USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot 127:sc= 0.968 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.836 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0574 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0305 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -176:sc= 0.35 (180deg=-0.0277) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 1 MET CE :methyl 170:sc=-0.00623 (180deg=-0.0966) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.26 (180deg=0.672) USER MOD Single : A 2 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.45) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 0.921 (180deg=-0.292) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=0.000769 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.32 (180deg=1.25) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.66) 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) USER MOD Single : A 41 GLN : amide:sc= 0.235 K(o=0.23,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.136 USER MOD Single : A 60 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 51:sc= 1.94 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.96 K(o=0.96,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.481 -7.147 -4.811 1.00 9.67 N ATOM 2 CA MET A 1 11.468 -7.679 -3.411 1.00 10.38 C ATOM 3 C MET A 1 10.059 -8.060 -3.084 1.00 9.62 C ATOM 4 O MET A 1 9.167 -7.840 -3.955 1.00 9.62 O ATOM 5 CB MET A 1 11.943 -6.546 -2.464 1.00 13.77 C ATOM 6 CG MET A 1 11.067 -5.295 -2.379 1.00 16.29 C ATOM 7 SD MET A 1 11.832 -3.689 -1.951 1.00 17.17 S ATOM 8 CE MET A 1 10.392 -2.814 -1.373 1.00 16.11 C ATOM 0 H1 MET A 1 12.260 -6.466 -4.916 1.00 9.67 H new ATOM 0 H2 MET A 1 11.615 -7.932 -5.480 1.00 9.67 H new ATOM 0 H3 MET A 1 10.577 -6.673 -5.011 1.00 9.67 H new ATOM 0 HA MET A 1 12.121 -8.545 -3.301 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.038 -6.961 -1.461 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.941 -6.239 -2.777 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.573 -5.175 -3.343 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.287 -5.492 -1.644 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.698 -1.878 -0.905 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.734 -2.601 -2.215 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.862 -3.427 -0.644 1.00 16.11 H new ATOM 20 N GLN A 2 9.792 -8.472 -1.784 1.00 9.27 N ATOM 21 CA GLN A 2 8.496 -8.897 -1.352 1.00 9.07 C ATOM 22 C GLN A 2 8.102 -8.025 -0.176 1.00 8.72 C ATOM 23 O GLN A 2 8.929 -7.815 0.714 1.00 8.22 O ATOM 24 CB GLN A 2 8.439 -10.360 -0.884 1.00 14.46 C ATOM 25 CG GLN A 2 8.789 -11.395 -2.004 1.00 17.01 C ATOM 26 CD GLN A 2 7.837 -11.447 -3.189 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.676 -11.710 -2.948 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.407 -11.334 -4.414 1.00 19.49 N ATOM 0 H GLN A 2 10.500 -8.500 -1.050 1.00 9.27 H new ATOM 0 HA GLN A 2 7.826 -8.809 -2.208 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.130 -10.492 -0.051 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.439 -10.572 -0.506 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.789 -11.172 -2.377 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.831 -12.387 -1.554 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.398 -11.108 -4.496 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.845 -11.475 -5.253 1.00 19.49 H new ATOM 37 N ILE A 3 6.886 -7.485 -0.109 1.00 5.87 N ATOM 38 CA ILE A 3 6.383 -6.695 1.052 1.00 5.07 C ATOM 39 C ILE A 3 5.066 -7.265 1.437 1.00 4.01 C ATOM 40 O ILE A 3 4.365 -7.885 0.671 1.00 4.61 O ATOM 41 CB ILE A 3 6.210 -5.183 0.855 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.368 -4.905 -0.458 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.584 -4.522 0.877 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.857 -3.464 -0.428 1.00 10.83 C ATOM 0 H ILE A 3 6.202 -7.576 -0.860 1.00 5.87 H new ATOM 0 HA ILE A 3 7.160 -6.780 1.812 1.00 5.07 H new ATOM 0 HB ILE A 3 5.638 -4.737 1.668 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.985 -5.067 -1.342 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.531 -5.600 -0.522 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.473 -3.447 0.738 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.066 -4.716 1.835 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.197 -4.930 0.074 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.276 -3.265 -1.329 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.227 -3.320 0.449 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.703 -2.779 -0.383 1.00 10.83 H new ATOM 56 N PHE A 4 4.701 -7.121 2.738 1.00 4.55 N ATOM 57 CA PHE A 4 3.480 -7.629 3.371 1.00 4.68 C ATOM 58 C PHE A 4 2.463 -6.535 3.581 1.00 5.30 C ATOM 59 O PHE A 4 2.580 -5.572 4.332 1.00 5.58 O ATOM 60 CB PHE A 4 3.720 -8.413 4.631 1.00 4.83 C ATOM 61 CG PHE A 4 4.874 -9.383 4.409 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.739 -10.433 3.501 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.106 -9.233 5.095 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.818 -11.386 3.300 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.156 -10.117 4.909 1.00 10.61 C ATOM 66 CZ PHE A 4 6.987 -11.207 3.987 1.00 8.90 C ATOM 0 H PHE A 4 5.291 -6.618 3.400 1.00 4.55 H new ATOM 0 HA PHE A 4 3.066 -8.345 2.661 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.951 -7.738 5.455 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.819 -8.959 4.910 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.822 -10.539 2.941 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.229 -8.408 5.781 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.699 -12.218 2.622 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.084 -9.990 5.446 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.801 -11.900 3.833 1.00 8.90 H new ATOM 76 N VAL A 5 1.271 -6.791 3.062 1.00 4.44 N ATOM 77 CA VAL A 5 0.143 -5.836 3.204 1.00 3.87 C ATOM 78 C VAL A 5 -0.980 -6.560 3.940 1.00 4.93 C ATOM 79 O VAL A 5 -1.474 -7.614 3.538 1.00 6.84 O ATOM 80 CB VAL A 5 -0.297 -5.190 1.902 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.424 -4.135 2.172 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.938 -4.545 1.164 1.00 9.13 C ATOM 0 H VAL A 5 1.045 -7.638 2.541 1.00 4.44 H new ATOM 0 HA VAL A 5 0.473 -4.977 3.788 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.710 -5.957 1.247 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.730 -3.680 1.230 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.281 -4.627 2.632 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.046 -3.363 2.842 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.606 -4.086 0.233 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.387 -3.785 1.803 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.675 -5.317 0.945 1.00 9.13 H new ATOM 92 N LYS A 6 -1.377 -5.977 5.118 1.00 6.04 N ATOM 93 CA LYS A 6 -2.348 -6.495 5.997 1.00 6.12 C ATOM 94 C LYS A 6 -3.524 -5.632 6.173 1.00 6.57 C ATOM 95 O LYS A 6 -3.443 -4.389 6.455 1.00 5.76 O ATOM 96 CB LYS A 6 -1.697 -6.838 7.342 1.00 7.45 C ATOM 97 CG LYS A 6 -0.481 -7.741 7.249 1.00 11.12 C ATOM 98 CD LYS A 6 0.242 -8.019 8.542 1.00 14.54 C ATOM 99 CE LYS A 6 -0.321 -9.003 9.559 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.553 -10.303 8.988 1.00 20.55 N ATOM 0 H LYS A 6 -0.980 -5.097 5.447 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.737 -7.402 5.534 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.406 -5.911 7.836 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.441 -7.318 7.978 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.793 -8.693 6.820 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.226 -7.293 6.551 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.241 -8.367 8.281 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.360 -7.064 9.053 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.372 -9.094 10.396 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.256 -8.612 9.961 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.999 -10.919 9.697 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.181 -10.213 8.164 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.353 -10.718 8.689 1.00 20.55 H new ATOM 114 N THR A 7 -4.673 -6.299 6.060 1.00 7.41 N ATOM 115 CA THR A 7 -5.973 -5.604 6.148 1.00 7.48 C ATOM 116 C THR A 7 -6.543 -5.653 7.538 1.00 8.75 C ATOM 117 O THR A 7 -6.146 -6.484 8.369 1.00 8.58 O ATOM 118 CB THR A 7 -6.982 -6.128 5.151 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.649 -7.288 5.612 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.358 -6.481 3.803 1.00 9.17 C ATOM 0 H THR A 7 -4.739 -7.306 5.909 1.00 7.41 H new ATOM 0 HA THR A 7 -5.770 -4.563 5.896 1.00 7.48 H new ATOM 0 HB THR A 7 -7.688 -5.306 5.032 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.291 -7.587 4.935 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.131 -6.851 3.130 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.897 -5.593 3.372 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.600 -7.252 3.944 1.00 9.17 H new ATOM 128 N LEU A 8 -7.516 -4.716 7.805 1.00 