.683 -12.401 -6.876 1.00 30.06 H new ATOM 541 N GLU A 34 -7.360 -7.821 -4.567 1.00 10.11 N ATOM 542 CA GLU A 34 -8.570 -7.791 -3.804 1.00 10.07 C ATOM 543 C GLU A 34 -9.704 -7.071 -4.477 1.00 9.32 C ATOM 544 O GLU A 34 -10.833 -7.068 -3.992 1.00 11.61 O ATOM 545 CB GLU A 34 -8.179 -7.041 -2.537 1.00 14.77 C ATOM 546 CG GLU A 34 -6.999 -7.720 -1.732 1.00 18.75 C ATOM 547 CD GLU A 34 -7.432 -9.076 -1.210 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.376 -9.207 -0.401 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.765 -10.066 -1.659 1.00 25.19 O ATOM 0 H GLU A 34 -6.923 -6.918 -4.749 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.940 -8.804 -3.645 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.888 -6.025 -2.803 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.051 -6.963 -1.888 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.127 -7.832 -2.376 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.701 -7.081 -0.901 1.00 18.75 H new ATOM 556 N GLY A 35 -9.474 -6.549 -5.698 1.00 7.22 N ATOM 557 CA GLY A 35 -10.539 -5.875 -6.405 1.00 6.29 C ATOM 558 C GLY A 35 -10.943 -4.551 -5.816 1.00 6.93 C ATOM 559 O GLY A 35 -12.154 -4.192 -5.944 1.00 7.41 O ATOM 0 H GLY A 35 -8.581 -6.587 -6.190 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.229 -5.719 -7.438 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.411 -6.528 -6.429 1.00 6.29 H new ATOM 563 N ILE A 36 -9.979 -3.777 -5.198 1.00 5.86 N ATOM 564 CA ILE A 36 -10.262 -2.456 -4.676 1.00 6.07 C ATOM 565 C ILE A 36 -9.842 -1.303 -5.613 1.00 6.36 C ATOM 566 O ILE A 36 -8.654 -1.155 -5.859 1.00 6.18 O ATOM 567 CB ILE A 36 -9.690 -2.271 -3.253 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.750 -3.648 -2.419 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.434 -1.155 -2.568 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.266 -3.599 -0.977 1.00 9.49 C ATOM 0 H ILE A 36 -9.013 -4.077 -5.068 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.349 -2.397 -4.616 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.636 -1.998 -3.313 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.781 -4.001 -2.419 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.158 -4.393 -2.951 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.037 -1.017 -1.562 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.311 -0.233 -3.136 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.493 -1.406 -2.509 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.358 -4.588 -0.528 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.222 -3.286 -0.954 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.870 -2.888 -0.414 1.00 9.49 H new ATOM 582 N PRO A 37 -10.719 -0.434 -6.056 1.00 8.65 N ATOM 583 CA PRO A 37 -10.402 0.849 -6.474 1.00 9.18 C ATOM 584 C PRO A 37 -9.364 1.626 -5.638 1.00 9.85 C ATOM 585 O PRO A 37 -9.585 1.804 -4.437 1.00 8.51 O ATOM 586 CB PRO A 37 -11.757 1.581 -6.622 1.00 11.42 C ATOM 587 CG PRO A 37 -12.775 0.489 -6.887 1.00 9.27 C ATOM 588 CD PRO A 37 -12.183 -0.689 -6.118 1.00 8.33 C ATOM 0 HA PRO A 37 -9.858 0.785 -7.416 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.004 2.138 -5.718 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.729 2.299 -7.441 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.766 0.758 -6.522 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.875 0.273 -7.951 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.611 -0.759 -5.118 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.395 -1.632 -6.622 1.00 8.33 H new ATOM 596 N PRO A 38 -8.254 2.207 -6.126 1.00 8.71 N ATOM 597 CA PRO A 38 -7.304 3.083 -5.499 1.00 9.08 C ATOM 598 C PRO A 38 -7.897 4.267 -4.706 1.00 9.28 C ATOM 599 O PRO A 38 -7.312 4.754 -3.730 1.00 6.50 O ATOM 600 CB PRO A 38 -6.340 3.480 -6.632 1.00 10.31 C ATOM 601 CG PRO A 38 -6.255 2.285 -7.489 1.00 10.81 C ATOM 602 CD PRO A 38 -7.659 1.696 -7.368 1.00 12.00 C ATOM 0 HA PRO A 38 -6.787 2.571 -4.687 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.715 4.339 -7.188 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.361 3.756 -6.240 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.009 2.541 -8.520 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.491 1.589 -7.142 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.267 1.978 -8.227 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.616 0.607 -7.351 1.00 12.00 H new ATOM 610 N ASP A 39 -9.104 4.732 -5.054 1.00 11.20 N ATOM 611 CA ASP A 39 -9.852 5.800 -4.329 1.00 14.96 C ATOM 612 C ASP A 39 -10.336 5.278 -3.043 1.00 13.99 C ATOM 613 O ASP A 39 -10.580 5.981 -2.075 1.00 13.75 O ATOM 614 CB ASP A 39 -11.108 6.231 -5.216 1.00 24.16 C ATOM 615 CG ASP A 39 -10.610 6.763 -6.472 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.045 7.864 -6.568 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.889 6.059 -7.468 1.00 34.22 O ATOM 0 H ASP A 39 -9.610 4.376 -5.865 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.197 6.653 -4.152 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.759 5.375 -5.396 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.704 6.980 -4.694 1.00 24.16 H new ATOM 622 N GLN A 40 -10.397 3.980 -2.876 1.00 11.60 N ATOM 623 CA GLN A 40 -10.886 3.386 -1.641 1.00 10.76 C ATOM 624 C GLN A 40 -9.805 2.725 -0.780 1.00 8.01 C ATOM 625 O GLN A 40 -10.069 2.134 0.257 1.00 8.96 O ATOM 626 CB GLN A 40 -11.992 2.378 -1.984 1.00 11.14 C ATOM 627 CG GLN A 40 -13.155 2.931 -2.831 1.00 14.85 C ATOM 628 CD GLN A 40 -14.300 1.899 -3.085 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.290 0.710 -2.639 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.285 2.266 -3.978 1.00 18.16 N ATOM 0 H GLN A 40 -10.113 3.303 -3.584 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.271 4.202 -1.029 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.543 1.540 -2.518 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.399 1.982 -1.054 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.572 3.805 -2.331 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.764 3.269 -3.791 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.310 3.216 -4.348 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.988 1.587 -4.269 1.00 18.16 H new ATOM 639 N GLN A 41 -8.596 2.969 -1.149 1.00 6.52 N ATOM 640 CA GLN A 41 -7.425 2.454 -0.484 1.00 3.87 C ATOM 641 C GLN A 41 -6.640 3.606 0.204 1.00 4.79 C ATOM 642 O GLN A 41 -5.913 4.403 -0.423 1.00 6.34 O ATOM 643 CB GLN A 41 -6.520 1.789 -1.550 1.00 4.20 C ATOM 644 CG GLN A 41 -7.110 0.561 -2.244 1.00 3.20 C ATOM 645 CD GLN A 41 -6.018 -0.051 -3.095 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.929 -0.209 -2.575 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.311 -0.431 -4.340 1.00 7.13 N ATOM 0 H GLN A 41 -8.375 3.555 -1.954 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.724 1.734 0.278 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.278 2.532 -2.310 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.582 1.500 -1.076 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.471 -0.158 -1.509 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.964 0.843 -2.860 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.245 -0.269 -4.716 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.601 -0.884 -4.915 1.00 7.13 H new ATOM 656 N ARG A 42 -6.664 3.693 1.537 1.00 5.73 N ATOM 657 CA ARG A 42 -5.635 4.349 2.300 1.00 6.97 C ATOM 658 C ARG A 42 -4.520 3.284 2.631 1.00 7.15 C ATOM 659 O ARG A 42 -4.723 2.258 3.246 1.00 7.33 O ATOM 660 CB ARG A 42 -6.004 4.910 3.658 1.00 13.23 C ATOM 661 CG ARG A 42 -6.988 6.045 3.542 1.00 21.27 C ATOM 662 CD ARG A 42 -6.847 7.050 4.712 1.00 26.14 C ATOM 663 NE ARG A 42 -7.955 8.045 4.599 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.911 9.095 3.809 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.798 9.458 3.090 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.933 9.923 3.699 1.00 36.39 N ATOM 0 H ARG A 42 -7.412 3.301 2.109 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.357 5.189 1.664 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.431 4.119 4.275 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.104 5.259 4.165 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.834 6.564 2.596 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.002 5.646 3.525 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.897 6.531 5.669 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.879 7.550 4.671 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.791 7.902 5.165 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.946 8.901 3.153 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.824 10.284 2.493 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.785 9.756 4.235 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.871 10.730 3.078 1.00 36.39 H new ATOM 680 N LEU A 43 -3.213 3.564 2.293 1.00 4.65 N ATOM 681 CA LEU A 43 -2.081 2.800 2.683 1.00 3.51 C ATOM 682 C LEU A 43 -1.401 3.540 3.863 1.00 5.56 C ATOM 683 O LEU A 43 -1.311 4.791 3.825 1.00 4.19 O ATOM 684 CB LEU A 43 -1.251 2.500 1.492 1.00 3.74 C ATOM 685 CG LEU A 43 -1.849 1.453 0.525 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.868 1.144 -0.573 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.283 0.173 1.282 1.00 6.41 C ATOM 0 H LEU A 43 -2.964 4.369 1.719 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.326 1.810 3.069 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.083 3.426 0.942 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.276 2.147 1.827 