9.84 N ATOM 129 CA LEU A 8 -7.969 -4.323 9.136 1.00 14.15 C ATOM 130 C LEU A 8 -8.485 -5.554 9.863 1.00 17.37 C ATOM 131 O LEU A 8 -8.204 -5.729 10.996 1.00 17.01 O ATOM 132 CB LEU A 8 -9.090 -3.326 9.006 1.00 16.63 C ATOM 133 CG LEU A 8 -9.396 -2.603 10.291 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.368 -1.506 10.424 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.778 -1.945 10.210 1.00 18.59 C ATOM 0 H LEU A 8 -8.003 -4.216 7.061 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.143 -3.878 9.691 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.831 -2.596 8.239 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.988 -3.841 8.665 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.378 -3.297 11.131 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.547 -0.949 11.344 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.370 -1.944 10.453 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.444 -0.831 9.571 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.989 -1.425 11.145 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.793 -1.231 9.386 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.536 -2.710 10.041 1.00 18.59 H new ATOM 147 N THR A 9 -9.148 -6.469 9.131 1.00 18.33 N ATOM 148 CA THR A 9 -9.800 -7.703 9.556 1.00 19.24 C ATOM 149 C THR A 9 -8.974 -8.906 9.444 1.00 19.48 C ATOM 150 O THR A 9 -9.485 -9.997 9.792 1.00 23.14 O ATOM 151 CB THR A 9 -11.117 -7.881 8.832 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.938 -7.598 7.446 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.101 -6.861 9.443 1.00 19.70 C ATOM 0 H THR A 9 -9.245 -6.340 8.124 1.00 18.33 H new ATOM 0 HA THR A 9 -9.978 -7.585 10.625 1.00 19.24 H new ATOM 0 HB THR A 9 -11.491 -8.900 8.934 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.790 -7.715 6.976 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.070 -6.951 8.952 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.215 -7.059 10.509 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.714 -5.852 9.301 1.00 19.70 H new ATOM 161 N GLY A 10 -7.672 -8.760 9.110 1.00 19.43 N ATOM 162 CA GLY A 10 -6.753 -9.842 9.210 1.00 18.74 C ATOM 163 C GLY A 10 -6.394 -10.663 7.995 1.00 17.62 C ATOM 164 O GLY A 10 -5.788 -11.716 8.115 1.00 19.74 O ATOM 0 H GLY A 10 -7.264 -7.889 8.771 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.823 -9.437 9.610 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.148 -10.530 9.957 1.00 18.74 H new ATOM 168 N LYS A 11 -6.670 -10.108 6.786 1.00 13.56 N ATOM 169 CA LYS A 11 -6.132 -10.740 5.591 1.00 11.91 C ATOM 170 C LYS A 11 -4.766 -10.260 5.264 1.00 10.18 C ATOM 171 O LYS A 11 -4.518 -9.098 5.444 1.00 9.10 O ATOM 172 CB LYS A 11 -7.012 -10.466 4.371 1.00 13.43 C ATOM 173 CG LYS A 11 -6.589 -11.211 3.040 1.00 16.69 C ATOM 174 CD LYS A 11 -7.614 -11.190 1.933 1.00 17.92 C ATOM 175 CE LYS A 11 -7.360 -12.327 0.969 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.560 -12.512 0.127 1.00 21.93 N ATOM 0 H LYS A 11 -7.232 -9.271 6.632 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.104 -11.806 5.815 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.036 -10.748 4.614 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.014 -9.393 4.180 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.669 -10.761 2.668 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.361 -12.249 3.281 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.616 -11.276 2.353 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.570 -10.238 1.404 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.492 -12.108 0.347 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.137 -13.243 1.516 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.823 -13.518 0.114 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.346 -11.953 0.516 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.356 -12.195 -0.842 1.00 21.93 H new ATOM 190 N THR A 12 -3.868 -11.130 4.837 1.00 9.63 N ATOM 191 CA THR A 12 -2.478 -10.748 4.505 1.00 9.85 C ATOM 192 C THR A 12 -2.216 -11.112 3.107 1.00 11.66 C ATOM 193 O THR A 12 -2.523 -12.204 2.715 1.00 12.33 O ATOM 194 CB THR A 12 -1.456 -11.473 5.277 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.678 -11.480 6.651 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.069 -10.738 5.021 1.00 9.63 C ATOM 0 H THR A 12 -4.066 -12.122 4.706 1.00 9.63 H new ATOM 0 HA THR A 12 -2.407 -9.682 4.722 1.00 9.85 H new ATOM 0 HB THR A 12 -1.476 -12.512 4.947 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.962 -11.980 7.096 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.720 -11.245 5.577 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.164 -10.762 3.957 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.139 -9.702 5.354 1.00 9.63 H new ATOM 204 N ILE A 13 -1.629 -10.177 2.371 1.00 10.42 N ATOM 205 CA ILE A 13 -1.201 -10.459 1.007 1.00 11.84 C ATOM 206 C ILE A 13 0.180 -9.917 0.843 1.00 10.55 C ATOM 207 O ILE A 13 0.609 -8.909 1.394 1.00 11.92 O ATOM 208 CB ILE A 13 -2.045 -9.870 -0.124 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.348 -8.377 0.059 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.345 -10.716 -0.060 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.154 -7.771 -1.080 1.00 16.46 C ATOM 0 H ILE A 13 -1.440 -9.227 2.691 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.292 -11.541 0.908 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.530 -9.916 -1.084 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.894 -8.238 0.992 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.408 -7.834 0.156 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.036 -10.381 -0.834 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.103 -11.767 -0.219 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.810 -10.595 0.918 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.329 -6.714 -0.880 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.601 -7.877 -2.013 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.110 -8.287 -1.164 1.00 16.46 H new ATOM 223 N THR A 14 0.974 -10.782 0.209 1.00 9.39 N ATOM 224 CA THR A 14 2.380 -10.483 -0.115 1.00 9.63 C ATOM 225 C THR A 14 2.391 -9.886 -1.507 1.00 11.20 C ATOM 226 O THR A 14 1.757 -10.441 -2.409 1.00 11.63 O ATOM 227 CB THR A 14 3.196 -11.742 -0.199 1.00 10.38 C ATOM 228 OG1 THR A 14 3.037 -12.475 1.000 1.00 16.30 O ATOM 229 CG2 THR A 14 4.649 -11.285 -0.219 1.00 11.66 C ATOM 0 H THR A 14 0.668 -11.706 -0.095 1.00 9.39 H new ATOM 0 HA THR A 14 2.790 -9.826 0.652 1.00 9.63 H new ATOM 0 HB THR A 14 2.907 -12.342 -1.062 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.565 -13.299 0.952 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.303 -12.155 -0.280 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.817 -10.644 -1.084 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.868 -10.729 0.693 1.00 11.66 H new ATOM 237 N LEU A 15 3.104 -8.825 -1.841 1.00 8.29 N ATOM 238 CA LEU A 15 3.211 -8.149 -3.128 1.00 9.03 C ATOM 239 C LEU A 15 4.661 -8.275 -3.561 1.00 8.59 C ATOM 240 O LEU A 15 5.557 -7.963 -2.836 1.00 7.79 O ATOM 241 CB LEU A 15 2.790 -6.716 -3.074 1.00 11.08 C ATOM 242 CG LEU A 15 1.411 -6.390 -2.439 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.066 -4.860 -2.361 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.236 -7.075 -3.161 1.00 15.27 C ATOM 0 H LEU A 15 3.687 -8.364 -1.142 1.00 8.29 H new ATOM 0 HA LEU A 15 2.534 -8.614 -3.844 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.551 -6.164 -2.523 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.790 -6.328 -4.093 1.00 11.08 H new ATOM 0 HG LEU A 15 1.527 -6.780 -1.428 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.085 -4.731 -1.904 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.817 -4.348 -1.760 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.056 -4.438 -3.366 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.699 -6.807 -2.669 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.206 -6.747 -4.200 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.368 -8.156 -3.126 1.00 15.27 H new ATOM 256 N GLU A 16 4.938 -8.609 -4.815 1.00 11.04 N ATOM 257 CA GLU A 16 6.280 -8.649 -5.500 1.00 11.50 C ATOM 258 C GLU A 16 6.400 -7.244 -6.137 1.00 10.13 C ATOM 259 O GLU A 16 5.730 -6.881 -7.106 1.00 9.83 O ATOM 260 CB GLU A 16 6.311 -9.779 -6.568 1.00 17.22 C ATOM 261 CG GLU A 16 7.602 -9.730 -7.357 1.00 23.33 C ATOM 262 CD GLU A 16 7.852 -10.857 -8.321 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.219 -11.968 -7.892 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.518 -10.618 -9.518 1.00 28.86 O ATOM 0 H GLU A 16 4.191 -8.885 -5.453 1.00 11.04 H new ATOM 0 HA GLU A 16 7.109 -8.866 -4.827 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.212 -10.749 -6.082 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.462 -9.673 -7.243 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.623 -8.794 -7.916 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.431 -9.698 -6.650 1.00 23.33 H new ATOM 271 N VAL A 17 7.217 -6.359 -5.600 1.00 8.99 N ATOM 272 CA VAL A 17 7.480 -5.028 -5.999 1.00 8.85 C ATOM 273 C VAL A 17 8.983 -4.638 -6.064 1.00 8.04 C ATOM 274 O VAL A 17 9.845 -5.205 -5.477 1.00 8.99 O ATOM 275 CB VAL A 17 6.848 -4.038 -5.024 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.291 -4.170 -5.057 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.453 -4.138 -3.647 1.00 10.54 C ATOM 0 H VAL A 17 7.767 -6.606 -4.777 1.00 8.99 H new ATOM 0 HA VAL A 17 7.060 -4.980 -7.004 1.00 8.85 H new ATOM 0 HB VAL A 17 7.078 -3.022 -5.346 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.851 -3.459 -4.358 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.929 -3.960 -6.064 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.006 -5.183 -4.773 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.974 -3.416 -2.986 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.303 -5.144 -3.256 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.521 -3.926 -3.702 1.00 10.54 H new ATOM 287 N GLU A 18 9.283 -3.559 -6.824 1.00 7.29 N ATOM 288 CA GLU A 18 10.555 -2.942 -6.822 1.00 7.08 C ATOM 289 C GLU A 18 10.483 -1.741 -5.882 1.00 6.45 C ATOM 290 O GLU A 18 9.427 -1.095 -5.783 1.00 5.28 O ATOM 291 CB GLU A 18 10.938 -2.449 -8.219 1.00 10.28 C ATOM 292 CG GLU A 18 11.270 -3.596 -9.143 1.00 12.65 C ATOM 293 CD GLU A 18 12.433 -4.508 -8.685 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.248 -4.115 -7.807 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.496 -5.656 -9.205 1.00 18.17 O ATOM 0 H GLU A 18 8.613 -3.115 -7.452 1.00 7.29 H new ATOM 0 HA GLU A 18 11.304 -3.665 -6.501 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.116 -1.870 -8.639 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.795 -1.780 -8.147 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.378 -4.210 -9.266 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.515 -3.189 -10.124 1.00 12.65 H new ATOM 302 N PRO A 19 11.532 -1.326 -5.183 1.00 7.24 N ATOM 303 CA PRO A 19 11.444 -0.208 -4.240 1.00 7.07 C ATOM 304 C PRO A 19 11.175 1.144 -4.933 1.00 6.65 C ATOM 305 O PRO A 19 10.750 2.094 -4.326 1.00 6.37 O ATOM 306 CB PRO A 19 12.772 -0.278 -3.477 1.00 7.61 C ATOM 307 CG PRO A 19 13.659 -0.734 -4.560 1.00 8.16 C ATOM 308 CD PRO A 19 12.879 -1.732 -5.372 1.00 7.49 C ATOM 0 HA PRO A 19 10.591 -0.285 -3.565 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.072 0.688 -3.071 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.738 -0.978 -2.642 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.975 0.105 -5.180 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.563 -1.188 -4.154 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.163 -1.705 -6.424 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.045 -2.751 -5.023 1.00 7.49 H new ATOM 316 N SER A 20 11.444 1.157 -6.268 1.00 6.80 N ATOM 317 CA SER A 20 11.315 2.303 -7.126 1.00 6.28 C ATOM 318 C SER A 20 9.854 2.445 -7.700 1.00 8.45 C ATOM 319 O SER A 20 9.577 3.385 -8.439 1.00 7.26 O ATOM 320 CB SER A 20 12.333 2.309 -8.363 1.00 8.57 C ATOM 321 OG SER A 20 12.180 1.042 -9.005 1.00 11.13 O ATOM 0 H SER A 20 11.766 0.326 -6.765 1.00 6.80 H new ATOM 0 HA SER A 20 11.557 3.146 -6.479 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.107 3.124 -9.050 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.359 2.453 -8.024 1.00 8.57 H new ATOM 0 HG SER A 20 12.783 0.991 -9.776 1.00 11.13 H new ATOM 327 N ASP A 21 8.923 1.511 -7.308 1.00 7.50 N ATOM 328 CA ASP A 21 7.579 1.630 -7.642 1.00 7.70 C ATOM 329 C ASP A 21 6.837 2.733 -6.856 1.00 7.08 C ATOM 330 O ASP A 21 7.051 2.859 -5.647 1.00 8.11 O ATOM 331 CB ASP A 21 6.856 0.311 -7.373 1.00 11.00 C ATOM 332 CG ASP A 21 7.363 -0.794 -8.377 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.896 -0.330 -9.415 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.214 -1.995 -8.089 1.00 14.36 O ATOM 0 H ASP A 21 9.147 0.683 -6.757 1.00 7.50 H new ATOM 0 HA ASP A 21 7.564 1.898 -8.698 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.035 -0.009 -6.346 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.780 0.447 -7.482 1.00 11.00 H new ATOM 339 N THR A 22 5.774 3.411 -7.476 1.00 5.37 N ATOM 340 CA THR A 22 4.976 4.388 -6.799 1.00 6.01 C ATOM 341 C THR A 22 3.917 3.717 -5.938 1.00 8.01 C ATOM 342 O THR A 22 3.482 2.616 -6.233 1.00 8.11 O ATOM 343 CB THR A 22 4.295 5.379 -7.694 1.00 8.92 C ATOM 344 OG1 THR A 22 3.513 4.715 -8.709 1.00 10.22 O ATOM 345 CG2 THR A 22 5.349 6.217 -8.486 1.00 9.65 C ATOM 0 H THR A 22 5.499 3.255 -8.446 1.00 5.37 H new ATOM 0 HA THR A 22 5.690 4.945 -6.192 1.00 6.01 H new ATOM 0 HB THR A 22 3.674 5.997 -7.046 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.078 5.385 -9.277 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.836 6.931 -9.130 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.988 6.754 -7.785 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.959 5.551 -9.096 1.00 9.65 H new ATOM 353 N ILE A 23 3.423 4.428 -4.913 1.00 8.32 N ATOM 354 CA ILE A 23 2.350 4.006 -4.050 1.00 9.92 C ATOM 355 C ILE A 23 1.132 3.764 -4.893 1.00 10.01 C ATOM 356 O ILE A 23 0.455 2.743 -4.672 1.00 8.71 O ATOM 357 CB ILE A 23 2.089 5.016 -2.968 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.204 5.078 -1.882 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.784 4.827 -2.310 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.465 3.693 -1.224 1.00 12.30 C ATOM 0 H ILE A 23 3.787 5.348 -4.667 1.00 8.32 H new ATOM 0 HA ILE A 23 2.626 3.082 -3.543 1.00 9.92 H new ATOM 0 HB ILE A 23 2.084 5.968 -3.499 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.127 5.443 -2.332 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.919 5.795 -1.112 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.652 5.585 -1.538 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.012 4.919 -3.048 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.746 3.837 -1.856 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.250 3.789 -0.474 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.551 3.338 -0.749 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.777 2.980 -1.988 1.00 12.30 H new ATOM 372 N GLU A 24 0.823 4.563 -5.868 1.00 9.54 N ATOM 373 CA GLU A 24 -0.210 4.339 -6.797 1.00 11.81 C ATOM 374 C GLU A 24 -0.077 3.060 -7.636 1.00 11.14 C ATOM 375 O GLU A 24 -0.986 2.243 -7.723 1.00 10.62 O ATOM 376 CB GLU A 24 -0.294 5.530 -7.763 1.00 19.24 C ATOM 377 CG GLU A 24 -1.392 5.548 -8.879 1.00 27.76 C ATOM 378 CD GLU A 24 -1.291 6.725 -9.820 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.161 7.213 -10.019 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.374 7.166 -10.314 1.00 34.80 O ATOM 0 H GLU A 24 1.323 5.437 -6.035 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.109 4.220 -6.192 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.427 6.429 -7.161 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.674 5.618 -8.257 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.323 4.627 -9.457 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.375 5.556 -8.408 1.00 27.76 H new ATOM 387 N ASN A 25 1.117 2.714 -8.158 1.00 9.43 N ATOM 388 CA ASN A 25 1.400 1.464 -8.816 1.00 10.96 C ATOM 389 C ASN A 25 1.145 0.267 -7.874 1.00 9.68 C ATOM 390 O ASN A 25 0.662 -0.755 -8.311 1.00 9.33 O ATOM 391 CB ASN A 25 2.943 1.476 -9.207 1.00 16.78 C ATOM 392 CG ASN A 25 3.268 0.408 -10.280 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.782 -0.643 -9.892 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.891 0.650 -11.551 1.00 24.70 N ATOM 0 H ASN A 25 1.926 3.334 -8.121 1.00 9.43 H new ATOM 0 HA ASN A 25 0.755 1.358 -9.688 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.216 2.463 -9.581 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.546 1.294 -8.317 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.025 -0.063 -12.267 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.471 1.547 -11.797 1.00 24.70 H new ATOM 401 N VAL A 26 1.531 0.347 -6.599 1.00 6.52 N ATOM 402 CA VAL A 26 1.222 -0.623 -5.566 1.00 5.53 C ATOM 403 C VAL A 26 -0.227 -0.748 -5.263 1.00 4.42 C ATOM 404 O VAL A 26 -0.674 -1.923 -5.123 1.00 3.40 O ATOM 405 CB VAL A 26 2.040 -0.333 -4.352 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.877 -1.308 -3.213 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.495 -0.392 -4.815 1.00 8.12 C ATOM 0 H VAL A 26 2.091 1.126 -6.251 1.00 6.52 H new ATOM 0 HA VAL A 26 1.492 -1.606 -5.951 1.00 5.53 H new ATOM 0 HB VAL A 26 1.716 0.630 -3.957 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.514 -1.006 -2.382 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.837 -1.317 -2.888 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.162 -2.306 -3.545 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.154 -0.188 -3.971 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.711 -1.384 -5.212 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.660 0.354 -5.593 1.00 8.12 H new ATOM 417 N LYS A 27 -1.007 0.365 -5.174 1.00 2.64 N ATOM 418 CA LYS A 27 -2.399 0.343 -4.991 1.00 4.14 C ATOM 419 C LYS A 27 -3.113 -0.450 -6.123 1.00 5.58 C ATOM 420 O LYS A 27 -4.056 -1.260 -5.898 1.00 4.11 O ATOM 421 CB LYS A 27 -2.965 1.836 -4.935 1.00 3.97 C ATOM 422 CG LYS A 27 -2.733 2.552 -3.579 1.00 7.45 C ATOM 423 