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.747 1.872 0.070 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.299 0.405 -1.249 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.643 2.055 -1.127 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.050 0.747 -0.140 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.700 -0.544 0.575 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.418 -0.267 1.778 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.037 0.429 2.026 1.00 6.41 H new ATOM 699 N ILE A 44 -0.969 2.786 4.933 1.00 4.58 N ATOM 700 CA ILE A 44 -0.342 3.240 6.142 1.00 5.55 C ATOM 701 C ILE A 44 0.927 2.449 6.235 1.00 5.46 C ATOM 702 O ILE A 44 0.900 1.241 5.998 1.00 6.04 O ATOM 703 CB ILE A 44 -1.218 2.981 7.425 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.594 3.728 7.332 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.450 3.223 8.729 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.527 5.202 7.818 1.00 13.90 C ATOM 0 H ILE A 44 -1.078 1.772 4.931 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.186 4.318 6.105 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.458 1.918 7.456 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.941 3.709 6.299 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.333 3.190 7.926 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.105 3.029 9.578 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.410 2.555 8.774 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.108 4.258 8.763 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.512 5.660 7.727 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.210 5.227 8.861 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.812 5.754 7.208 1.00 13.90 H new ATOM 718 N PHE A 45 2.080 3.036 6.634 1.00 6.75 N ATOM 719 CA PHE A 45 3.229 2.290 7.070 1.00 4.70 C ATOM 720 C PHE A 45 3.709 2.915 8.326 1.00 6.34 C ATOM 721 O PHE A 45 4.145 4.047 8.378 1.00 5.45 O ATOM 722 CB PHE A 45 4.322 2.229 5.986 1.00 5.51 C ATOM 723 CG PHE A 45 5.490 1.398 6.357 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.452 0.020 6.319 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.629 2.007 6.969 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.480 -0.776 6.864 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.655 1.201 7.521 1.00 6.64 C ATOM 728 CZ PHE A 45 7.664 -0.169 7.378 1.00 6.84 C ATOM 0 H PHE A 45 2.215 4.047 6.654 1.00 6.75 H new ATOM 0 HA PHE A 45 2.959 1.250 7.254 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.887 1.837 5.067 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.663 3.242 5.770 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.606 -0.466 5.856 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.708 3.083 7.011 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.371 -1.850 6.892 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.455 1.675 8.071 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.530 -0.758 7.643 1.00 6.84 H new ATOM 738 N ALA A 46 3.721 2.122 9.418 1.00 6.53 N ATOM 739 CA ALA A 46 4.304 2.474 10.715 1.00 7.15 C ATOM 740 C ALA A 46 3.638 3.678 11.411 1.00 9.00 C ATOM 741 O ALA A 46 4.210 4.595 12.000 1.00 11.15 O ATOM 742 CB ALA A 46 5.803 2.646 10.572 1.00 8.99 C ATOM 0 H ALA A 46 3.309 1.189 9.413 1.00 6.53 H new ATOM 0 HA ALA A 46 4.101 1.641 11.388 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.233 2.908 11.539 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.244 1.714 10.219 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.011 3.440 9.855 1.00 8.99 H new ATOM 748 N GLY A 47 2.267 3.736 11.312 1.00 9.35 N ATOM 749 CA GLY A 47 1.422 4.839 11.766 1.00 11.68 C ATOM 750 C GLY A 47 1.372 6.068 10.888 1.00 11.14 C ATOM 751 O GLY A 47 0.777 7.039 11.333 1.00 13.93 O ATOM 0 H GLY A 47 1.726 2.978 10.896 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.406 4.463 11.881 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.763 5.143 12.756 1.00 11.68 H new ATOM 755 N LYS A 48 1.881 6.017 9.685 1.00 10.47 N ATOM 756 CA LYS A 48 1.844 7.153 8.778 1.00 8.82 C ATOM 757 C LYS A 48 1.116 6.881 7.419 1.00 7.68 C ATOM 758 O LYS A 48 1.458 5.955 6.670 1.00 6.47 O ATOM 759 CB LYS A 48 3.301 7.641 8.449 1.00 9.74 C ATOM 760 CG LYS A 48 3.996 8.420 9.618 1.00 14.14 C ATOM 761 CD LYS A 48 3.295 9.772 9.875 1.00 16.32 C ATOM 762 CE LYS A 48 3.988 10.657 10.970 1.00 20.04 C ATOM 763 NZ LYS A 48 5.295 11.089 10.414 1.00 23.92 N ATOM 0 H LYS A 48 2.335 5.190 9.298 1.00 10.47 H new ATOM 0 HA LYS A 48 1.270 7.911 9.312 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.912 6.776 8.190 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.267 8.283 7.569 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.974 7.817 10.525 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.044 