CD LYS A 27 -3.647 3.763 -3.305 1.00 9.02 C ATOM 424 CE LYS A 27 -3.247 4.372 -1.987 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.709 5.778 -1.840 1.00 15.47 N ATOM 0 H LYS A 27 -0.626 1.309 -5.235 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.603 -0.162 -4.047 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.496 2.420 -5.727 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.035 1.816 -5.144 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.869 1.827 -2.777 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.696 2.884 -3.536 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.554 4.497 -4.106 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.691 3.452 -3.278 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.658 3.772 -1.175 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.162 4.339 -1.891 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.378 6.159 -0.931 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.324 6.353 -2.617 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.748 5.807 -1.870 1.00 15.47 H new ATOM 439 N ALA A 28 -2.635 -0.272 -7.376 1.00 6.61 N ATOM 440 CA ALA A 28 -3.059 -0.989 -8.503 1.00 7.74 C ATOM 441 C ALA A 28 -2.760 -2.519 -8.539 1.00 9.17 C ATOM 442 O ALA A 28 -3.566 -3.339 -8.908 1.00 11.45 O ATOM 443 CB ALA A 28 -2.518 -0.246 -9.781 1.00 7.68 C ATOM 0 H ALA A 28 -1.913 0.416 -7.592 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.148 -0.992 -8.463 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.834 -0.783 -10.675 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.916 0.768 -9.808 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.429 -0.208 -9.746 1.00 7.68 H new ATOM 449 N LYS A 29 -1.595 -2.991 -7.983 1.00 8.96 N ATOM 450 CA LYS A 29 -1.247 -4.374 -7.793 1.00 7.90 C ATOM 451 C LYS A 29 -2.039 -5.023 -6.673 1.00 6.92 C ATOM 452 O LYS A 29 -2.410 -6.201 -6.652 1.00 6.87 O ATOM 453 CB LYS A 29 0.275 -4.405 -7.510 1.00 10.28 C ATOM 454 CG LYS A 29 0.951 -5.786 -7.412 1.00 14.94 C ATOM 455 CD LYS A 29 2.426 -5.672 -7.526 1.00 19.69 C ATOM 456 CE LYS A 29 3.024 -5.703 -8.932 1.00 22.63 C ATOM 457 NZ LYS A 29 4.346 -5.324 -8.891 1.00 24.98 N ATOM 0 H LYS A 29 -0.865 -2.359 -7.653 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.494 -4.953 -8.683 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.775 -3.840 -8.297 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.454 -3.875 -6.574 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.692 -6.254 -6.462 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.572 -6.436 -8.201 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.730 -4.740 -7.050 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.873 -6.483 -6.951 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.938 -6.706 -9.350 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.466 -5.035 -9.588 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.716 -5.250 -9.860 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.428 -4.402 -8.417 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.894 -6.034 -8.365 1.00 24.98 H new ATOM 471 N ILE A 30 -2.420 -4.218 -5.664 1.00 4.57 N ATOM 472 CA ILE A 30 -3.473 -4.558 -4.669 1.00 5.58 C ATOM 473 C ILE A 30 -4.838 -4.741 -5.353 1.00 7.26 C ATOM 474 O ILE A 30 -5.537 -5.742 -5.217 1.00 9.46 O ATOM 475 CB ILE A 30 -3.535 -3.662 -3.483 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.101 -3.619 -2.809 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.644 -4.078 -2.493 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.992 -2.463 -1.807 1.00 2.00 C ATOM 0 H ILE A 30 -2.004 -3.300 -5.508 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.175 -5.516 -4.243 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.806 -2.656 -3.804 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.907 -4.563 -2.301 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.338 -3.509 -3.579 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.649 -3.394 -1.644 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.611 -4.042 -2.994 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.455 -5.092 -2.140 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.997 -2.460 -1.362 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.162 -1.518 -2.322 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.740 -2.589 -1.024 1.00 2.00 H new ATOM 490 N GLN A 31 -5.271 -3.908 -6.296 1.00 7.06 N ATOM 491 CA GLN A 31 -6.510 -4.013 -7.098 1.00 8.67 C ATOM 492 C GLN A 31 -6.498 -5.227 -7.968 1.00 10.90 C ATOM 493 O GLN A 31 -7.509 -5.935 -8.046 1.00 9.63 O ATOM 494 CB GLN A 31 -6.669 -2.831 -8.042 1.00 9.12 C ATOM 495 CG GLN A 31 -8.072 -2.751 -8.708 1.00 10.76 C ATOM 496 CD GLN A 31 -8.213 -1.501 -9.630 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.222 -0.931 -10.077 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.463 -1.122 -10.027 1.00 14.76 N ATOM 0 H GLN A 31 -4.734 -3.078 -6.546 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.323 -4.052 -6.373 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.485 -1.909 -7.491 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.909 -2.894 -8.821 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.247 -3.654 -9.293 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.839 -2.719 -7.934 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.283 -1.599 -9.653 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.577 -0.362 -10.698 1.00 14.76 H new ATOM 507 N ASP A 32 -5.409 -5.627 -8.627 1.00 10.93 N ATOM 508 CA ASP A 32 -5.298 -6.934 -9.261 1.00 14.01 C ATOM 509 C ASP A 32 -5.467 -8.134 -8.300 1.00 14.04 C ATOM 510 O ASP A 32 -6.116 -9.143 -8.623 1.00 13.39 O ATOM 511 CB ASP A 32 -3.835 -6.851 -9.860 1.00 18.01 C ATOM 512 CG ASP A 32 -3.446 -7.939 -10.770 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.033 -8.034 -11.895 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.580 -8.796 -10.388 1.00 26.29 O ATOM 0 H ASP A 32 -4.577 -5.047 -8.734 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.089 -7.120 -9.987 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.736 -5.906 -10.393 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.126 -6.826 -9.032 1.00 18.01 H new ATOM 519 N LYS A 33 -4.882 -8.058 -7.044 1.00 14.22 N ATOM 520 CA LYS A 33 -5.121 -9.124 -6.056 1.00 14.00 C ATOM 521 C LYS A 33 -6.605 -9.259 -5.546 1.00 12.37 C ATOM 522 O LYS A 33 -7.260 -10.323 -5.536 1.00 12.17 O ATOM 523 CB LYS A 33 -4.299 -8.777 -4.785 1.00 18.62 C ATOM 524 CG LYS A 33 -2.769 -9.086 -4.907 1.00 24.00 C ATOM 525 CD LYS A 33 -2.373 -10.556 -5.135 1.00 27.61 C ATOM 526 CE LYS A 33 -0.809 -10.691 -5.043 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.314 -12.051 -5.098 1.00 30.06 N ATOM 0 H LYS A 33 -4.276 -7.300 -6.728 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.851 -10.050 -6.563 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.428 -7.718 -4.560 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.705 -9.334 -3.940 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.368 -8.495 -5.730 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.279 -8.740 -3.997 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.849 -11.193 -4.390 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.722 -10.892 -6.111 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.360 -10.122 -5.858 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.473 -10.234 -4.112 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.724 -12.046 -5.031 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.709 -12.597 -4.306 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.601 -12.489 -5.997 1.00 30.06 H new ATOM 541 N GLU A 34 -7.189 -8.128 -5.095 1.00 10.11 N ATOM 542 CA GLU A 34 -8.285 -8.138 -4.201 1.00 10.07 C ATOM 543 C GLU A 34 -9.424 -7.276 -4.705 1.00 9.32 C ATOM 544 O GLU A 34 -10.446 -7.138 -4.029 1.00 11.61 O ATOM 545 CB GLU A 34 -7.723 -7.572 -2.856 1.00 14.77 C ATOM 546 CG GLU A 34 -6.954 -8.590 -1.926 1.00 18.75 C ATOM 547 CD GLU A 34 -7.769 -9.811 -1.522 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.833 -9.655 -0.890 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.331 -10.968 -1.797 1.00 25.19 O ATOM 0 H GLU A 34 -6.884 -7.193 -5.365 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.694 -9.142 -4.089 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.049 -6.747 -3.089 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.554 -7.154 -2.289 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.053 -8.924 -2.440 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.632 -8.068 -1.025 1.00 18.75 H new ATOM 556 N GLY A 35 -9.394 -6.692 -5.900 1.00 7.22 N ATOM 557 CA GLY A 35 -10.567 -6.054 -6.430 1.00 6.29 C ATOM 558 C GLY A 35 -10.949 -4.701 -6.017 1.00 6.93 C ATOM 559 O GLY A 35 -12.003 -4.185 -6.401 1.00 7.41 O ATOM 0 H GLY A 35 -8.573 -6.654 -6.504 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.457 -6.036 -7.514 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.412 -6.705 -6.206 1.00 6.29 H new ATOM 563 N ILE A 36 -10.158 -4.048 -5.190 1.00 5.86 N ATOM 564 CA ILE A 36 -10.540 -2.813 -4.514 1.00 6.07 C ATOM 565 C ILE A 36 -10.063 -1.600 -5.407 1.00 6.36 C ATOM 566 O ILE A 36 -8.840 -1.563 -5.648 1.00 6.18 O ATOM 567 CB ILE A 36 -9.825 -2.664 -3.136 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.147 -3.772 -2.133 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.137 -1.325 -2.514 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.101 -3.802 -1.002 1.00 9.49 C ATOM 0 H ILE A 36 -9.215 -4.361 -4.961 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.619 -2.831 -4.361 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.761 -2.745 -3.360 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.140 -3.612 -1.713 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.168 -4.736 -2.642 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.628 -1.242 -1.554 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.796 -0.528 -3.175 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.213 -1.236 -2.363 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.348 -4.597 -0.299 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.113 -3.985 -1.425 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.101 -2.844 -0.481 1.00 9.49 H new ATOM 582 N PRO A 37 -10.825 -0.606 -5.813 1.00 8.65 N ATOM 583 CA PRO A 37 -10.410 0.666 -6.375 1.00 9.18 C ATOM 584 C PRO A 37 -9.269 1.387 -5.580 1.00 9.85 C ATOM 585 O PRO A 37 -9.453 1.632 -4.376 1.00 8.51 O ATOM 586 CB PRO A 37 -11.707 1.459 -6.392 1.00 11.42 C ATOM 587 CG PRO A 37 -12.775 0.445 -6.699 1.00 9.27 C ATOM 588 CD PRO A 37 -12.263 -0.784 -5.901 1.00 8.33 C ATOM 0 HA PRO A 37 -9.953 0.549 -7.358 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.886 1.944 -5.432 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.680 2.245 -7.146 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.760 0.771 -6.365 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.852 0.239 -7.767 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.716 -0.827 -4.911 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.515 -1.716 -6.408 1.00 8.33 H new ATOM 596 N PRO A 38 -8.144 1.854 -6.122 1.00 8.71 N ATOM 597 CA PRO A 38 -7.148 2.699 -5.475 1.00 9.08 C ATOM 598 C PRO A 38 -7.656 3.946 -4.746 1.00 9.28 C ATOM 599 O PRO A 38 -7.016 4.491 -3.794 1.00 6.50 O ATOM 600 CB PRO A 38 -6.090 2.930 -6.574 1.00 10.31 C ATOM 601 CG PRO A 38 -6.049 1.530 -7.250 1.00 10.81 C ATOM 602 CD PRO A 38 -7.549 1.175 -7.281 1.00 12.00 C ATOM 0 HA PRO A 38 -6.725 2.205 -4.601 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.384 3.715 -7.270 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.123 3.216 -6.161 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.613 1.567 -8.248 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.467 0.811 -6.674 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.011 1.509 -8.210 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.697 0.097 -7.221 1.00 12.00 H new ATOM 610 N ASP A 39 -8.909 4.410 -5.089 1.00 11.20 N ATOM 611 CA ASP A 39 -9.514 5.581 -4.564 1.00 14.96 C ATOM 612 C ASP A 39 -10.059 5.340 -3.116 1.00 13.99 C ATOM 613 O ASP A 39 -10.138 6.322 -2.341 1.00 13.75 O ATOM 614 CB ASP A 39 -10.657 6.070 -5.517 1.00 24.16 C ATOM 615 CG ASP A 39 -10.063 6.428 -6.885 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.186 7.338 -6.907 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.505 5.910 -7.952 1.00 35.55 O ATOM 0 H ASP A 39 -9.502 3.927 -5.764 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.754 6.360 -4.501 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.411 5.290 -5.628 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.157 6.938 -5.087 1.00 24.16 H new ATOM 622 N GLN A 40 -10.308 4.059 -2.730 1.00 11.60 N ATOM 623 CA GLN A 40 -10.654 3.730 -1.364 1.00 10.76 C ATOM 624 C GLN A 40 -9.502 3.487 -0.455 1.00 8.01 C ATOM 625 O GLN A 40 -9.635 3.684 0.743 1.00 8.96 O ATOM 626 CB GLN A 40 -11.480 2.445 -1.233 1.00 11.14 C ATOM 627 CG GLN A 40 -12.836 2.419 -1.869 1.00 14.85 C ATOM 628 CD GLN A 40 -13.583 1.143 -1.428 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.644 0.084 -2.025 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.189 1.235 -0.207 1.00 18.16 N ATOM 0 H GLN A 40 -10.270 3.257 -3.359 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.204 4.626 -1.077 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.896 1.627 -1.655 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.604 2.233 -0.171 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.403 3.304 -1.580 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.741 2.442 -2.955 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.154 2.110 0.315 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.677 0.428 0.182 1.00 18.16 H new ATOM 639 N GLN A 41 -8.360 3.094 -0.957 1.00 6.52 N ATOM 640 CA GLN A 41 -7.356 2.415 -0.259 1.00 3.87 C ATOM 641 C GLN A 41 -6.522 3.518 0.423 1.00 4.79 C ATOM 642 O GLN A 41 -6.014 4.417 -0.260 1.00 6.34 O ATOM 643 CB GLN A 41 -6.395 1.720 -1.276 1.00 4.20 C ATOM 644 CG GLN A 41 -7.028 0.558 -2.024 1.00 3.20 C ATOM 645 CD GLN A 41 -6.037 -0.198 -2.912 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.804 -0.281 -2.658 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.610 -0.885 -3.912 1.00 7.13 N ATOM 0 H GLN A 41 -8.113 3.263 -1.932 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.781 1.682 0.427 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.049 2.460 -1.998 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.515 1.360 -0.742 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.463 -0.135 -1.304 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.845 0.933 -2.640 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.611 -0.792 -4.087 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.045 -1.500 -4.497 1.00 7.13 H new ATOM 656 N ARG A 42 -6.380 3.480 1.717 1.00 5.73 N ATOM 657 CA ARG A 42 -5.431 4.228 2.534 1.00 6.97 C ATOM 658 C ARG A 42 -4.361 3.277 3.105 1.00 7.15 C ATOM 659 O ARG A 42 -4.596 2.368 3.896 1.00 7.33 O ATOM 660 CB ARG A 42 -6.175 4.887 3.713 1.00 13.23 C ATOM 661 CG ARG A 42 -7.288 5.826 3.319 1.00 21.27 C ATOM 662 CD ARG A 42 -7.957 6.404 4.544 1.00 26.14 C ATOM 663 NE ARG A 42 -8.904 7.505 4.166 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.763 8.115 5.040 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.777 7.735 6.296 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.549 9.124 4.675 1.00 36.39 N ATOM 0 H ARG A 42 -6.970 2.876 2.289 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.957 4.987 1.912 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.589 4.102 4.346 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.453 5.436 4.317 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.890 6.631 2.702 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.022 5.294 2.714 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.498 5.619 5.073 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.201 6.788 5.229 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.908 7.819 3.196 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.152 6.993 6.611 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.413 8.182 6.957 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.524 9.468 3.715 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.176 9.553 5.355 1.00 36.39 H new ATOM 680 N LEU A 43 -3.116 3.537 2.726 1.00 4.65 N ATOM 681 CA LEU A 43 -1.926 2.825 3.171 1.00 3.51 C ATOM 682 C LEU A 43 -1.211 3.484 4.330 1.00 5.56 C ATOM 683 O LEU A 43 -1.055 4.701 4.324 1.00 4.19 O ATOM 684 CB LEU A 43 -1.005 2.447 1.994 1.00 3.74 C ATOM 685 CG LEU A 43 -1.706 1.622 0.883 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.768 1.502 -0.338 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.091 0.220 1.393 1.00 6.41 C ATOM 0 H LEU A 43 -2.899 4.286 2.069 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.277 1.883 3.591 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.601 3.359 1.555 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.159 1.876 2.377 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.621 2.138 0.593 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.260 0.922 -1.119 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.535 2.497 -0.717 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.154 1.002 -0.041 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.581 -0.336 0.594 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.193 -0.312 1.708 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.772 0.315 2.239 1.00 6.41 H new ATOM 699 N ILE A 44 -0.925 2.708 5.372 1.00 4.58 N ATOM 700 CA ILE A 44 -0.275 3.310 6.583 1.00 5.55 C ATOM 701 C ILE A 44 0.963 2.484 6.881 1.00 5.46 C ATOM 702 O ILE A 44 0.959 1.248 6.893 1.00 6.04 O ATOM 703 CB ILE A 44 -1.030 3.346 7.926 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.364 4.114 7.741 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.327 4.030 9.095 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.454 3.156 7.299 1.00 13.90 C ATOM 0 H ILE A 44 -1.113 1.707 5.427 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.154 4.352 6.288 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.133 2.292 8.183 