8.590 9.374 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.257 10.333 8.941 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.264 9.583 10.175 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.370 11.520 11.217 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.128 10.091 11.891 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.698 11.836 11.015 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.946 10.278 10.387 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.158 11.455 9.450 1.00 23.92 H new ATOM 777 N GLN A 49 0.106 7.715 7.067 1.00 8.89 N ATOM 778 CA GLN A 49 -0.507 7.738 5.767 1.00 7.18 C ATOM 779 C GLN A 49 0.404 7.975 4.546 1.00 8.23 C ATOM 780 O GLN A 49 1.202 8.900 4.601 1.00 9.70 O ATOM 781 CB GLN A 49 -1.716 8.667 5.670 1.00 11.67 C ATOM 782 CG GLN A 49 -2.712 8.770 6.794 1.00 15.82 C ATOM 783 CD GLN A 49 -3.725 9.882 6.535 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.255 10.941 6.164 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.031 9.720 6.671 1.00 20.67 N ATOM 0 H GLN A 49 -0.295 8.396 7.712 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.822 6.697 5.699 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.332 9.671 5.492 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.271 8.375 4.779 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.233 7.820 6.910 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.189 8.962 7.731 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -5.404 8.823 6.983 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.665 10.492 6.463 1.00 20.67 H new ATOM 794 N LEU A 50 0.285 7.177 3.470 1.00 6.51 N ATOM 795 CA LEU A 50 1.174 7.246 2.334 1.00 7.41 C ATOM 796 C LEU A 50 0.547 7.807 1.087 1.00 8.27 C ATOM 797 O LEU A 50 -0.611 7.677 0.727 1.00 8.34 O ATOM 798 CB LEU A 50 1.748 5.843 1.993 1.00 7.13 C ATOM 799 CG LEU A 50 2.139 5.138 3.240 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.505 3.706 2.884 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.369 5.747 3.991 1.00 9.11 C ATOM 0 H LEU A 50 -0.441 6.467 3.380 1.00 6.51 H new ATOM 0 HA LEU A 50 1.962 7.932 2.645 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.004 5.258 1.453 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.612 5.944 1.336 1.00 7.13 H new ATOM 0 HG LEU A 50 1.281 5.225 3.907 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.796 3.170 3.787 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.645 3.213 2.430 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.337 3.707 2.179 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.574 5.162 4.887 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.241 5.727 3.337 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.150 6.777 4.273 1.00 9.11 H new ATOM 813 N GLU A 51 1.386 8.501 0.349 1.00 9.43 N ATOM 814 CA GLU A 51 0.958 9.465 -0.673 1.00 11.90 C ATOM 815 C GLU A 51 1.387 8.900 -2.040 1.00 11.49 C ATOM 816 O GLU A 51 2.440 8.290 -2.183 1.00 9.88 O ATOM 817 CB GLU A 51 1.518 10.885 -0.575 1.00 16.56 C ATOM 818 CG GLU A 51 1.037 11.720 0.596 1.00 26.06 C ATOM 819 CD GLU A 51 0.996 13.215 0.427 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.048 13.807 0.115 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.097 13.812 0.494 1.00 33.44 O ATOM 0 H GLU A 51 2.399 8.419 0.434 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.117 9.574 -0.526 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.605 10.821 -0.525 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.272 11.414 -1.496 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.032 11.385 0.855 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.677 11.498 1.450 1.00 26.06 H new ATOM 828 N ASP A 52 0.492 8.929 -3.096 1.00 12.71 N ATOM 829 CA ASP A 52 0.424 8.062 -4.323 1.00 16.56 C ATOM 830 C ASP A 52 1.670 8.180 -5.185 1.00 15.83 C ATOM 831 O ASP A 52 2.136 7.158 -5.627 1.00 17.21 O ATOM 832 CB ASP A 52 -0.776 8.490 -5.145 1.00 21.05 C ATOM 833 CG ASP A 52 -2.103 8.355 -4.389 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.415 9.271 -3.587 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.737 7.296 -4.480 1.00 28.37 O ATOM 0 H ASP A 52 -0.259 9.619 -3.104 1.00 12.71 H new ATOM 0 HA ASP A 52 0.342 7.025 -3.998 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.645 9.527 -5.455 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.820 7.889 -6.053 1.00 21.05 H new ATOM 840 N GLY A 53 2.328 9.355 -5.264 1.00 15.00 N ATOM 841 CA GLY A 53 3.586 9.567 -6.016 1.00 11.77 C ATOM 842 C GLY A 53 4.771 9.485 -5.180 1.00 11.10 C ATOM 843 O GLY A 53 5.872 9.689 -5.721 1.00 11.25 O ATOM 0 H GLY A 53 1.995 10.200 -4.799 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.657 8.824 -6.810 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.555 