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.649 4.596 8.676 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.239 4.904 7.000 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.964 3.986 9.978 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.615 3.521 9.301 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.129 5.071 8.842 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.389 3.702 7.171 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.171 2.694 6.353 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.587 2.382 8.055 1.00 13.90 H new ATOM 718 N PHE A 45 2.066 3.232 7.098 1.00 6.75 N ATOM 719 CA PHE A 45 3.324 2.577 7.396 1.00 4.70 C ATOM 720 C PHE A 45 4.229 3.486 8.321 1.00 6.34 C ATOM 721 O PHE A 45 4.361 4.712 8.097 1.00 5.45 O ATOM 722 CB PHE A 45 3.975 2.144 6.032 1.00 5.51 C ATOM 723 CG PHE A 45 5.481 1.821 6.176 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.943 0.594 6.527 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.365 2.897 6.086 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.332 0.336 6.694 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.699 2.708 6.397 1.00 6.64 C ATOM 728 CZ PHE A 45 8.229 1.404 6.552 1.00 6.84 C ATOM 0 H PHE A 45 2.098 4.251 7.071 1.00 6.75 H new ATOM 0 HA PHE A 45 3.181 1.671 7.985 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.453 1.269 5.645 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.845 2.942 5.301 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.237 -0.208 6.684 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.010 3.869 5.776 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.687 -0.658 6.924 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.344 3.565 6.523 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.296 1.237 6.561 1.00 6.84 H new ATOM 738 N ALA A 46 4.844 2.857 9.334 1.00 6.53 N ATOM 739 CA ALA A 46 5.671 3.471 10.325 1.00 7.15 C ATOM 740 C ALA A 46 5.152 4.740 10.986 1.00 9.00 C ATOM 741 O ALA A 46 5.942 5.593 11.296 1.00 11.15 O ATOM 742 CB ALA A 46 7.087 3.536 9.766 1.00 8.99 C ATOM 0 H ALA A 46 4.758 1.850 9.471 1.00 6.53 H new ATOM 0 HA ALA A 46 5.657 2.838 11.212 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.747 4.001 10.499 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.439 2.528 9.549 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.090 4.126 8.850 1.00 8.99 H new ATOM 748 N GLY A 47 3.872 4.779 11.287 1.00 9.35 N ATOM 749 CA GLY A 47 3.262 5.948 11.942 1.00 11.68 C ATOM 750 C GLY A 47 2.719 6.985 11.029 1.00 11.14 C ATOM 751 O GLY A 47 2.245 8.015 11.523 1.00 13.93 O ATOM 0 H GLY A 47 3.220 4.019 11.093 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.456 5.600 12.588 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.009 6.412 12.586 1.00 11.68 H new ATOM 755 N LYS A 48 2.687 6.691 9.708 1.00 10.47 N ATOM 756 CA LYS A 48 2.600 7.666 8.609 1.00 8.82 C ATOM 757 C LYS A 48 1.689 7.183 7.509 1.00 7.68 C ATOM 758 O LYS A 48 1.693 5.998 7.162 1.00 6.47 O ATOM 759 CB LYS A 48 3.952 7.970 7.977 1.00 9.74 C ATOM 760 CG LYS A 48 5.014 8.332 9.006 1.00 14.14 C ATOM 761 CD LYS A 48 6.382 8.704 8.352 1.00 16.32 C ATOM 762 CE LYS A 48 7.269 7.428 8.305 1.00 20.04 C ATOM 763 NZ LYS A 48 8.528 7.760 7.747 1.00 23.92 N ATOM 0 H LYS A 48 2.723 5.729 9.371 1.00 10.47 H new ATOM 0 HA LYS A 48 2.204 8.571 9.069 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.285 7.103 7.407 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.841 8.793 7.270 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.662 9.171 9.606 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.157 7.492 9.686 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.227 9.095 7.346 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.876 9.488 8.926 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.398 7.022 9.308 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.785 6.655 7.708 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.127 6.911 7.712 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.394 8.129 6.784 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.988 8.484 8.335 1.00 23.92 H new ATOM 777 N GLN A 49 0.876 8.147 7.060 1.00 8.89 N ATOM 778 CA GLN A 49 0.186 8.085 5.772 1.00 7.18 C ATOM 779 C GLN A 49 1.033 8.068 4.528 1.00 8.23 C ATOM 780 O GLN A 49 2.065 8.689 4.521 1.00 9.70 O ATOM 781 CB GLN A 49 -0.851 9.187 5.703 1.00 11.67 C ATOM 782 CG GLN A 49 -1.891 9.249 6.800 1.00 15.82 C ATOM 783 CD GLN A 49 -3.195 9.958 6.311 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.271 11.191 6.217 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.231 9.134 5.982 1.00 20.67 N ATOM 0 H GLN A 49 0.679 8.998 7.587 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.271 7.095 5.761 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.325 10.141 5.687 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.374 9.095 4.751 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.128 8.240 7.136 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.485 9.783 7.659 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.128 8.123 6.074 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.109 9.528 5.644 1.00 20.67 H new ATOM 794 N LEU A 50 0.589 7.339 3.463 1.00 6.51 N ATOM 795 CA LEU A 50 1.443 7.239 2.314 1.00 7.41 C ATOM 796 C LEU A 50 0.819 7.912 1.134 1.00 8.27 C ATOM 797 O LEU A 50 -0.237 7.482 0.642 1.00 8.34 O ATOM 798 CB LEU A 50 1.701 5.822 1.922 1.00 7.13 C ATOM 799 CG LEU A 50 2.338 4.878 2.973 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.531 3.569 2.302 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.667 5.451 3.462 1.00 9.11 C ATOM 0 H LEU A 50 -0.305 6.851 3.404 1.00 6.51 H new ATOM 0 HA LEU A 50 2.381 7.719 2.595 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.752 5.384 1.612 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.349 5.831 1.046 1.00 7.13 H new ATOM 0 HG LEU A 50 1.700 4.768 3.850 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.979 2.864 3.002 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.567 3.186 1.968 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.189 3.694 1.442 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.104 4.778 4.200 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.350 5.557 2.619 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.497 6.427 3.917 1.00 9.11 H new ATOM 813 N GLU A 51 1.399 8.973 0.513 1.00 9.43 N ATOM 814 CA GLU A 51 0.881 9.697 -0.632 1.00 11.90 C ATOM 815 C GLU A 51 1.085 8.962 -1.961 1.00 11.49 C ATOM 816 O GLU A 51 2.085 8.254 -2.148 1.00 9.88 O ATOM 817 CB GLU A 51 1.619 11.059 -0.873 1.00 16.56 C ATOM 818 CG GLU A 51 1.623 11.986 0.357 1.00 26.06 C ATOM 819 CD GLU A 51 2.254 13.332 0.226 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.088 13.605 -0.663 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.006 14.195 1.137 1.00 33.44 O ATOM 0 H GLU A 51 2.291 9.351 0.832 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.172 9.818 -0.378 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.649 10.857 -1.168 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.144 11.577 -1.706 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.588 12.133 0.666 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.127 11.460 1.168 1.00 26.06 H new ATOM 828 N ASP A 52 0.166 9.178 -2.955 1.00 12.71 N ATOM 829 CA ASP A 52 0.119 8.407 -4.199 1.00 16.56 C ATOM 830 C ASP A 52 1.363 8.499 -5.127 1.00 15.83 C ATOM 831 O ASP A 52 1.766 7.543 -5.789 1.00 17.21 O ATOM 832 CB ASP A 52 -1.165 8.829 -4.989 1.00 21.05 C ATOM 833 CG ASP A 52 -2.337 8.507 -4.128 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.664 7.274 -4.006 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.884 9.407 -3.437 1.00 28.37 O ATOM 0 H ASP A 52 -0.555 9.897 -2.896 1.00 12.71 H new ATOM 0 HA ASP A 52 0.104 7.362 -3.891 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.140 9.893 -5.223 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.226 8.295 -5.937 1.00 21.05 H new ATOM 840 N GLY A 53 1.811 9.828 -5.316 1.00 15.00 N ATOM 841 CA GLY A 53 2.924 10.221 -6.244 1.00 11.77 C ATOM 842 C GLY A 53 4.347 9.909 -5.722 1.00 11.10 C ATOM 843 O GLY A 53 5.380 10.177 -6.302 1.00 11.25 O ATOM 0 H GLY A 53 1.399 10.622 -4.825 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.782 9.710 -7.196 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.852 11.290 -6.443 1.00 11.77 H new ATOM 847 N ARG A 54 4.350 9.241 -4.575 1.00 8.53 N ATOM 848 CA ARG A 54 5.643 8.820 -3.994 1.00 9.05 C ATOM 849 C ARG A 54 5.922 7.377 -4.285 1.00 8.96 C ATOM 850 O ARG A 54 4.975 6.584 -4.464 1.00 11.60 O ATOM 851 CB ARG A 54 5.541 9.011 -2.455 1.00 7.97 C ATOM 852 CG ARG A 54 5.152 10.393 -1.992 1.00 9.62 C ATOM 853 CD ARG A 54 6.319 11.409 -1.858 1.00 12.20 C ATOM 854 NE ARG A 54 5.637 12.646 -1.471 1.00 18.23 N ATOM 855 CZ ARG A 54 6.310 13.760 -1.145 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.578 13.983 -1.462 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.772 14.681 -0.351 1.00 23.38 N ATOM 0 H ARG A 54 3.520 8.983 -4.041 1.00 8.53 H new ATOM 0 HA ARG A 54 6.449 9.414 -4.425 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.813 8.299 -2.066 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.503 8.757 -2.011 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.420 10.798 -2.691 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.656 10.307 -1.025 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.043 11.095 -1.106 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.863 11.525 -2.795 1.00 12.20 H new ATOM 0 HE ARG A 54 4.617 12.661 -1.449 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.103 13.283 -1.986 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.028 14.854 -1.181 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.832 14.547 0.022 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.299 15.521 -0.114 1.00 23.38 H new ATOM 871 N THR A 55 7.219 7.019 -4.321 1.00 9.05 N ATOM 872 CA THR A 55 7.698 5.626 -4.403 1.00 9.03 C ATOM 873 C THR A 55 7.892 5.036 -3.071 1.00 8.15 C ATOM 874 O THR A 55 7.926 5.751 -2.063 1.00 5.91 O ATOM 875 CB THR A 55 9.068 5.454 -5.134 1.00 11.15 C ATOM 876 OG1 THR A 55 10.057 6.302 -4.591 1.00 11.95 O ATOM 877 CG2 THR A 55 9.004 5.805 -6.592 1.00 11.71 C ATOM 0 H THR A 55 7.977 7.701 -4.293 1.00 9.05 H new ATOM 0 HA THR A 55 6.912 5.129 -4.971 1.00 9.03 H new ATOM 0 HB THR A 55 9.312 4.400 -5.002 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.845 5.772 -4.349 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.986 5.665 -7.043 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.280 5.160 -7.090 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.699 6.846 -6.703 1.00 11.71 H new ATOM 885 N LEU A 56 8.005 3.754 -3.019 1.00 6.91 N ATOM 886 CA LEU A 56 8.327 2.977 -1.806 1.00 8.29 C ATOM 887 C LEU A 56 9.666 3.426 -1.166 1.00 8.05 C ATOM 888 O LEU A 56 9.786 3.604 0.054 1.00 10.17 O ATOM 889 CB LEU A 56 8.309 1.432 -2.073 1.00 6.60 C ATOM 890 CG LEU A 56 6.870 0.854 -2.554 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.071 -0.562 -2.980 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.841 0.951 -1.461 1.00 8.64 C ATOM 0 H LEU A 56 7.875 3.165 -3.841 1.00 6.91 H new ATOM 0 HA LEU A 56 7.538 3.188 -1.085 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.054 1.198 -2.833 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.609 0.914 -1.162 1.00 6.60 H new ATOM 0 HG LEU A 56 6.490 1.449 -3.385 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.120 -0.981 -3.310 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -0.597 -3.801 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.452 -1.144 -2.141 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.891 0.555 -1.820 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.172 0.374 -0.597 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.713 1.994 -1.173 1.00 8.64 H new ATOM 904 N SER A 57 10.665 3.634 -2.041 1.00 8.92 N ATOM 905 CA SER A 57 12.014 3.969 -1.623 1.00 9.00 C ATOM 906 C SER A 57 12.103 5.354 -0.993 1.00 9.44 C ATOM 907 O SER A 57 12.889 5.623 -0.101 1.00 10.91 O ATOM 908 CB SER A 57 12.978 4.025 -2.898 1.00 10.32 C ATOM 909 OG SER A 57 12.376 4.811 -3.925 1.00 13.59 O ATOM 0 H SER A 57 10.548 3.572 -3.052 1.00 8.92 H new ATOM 0 HA SER A 57 12.302 3.204 -0.902 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.941 4.452 -2.618 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.170 3.017 -3.265 1.00 10.32 H new ATOM 0 HG SER A 57 12.971 4.843 -4.703 1.00 13.59 H new ATOM 915 N ASP A 58 11.145 6.248 -1.383 1.00 9.11 N ATOM 916 CA ASP A 58 11.042 7.606 -0.808 1.00 7.91 C ATOM 917 C ASP A 58 10.612 7.527 0.710 1.00 9.12 C ATOM 918 O ASP A 58 10.980 8.353 1.521 1.00 8.61 O ATOM 919 CB ASP A 58 9.914 8.305 -1.616 1.00 8.41 C ATOM 920 CG ASP A 58 9.966 9.822 -1.567 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.790 10.430 -2.284 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.161 10.425 -0.792 1.00 11.70 O ATOM 0 H ASP A 58 10.440 6.044 -2.091 1.00 9.11 H new ATOM 0 HA ASP A 58 11.992 8.137 -0.861 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.974 7.983 -2.656 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.949 7.973 -1.234 1.00 8.41 H new ATOM 927 N TYR A 59 9.821 6.501 1.033 1.00 7.97 N ATOM 928 CA TYR A 59 9.310 6.190 2.366 1.00 8.45 C ATOM 929 C TYR A 59 10.069 5.200 3.211 1.00 10.98 C ATOM 930 O TYR A 59 9.703 4.864 4.353 1.00 12.95 O ATOM 931 CB TYR A 59 7.880 5.687 2.357 1.00 7.94 C ATOM 932 CG TYR A 59 6.875 6.784 2.198 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.580 7.567 3.359 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.103 7.030 1.012 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.597 8.633 3.263 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.117 8.038 0.938 1.00 6.52 C ATOM 937 CZ TYR A 59 4.926 8.852 2.062 1.00 6.76 C ATOM 938 OH TYR A 59 4.077 9.993 1.936 1.00 7.63 O ATOM 0 H TYR A 59 9.504 5.830 0.333 1.00 7.97 H new ATOM 0 HA TYR A 59 9.424 7.175 2.820 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.758 4.970 1.545 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.683 5.153 3.287 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.082 7.368 4.295 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.284 6.418 0.140 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.387 9.254 4.121 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.529 8.177 0.043 1.00 6.52 H new ATOM 0 HH TYR A 59 4.300 10.478 1.114 1.00 7.63 H new ATOM 948 N ASN A 60 11.228 4.674 2.716 1.00 12.38 N ATOM 949 CA ASN A 60 12.002 3.647 3.396 1.00 13.94 C ATOM 950 C ASN A 60 11.209 2.302 3.588 1.00 14.16 C ATOM 951 O ASN A 60 11.318 1.640 4.617 1.00 14.26 O ATOM 952 CB ASN A 60 12.792 4.000 4.630 1.00 19.23 C ATOM 953 CG ASN A 60 13.842 5.102 4.237 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.969 5.598 3.117 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.573 5.648 5.178 1.00 24.09 N ATOM 0 H ASN A 60 11.635 4.967 1.828 1.00 12.38 H new ATOM 0 HA ASN A 60 12.796 3.515 2.661 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.130 4.367 5.414 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.296 3.118 5.025 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.191 6.428 4.955 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.524 5.293 6.133 1.00 24.09 H new ATOM 962 N ILE A 61 10.367 1.943 2.565 1.00 11.08 N ATOM 963 CA ILE A 61 9.653 0.674 2.528 1.00 11.78 C ATOM 964 C ILE A 61 10.576 -0.242 1.718 1.00 13.74 C ATOM 965 O ILE A 61 11.092 0.110 0.643 1.00 14.60 O ATOM 966 CB ILE A 61 8.231 0.869 2.073 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.447 1.802 2.949 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.452 -0.509 1.921 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.178 2.354 2.216 1.00 11.42 C ATOM 0 H ILE A 61 10.183 2.540 1.759 1.00 11.08 H new ATOM 0 HA ILE A 61 9.476 0.193 3.490 1.00 11.78 H new ATOM 0 HB ILE A 61 8.315 1.334 1.091 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.145 1.281 3.857 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.082 2.634 3.255 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.431 -0.315 1.591 1.00 13.29 H new ATOM 0 HG22 ILE A 61 7.959 -1.134 1.186 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.431 -1.023 2.882 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.636 3.026 2.882 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.482 2.897 1.321 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.531 1.524 1.934 1.00 11.42 H new ATOM 981 N GLN A 62 10.925 -1.402 2.290 1.00 13.97 N ATOM 982 CA GLN A 62 12.043 -2.195 1.991 1.00 15.52 C ATOM 983 C GLN A 62 11.691 -3.628 2.083 1.00 13.94 C ATOM 984 O GLN A 62 10.585 -3.986 2.415 1.00 12.15 O ATOM 985 CB GLN A 62 13.353 -1.810 2.743 1.00 19.53 C ATOM 986 CG GLN A 62 13.281 -2.152 4.261 1.00 26.38 C ATOM 987 CD GLN A 62 14.246 -1.395 5.118 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.919 -0.535 5.940 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.540 -1.822 5.043 1.00 32.71 N ATOM 0 H GLN A 62 10.359 -1.812 3.033 1.00 13.97 H new ATOM 0 HA GLN A 62 12.309 -1.981 0.956 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.196 -2.335 2.293 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.540 -0.743 2.621 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.269 -1.956 4.616 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.463 -3.219 4.388 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.804 -2.533 4.361 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.244 -1.430 5.669 1.00 32.71 H new ATOM 998 N LYS A 63 12.556 -4.556 1.665 1.00 11.73 N ATOM 999 CA LYS A 63 12.195 -5.940 1.684 1.00 11.97 C ATOM 1000 C LYS A 63 11.666 -6.513 2.938 1.00 10.41 C ATOM 1001 O LYS A 63 12.127 -6.217 4.075 1.00 9.59 O ATOM 1002 CB LYS A 63 13.363 -6.806 1.238 1.00 13.73 C ATOM 1003 CG LYS A 63 14.648 -6.681 2.083 1.00 16.98 C ATOM 1004 CD LYS A 63 15.645 -7.781 1.824 1.00 20.19 C ATOM 1005 CE LYS A 63 16.977 -7.687 2.572 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.774 -8.816 2.144 1.00 25.97 N ATOM 0 H LYS A 63 13.494 -4.359 1.317 1.00 11.73 H new ATOM 0 HA LYS A 63 11.352 -5.953 0.993 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.044 -7.848 1.248 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.604 -6.556 0.205 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.118 -5.719 1.876 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.381 -6.685 3.140 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.177 -8.732 2.079 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.855 -7.806 0.755 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.483 -6.748 2.346 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.818 -7.712 3.650 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.694 -8.795 2.628 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.279 -9.700 2.380 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.923 -8.766 1.116 1.00 25.97 H new ATOM 1020 N GLU A 64 10.555 -7.283 2.800 1.00 10.04 N ATOM 1021 CA GLU A 64 9.771 -7.912 3.827 1.00 10.94 C ATOM 1022 C GLU A 64 9.148 -6.915 4.885 1.00 9.74 C ATOM 1023 O GLU A 64 8.786 -7.217 6.024 1.00 9.42 O ATOM 1024 CB GLU A 64 10.628 -8.995 4.589 1.00 18.31 C ATOM 1025 CG GLU A 64 11.398 -9.936 3.637 1.00 24.16 C ATOM 1026 CD GLU A 64 11.742 -11.223 4.355 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.455 -11.145 5.383 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.406 -12.319 3.861 1.00 32.61 O ATOM 0 H GLU A 64 10.175 -7.480 1.874 1.00 10.04 H new ATOM 0 HA GLU A 64 8.934 -8.371 3.300 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.338 -8.492 5.246 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.971 -9.589 5.224 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.793 -10.151 2.756 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.309 -9.449 3.288 1.00 24.16 H new ATOM 1035 N SER A 65 8.904 -5.672 4.470 1.00 6.85 N ATOM 1036 CA SER A 65 8.239 -4.667 5.315 1.00 6.90 C ATOM 1037 C SER A 65 6.807 -4.969 5.503 1.00 4.72 C ATOM 1038 O SER A 65 6.243 -5.611 4.563 1.00 3.91 O ATOM 1039 CB SER A 65 8.305 -3.254 4.765 1.00 7.28 C ATOM 1040 OG SER A 65 9.654 -2.828 4.503 1.00 10.56 O ATOM 0 H SER A 65 9.159 -5.330 3.544 1.00 6.85 H new ATOM 0 HA SER A 65 8.790 -4.717 6.254 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.724 -3.198 3.844 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.842 -2.569 5.475 1.00 7.28 H new ATOM 0 HG SER A 65 10.109 -3.501 3.954 1.00 10.56 H new ATOM 1046 N THR A 66 6.212 -4.563 6.576 1.00 4.48 N ATOM 1047 CA THR A 66 4.880 -4.943 6.904 1.00 3.80 C ATOM 1048 C THR A 66 4.089 -3.685 6.932 1.00 4.60 C ATOM 1049 O THR A 66 4.442 -2.799 7.710 1.00 5.33 O ATOM 1050 CB THR A 66 4.688 -5.678 8.254 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.615 -6.764 8.368 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.327 -6.356 8.417 1.00 3.40 C ATOM 0 H THR A 66 6.648 -3.946 7.262 1.00 4.48 H new ATOM 0 HA THR A 66 4.563 -5.668 6.155 1.00 3.80 H new ATOM 0 HB THR A 66 4.817 -4.890 8.996 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.483 -7.218 9.226 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.279 -6.846 9.390 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.537 -5.608 8.348 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.194 -7.098 7.630 1.00 3.40 H new ATOM 1060 N LEU A 67 3.074 -3.604 6.033 1.00 4.17 N ATOM 1061 CA LEU A 67 2.274 -2.442 5.774 1.00 3.85 C ATOM 1062 C LEU A 67 0.779 -2.717 6.042 1.00 3.80 C ATOM 1063 O LEU A 67 0.236 -3.801 5.989 1.00 5.54 O ATOM 1064 CB LEU A 67 2.360 -2.028 4.256 1.00 7.18 C ATOM 1065 CG LEU A 67 3.812 -1.606 3.898 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.650 -2.731 3.233 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.617 -0.375 3.005 1.00 11.66 C ATOM 0 H LEU A 67 2.802 -4.400 5.457 1.00 4.17 H new ATOM 0 HA LEU A 67 2.658 -1.661 6.430 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.050 -2.861 3.626 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.674 -1.205 4.056 1.00 7.18 H new ATOM 0 HG LEU A 67 4.405 -1.386 4.785 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.651 -2.358 3.014 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.720 -3.582 3.911 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.168 -3.044 2.307 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.589 0.006 2.693 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.037 -0.652 2.125 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.086 0.397 3.561 1.00 11.66 H new ATOM 1079 N HIS A 68 0.103 -1.617 6.364 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.336 -1.636 6.597 1.00 4.17 C ATOM 1081 C HIS A 68 -2.141 -1.057 5.481 1.00 5.32 C ATOM 1082 O HIS A 68 -1.742 -0.061 4.857 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.759 -0.864 7.829 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.787 -1.036 9.003 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.400 -0.368 9.010 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.801 -1.708 10.209 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.011 -0.623 10.164 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.360 -1.456 10.920 1.00 16.30 N ATOM 0 H HIS A 68 0.532 -0.698 6.470 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.533 -2.702 6.707 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.836 0.194 7.580 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.752 -1.193 8.135 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.758 0.225 8.261 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.606 -2.342 10.550 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.956 -0.181 10.445 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.295 -1.711 5.226 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.335 -1.287 4.237 1.00 3.97 C ATOM 1098 C LEU A 69 -5.583 -0.979 5.013 1.00 5.07 C ATOM 1099 O LEU A 69 -6.106 -1.825 5.699 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.639 -2.356 3.110 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.866 -2.074 2.189 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.728 -0.689 1.537 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.055 -3.247 1.197 1.00 9.96 C ATOM 0 H LEU A 69 -3.545 -2.573 5.711 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.956 -0.418 3.700 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.754 -2.447 2.480 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.789 -3.323 3.590 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.788 -2.028 2.769 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.589 -0.501 0.896 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.680 0.075 2.313 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.817 -0.657 0.939 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.913 -3.046 0.555 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.160 -3.353 0.584 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.225 -4.169 1.752 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.084 0.265 4.873 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.296 0.724 5.443 1.00 6.26 C ATOM 1117 C VAL A 70 -8.164 1.267 4.418 1.00 9.22 C ATOM 1118 O VAL A 70 -7.661 1.888 3.499 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.115 1.729 6.557 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.355 2.328 7.243 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.220 1.171 7.671 1.00 8.54 C ATOM 0 H VAL A 70 -5.607 0.984 4.328 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.757 -0.152 5.899 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.674 2.553 5.996 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.040 3.029 8.016 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.962 2.852 6.504 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.943 1.529 7.695 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.109 1.918 8.457 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.674 0.271 8.086 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.240 0.927 7.262 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.480 1.023 4.535 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.395 1.345 3.438 1.00 16.06 C ATOM 1133 C LEU A 71 -11.193 2.525 3.938 1.00 18.09 C ATOM 1134 O LEU A 71 -11.775 2.511 5.006 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.382 0.272 2.993 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.647 -0.939 2.325 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.685 -1.940 1.793 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.708 -0.510 1.215 1.00 19.57 C ATOM 0 H LEU A 71 -9.922 0.614 5.358 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.777 1.504 2.554 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.954 -0.077 3.853 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.095 0.701 2.288 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.031 -1.414 3.089 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.173 -2.783 1.328 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.300 -2.299 2.618 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.319 -1.449 1.055 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.225 -1.389 0.787 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.273 0.007 0.440 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.949 0.160 1.619 1.00 19.57 H new