10.545 -6.496 1.00 11.77 H new ATOM 847 N ARG A 54 4.745 9.081 -3.900 1.00 8.53 N ATOM 848 CA ARG A 54 5.945 8.783 -3.203 1.00 9.05 C ATOM 849 C ARG A 54 6.339 7.339 -3.430 1.00 8.96 C ATOM 850 O ARG A 54 5.576 6.512 -4.022 1.00 11.60 O ATOM 851 CB ARG A 54 5.788 9.152 -1.728 1.00 7.97 C ATOM 852 CG ARG A 54 5.444 10.648 -1.471 1.00 9.62 C ATOM 853 CD ARG A 54 6.520 11.503 -2.109 1.00 12.20 C ATOM 854 NE ARG A 54 6.521 12.845 -1.480 1.00 18.23 N ATOM 855 CZ ARG A 54 7.518 13.695 -1.623 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.464 13.576 -2.576 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.418 14.789 -0.900 1.00 23.38 N ATOM 0 H ARG A 54 3.893 8.962 -3.352 1.00 8.53 H new ATOM 0 HA ARG A 54 6.768 9.384 -3.590 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.004 8.532 -1.293 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.713 8.910 -1.205 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.468 10.890 -1.892 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.388 10.846 -0.401 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.495 11.031 -1.986 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.341 11.592 -3.181 1.00 12.20 H new ATOM 0 HE ARG A 54 5.719 13.122 -0.914 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.430 12.797 -3.234 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.214 14.265 -2.639 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.612 14.925 -0.290 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.146 15.501 -0.950 1.00 23.38 H new ATOM 871 N THR A 55 7.575 6.973 -3.081 1.00 9.05 N ATOM 872 CA THR A 55 8.065 5.589 -3.210 1.00 9.03 C ATOM 873 C THR A 55 8.085 4.776 -1.888 1.00 8.15 C ATOM 874 O THR A 55 8.084 5.284 -0.747 1.00 5.91 O ATOM 875 CB THR A 55 9.360 5.413 -3.993 1.00 11.15 C ATOM 876 OG1 THR A 55 10.487 5.973 -3.301 1.00 11.95 O ATOM 877 CG2 THR A 55 9.109 6.227 -5.270 1.00 11.71 C ATOM 0 H THR A 55 8.265 7.621 -2.702 1.00 9.05 H new ATOM 0 HA THR A 55 7.287 5.149 -3.834 1.00 9.03 H new ATOM 0 HB THR A 55 9.592 4.361 -4.159 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.387 6.946 -3.247 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.986 6.171 -5.915 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.245 5.822 -5.796 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.918 7.267 -5.007 1.00 11.71 H new ATOM 885 N LEU A 56 8.119 3.427 -1.894 1.00 6.91 N ATOM 886 CA LEU A 56 8.596 2.524 -0.898 1.00 8.29 C ATOM 887 C LEU A 56 9.884 2.926 -0.294 1.00 8.05 C ATOM 888 O LEU A 56 10.112 2.992 0.943 1.00 10.17 O ATOM 889 CB LEU A 56 8.656 1.048 -1.447 1.00 6.60 C ATOM 890 CG LEU A 56 7.370 0.441 -1.992 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.551 -0.979 -2.459 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.158 0.543 -1.037 1.00 8.64 C ATOM 0 H LEU A 56 7.766 2.915 -2.702 1.00 6.91 H new ATOM 0 HA LEU A 56 7.867 2.564 -0.089 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.404 1.015 -2.239 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.015 0.406 -0.643 1.00 6.60 H new ATOM 0 HG LEU A 56 7.135 1.063 -2.856 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.603 -1.361 -2.837 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.297 -1.009 -3.253 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.884 -1.597 -1.625 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.286 0.086 -1.505 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.384 0.023 -0.106 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.949 1.592 -0.826 1.00 8.64 H new ATOM 904 N SER A 57 10.879 3.406 -1.137 1.00 8.92 N ATOM 905 CA SER A 57 12.109 4.000 -0.590 1.00 9.00 C ATOM 906 C SER A 57 11.969 5.154 0.339 1.00 9.44 C ATOM 907 O SER A 57 12.641 5.213 1.388 1.00 10.91 O ATOM 908 CB SER A 57 13.104 4.413 -1.791 1.00 10.32 C ATOM 909 OG SER A 57 14.471 4.737 -1.308 1.00 13.59 O ATOM 0 H SER A 57 10.831 3.383 -2.156 1.00 8.92 H new ATOM 0 HA SER A 57 12.508 3.201 0.036 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.160 3.596 -2.510 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.694 5.274 -2.319 1.00 10.32 H new ATOM 0 HG SER A 57 15.038 4.980 -2.070 1.00 13.59 H new ATOM 915 N ASP A 58 11.163 6.170 -0.076 1.00 9.11 N ATOM 916 CA ASP A 58 10.904 7.423 0.640 1.00 7.91 C ATOM 917 C ASP A 58 10.375 7.208 2.037 1.00 9.12 C ATOM 918 O ASP A 58 10.535 8.055 2.943 1.00 8.61 O ATOM 919 CB ASP A 58 9.880 8.261 -0.143 1.00 8.41 C ATOM 920 CG ASP A 58 10.449 8.577 -1.478 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.517 9.252 -1.521 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.832 8.311 -2.537 1.00 11.70 O ATOM 0 H ASP A 58 10.659 6.122 -0.962 1.00 9.11 H new ATOM 0 HA ASP A 58 11.861 7.938 0.722 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.945 7.712 -0.251 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.650 9.179 0.397 1.00 8.41 H new ATOM 927 N TYR A 59 9.698 6.029 2.288 1.00 7.97 N ATOM 928 CA TYR A 59 9.067 5.698 3.568 1.00 8.45 C ATOM 929 C TYR A 59 9.860 4.765 4.462 1.00 10.98 C ATOM 930 O TYR A 59 9.513 4.464 5.640 1.00 12.95 O ATOM 931 CB TYR A 59 7.624 5.159 3.432 1.00 7.94 C ATOM 932 CG TYR A 59 6.709 6.229 2.895 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.266 7.256 3.758 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.220 6.137 1.604 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.410 8.241 3.263 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.384 7.161 1.115 1.00 6.52 C ATOM 937 CZ TYR A 59 4.974 8.212 1.950 1.00 6.76 C ATOM 938 OH TYR A 59 4.147 9.160 1.395 1.00 7.63 O ATOM 0 H TYR A 59 9.590 5.297 1.586 1.00 7.97 H new ATOM 0 HA TYR A 59 9.040 6.671 4.058 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.613 4.296 2.767 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.264 4.818 4.403 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.586 7.279 4.789 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.475 5.293 0.980 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.083 9.038 3.915 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.055 7.137 0.087 1.00 6.52 H new ATOM 0 HH TYR A 59 4.577 10.039 1.445 1.00 7.63 H new ATOM 948 N ASN A 60 10.995 4.278 3.918 1.00 12.38 N ATOM 949 CA ASN A 60 11.870 3.297 4.518 1.00 13.94 C ATOM 950 C ASN A 60 11.192 2.008 4.726 1.00 14.16 C ATOM 951 O ASN A 60 11.346 1.324 5.731 1.00 14.26 O ATOM 952 CB ASN A 60 12.713 3.711 5.715 1.00 19.23 C ATOM 953 CG ASN A 60 13.529 5.028 5.481 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.834 5.433 4.381 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.864 5.694 6.588 1.00 24.09 N ATOM 0 H ASN A 60 11.326 4.585 3.003 1.00 12.38 H new ATOM 0 HA ASN A 60 12.636 3.185 3.751 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.062 3.845 6.579 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.404 2.904 5.959 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.389 6.566 6.519 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.595 5.331 7.503 1.00 24.09 H new ATOM 962 N ILE A 61 10.534 1.549 3.612 1.00 11.08 N ATOM 963 CA ILE A 61 9.881 0.275 3.473 1.00 11.78 C ATOM 964 C ILE A 61 10.980 -0.512 2.839 1.00 13.74 C ATOM 965 O ILE A 61 11.588 -0.024 1.899 1.00 14.60 O ATOM 966 CB ILE A 61 8.685 0.333 2.597 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.491 1.016 3.380 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.202 -1.089 2.132 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.290 1.427 2.581 1.00 11.42 C ATOM 0 H ILE A 61 10.462 2.113 2.765 1.00 11.08 H new ATOM 0 HA ILE A 61 9.491 -0.129 4.407 1.00 11.78 H new ATOM 0 HB ILE A 61 8.971 0.905 1.715 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.160 0.327 4.157 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.880 1.901 3.883 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.324 -0.985 1.494 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.000 -1.580 1.574 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.947 -1.690 3.005 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.551 1.880 3.242 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.588 2.149 1.821 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.856 0.551 2.099 1.00 11.42 H new ATOM 981 N GLN A 62 11.203 -1.736 3.327 1.00 13.97 N ATOM 982 CA GLN A 62 12.326 -2.578 2.928 1.00 15.52 C ATOM 983 C GLN A 62 11.791 -3.993 2.651 1.00 13.94 C ATOM 984 O GLN A 62 10.620 -4.277 2.826 1.00 12.15 O ATOM 985 CB GLN A 62 13.352 -2.648 4.034 1.00 19.53 C ATOM 986 CG GLN A 62 14.269 -1.406 4.085 1.00 26.38 C ATOM 987 CD GLN A 62 15.168 -1.447 5.279 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.375 -2.367 6.025 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.899 -0.327 5.540 1.00 32.71 N ATOM 0 H GLN A 62 10.597 -2.173 4.021 1.00 13.97 H new ATOM 0 HA GLN A 62 12.798 -2.159 2.039 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.840 -2.755 4.991 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.964 -3.540 3.899 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.869 -1.356 3.176 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.660 -0.502 4.115 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.787 0.502 4.957 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.558 -0.318 6.319 1.00 32.71 H new ATOM 998 N LYS A 63 12.625 -4.920 2.239 1.00 11.73 N ATOM 999 CA LYS A 63 12.339 -6.318 2.050 1.00 11.97 C ATOM 1000 C LYS A 63 11.529 -6.987 3.146 1.00 10.41 C ATOM 1001 O LYS A 63 12.044 -7.084 4.243 1.00 9.59 O ATOM 1002 CB LYS A 63 13.791 -6.903 1.683 1.00 13.73 C ATOM 1003 CG LYS A 63 14.938 -6.741 2.716 1.00 16.98 C ATOM 1004 CD LYS A 63 16.184 -7.464 2.249 1.00 20.19 C ATOM 1005 CE LYS A 63 17.447 -7.225 3.101 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.634 -7.736 2.441 1.00 25.97 N ATOM 0 H LYS A 63 13.594 -4.696 2.011 1.00 11.73 H new ATOM 0 HA LYS A 63 11.620 -6.529 1.259 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.677 -7.968 1.478 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.113 -6.432 0.754 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.158 -5.683 2.860 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.623 -7.136 3.682 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.977 -8.534 2.230 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.396 -7.162 1.223 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.564 -6.158 3.289 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.331 -7.709 4.071 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.467 -7.560 3.039 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.531 -8.759 2.284 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.757 -7.256 1.527 1.00 25.97 H new ATOM 1020 N GLU A 64 10.251 -7.407 2.856 1.00 10.04 N ATOM 1021 CA GLU A 64 9.330 -8.210 3.708 1.00 10.94 C ATOM 1022 C GLU A 64 8.762 -7.430 4.905 1.00 9.74 C ATOM 1023 O GLU A 64 8.377 -7.957 5.967 1.00 9.42 O ATOM 1024 CB GLU A 64 9.841 -9.613 4.059 1.00 18.31 C ATOM 1025 CG GLU A 64 10.264 -10.507 2.905 1.00 24.16 C ATOM 1026 CD GLU A 64 10.836 -11.793 3.419 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.066 -11.825 3.786 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.150 -12.850 3.619 1.00 31.72 O ATOM 0 H GLU A 64 9.819 -7.174 1.962 1.00 10.04 H new ATOM 0 HA GLU A 64 8.471 -8.404 3.065 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.692 -9.504 4.731 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.058 -10.128 4.616 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.407 -10.714 2.265 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.004 -9.993 2.291 1.00 24.16 H new ATOM 1035 N SER A 65 8.725 -6.055 4.720 1.00 6.85 N ATOM 1036 CA SER A 65 8.132 -5.075 5.604 1.00 6.90 C ATOM 1037 C SER A 65 6.638 -5.002 5.394 1.00 4.72 C ATOM 1038 O SER A 65 6.089 -4.989 4.316 1.00 3.91 O ATOM 1039 CB SER A 65 8.588 -3.618 5.348 1.00 7.28 C ATOM 1040 OG SER A 65 9.787 -3.255 6.038 1.00 10.56 O ATOM 0 H SER A 65 9.141 -5.621 3.896 1.00 6.85 H new ATOM 0 HA SER A 65 8.440 -5.413 6.594 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.740 -3.478 4.278 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.789 -2.940 5.648 1.00 7.28 H new ATOM 0 HG SER A 65 9.929 -2.289 5.960 1.00 10.56 H new ATOM 1046 N THR A 66 5.877 -4.854 6.511 1.00 4.48 N ATOM 1047 CA THR A 66 4.486 -4.890 6.606 1.00 3.80 C ATOM 1048 C THR A 66 3.771 -3.580 6.378 1.00 4.60 C ATOM 1049 O THR A 66 3.871 -2.652 7.123 1.00 5.33 O ATOM 1050 CB THR A 66 3.823 -5.419 7.855 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.318 -6.664 8.116 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.304 -5.657 7.673 1.00 3.40 C ATOM 0 H THR A 66 6.310 -4.695 7.421 1.00 4.48 H new ATOM 0 HA THR A 66 4.373 -5.612 5.797 1.00 3.80 H new ATOM 0 HB THR A 66 4.008 -4.679 8.634 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.897 -7.020 8.926 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.881 -6.037 8.603 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.817 -4.718 7.410 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.142 -6.384 6.877 1.00 3.40 H new ATOM 1060 N LEU A 67 3.031 -3.526 5.284 1.00 4.17 N ATOM 1061 CA LEU A 67 2.183 -2.410 4.814 1.00 3.85 C ATOM 1062 C LEU A 67 0.825 -2.608 5.341 1.00 3.80 C ATOM 1063 O LEU A 67 0.383 -3.745 5.250 1.00 5.54 O ATOM 1064 CB LEU A 67 2.135 -2.448 3.290 1.00 7.18 C ATOM 1065 CG LEU A 67 3.173 -1.407 2.680 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.505 -1.933 2.777 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.743 -1.007 1.263 1.00 11.66 C ATOM 0 H LEU A 67 2.995 -4.317 4.641 1.00 4.17 H new ATOM 0 HA LEU A 67 2.582 -1.454 5.152 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.367 -3.453 2.937 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.128 -2.213 2.945 1.00 7.18 H new ATOM 0 HG LEU A 67 3.179 -0.482 3.256 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.211 -1.216 2.358 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.750 -2.113 3.824 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.568 -2.870 2.223 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.459 -0.294 0.853 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.710 -1.893 0.629 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.755 -0.549 1.298 1.00 11.66 H new ATOM 1079 N HIS A 68 0.118 -1.533 5.730 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.194 -1.649 6.315 1.00 4.17 C ATOM 1081 C HIS A 68 -2.228 -1.008 5.431 1.00 5.32 C ATOM 1082 O HIS A 68 -1.932 0.105 4.850 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.190 -1.051 7.733 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.445 -1.942 8.694 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.873 -1.730 8.902 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.779 -2.987 9.459 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.281 -2.645 9.790 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.294 -3.427 10.171 1.00 16.30 N ATOM 0 H HIS A 68 0.452 -0.573 5.641 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.459 -2.703 6.400 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.728 -0.064 7.714 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.215 -0.916 8.077 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.766 -3.423 9.505 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.296 -2.731 10.149 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.326 -4.190 10.847 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.389 -1.597 5.229 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.366 -1.135 4.302 1.00 3.97 C ATOM 1098 C LEU A 69 -5.587 -0.774 5.088 1.00 5.07 C ATOM 1099 O LEU A 69 -6.098 -1.621 5.812 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.631 -2.287 3.252 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.883 -2.081 2.372 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.637 -0.838 1.500 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.158 -3.254 1.426 1.00 9.96 C ATOM 0 H LEU A 69 -3.675 -2.438 5.730 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.043 -0.254 3.746 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.759 -2.378 2.604 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.730 -3.232 3.787 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.740 -1.982 3.038 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.504 -0.663 0.864 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.475 0.029 2.140 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.757 -0.999 0.877 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.051 -3.045 0.837 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.307 -3.391 0.759 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.312 -4.163 2.008 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.138 0.444 4.887 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.302 0.902 5.582 1.00 6.26 C ATOM 1117 C VAL A 70 -8.254 1.292 4.453 1.00 9.22 C ATOM 1118 O VAL A 70 -7.892 1.990 3.490 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.052 2.080 6.516 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.313 2.640 7.112 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.089 1.580 7.674 1.00 8.54 C ATOM 0 H VAL A 70 -5.763 1.123 4.225 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.688 0.131 6.249 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.605 2.888 5.936 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.066 3.476 7.767 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.970 2.986 6.314 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.819 1.865 7.688 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.890 2.402 8.362 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.564 0.762 8.215 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.150 1.233 7.242 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.518 0.834 4.545 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.532 1.342 3.654 1.00 16.06 C ATOM 1133 C LEU A 71 -10.775 2.832 3.801 1.00 18.09 C ATOM 1134 O LEU A 71 -10.752 3.383 4.899 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.849 0.499 3.829 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.692 -1.080 3.506 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.165 -1.649 3.426 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.023 -1.463 2.149 1.00 19.57 C ATOM 0 H LEU A 71 -9.837 0.133 5.213 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.168 1.225 2.633 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.203 0.613 4.854 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.619 0.914 3.178 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.043 -1.480 4.285 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.131 -2.717 3.209 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.670 -1.488 4.379 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.711 -1.135 2.635 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.980 -2.548 2.058 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.609 -1.053 1.326 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.013 -1.055 2.114 1.00 19.57 H new