USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 734 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 38 LYS NZ :NH3+ -140:sc= -3.15! (180deg=-3.26!) USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= -2.51! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0345 (180deg=-0.386) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 4 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.088) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 6 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.15) USER MOD Single : A 7 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.34) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-8.2!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0789 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 TYR OH : rot -120:sc= 0.982 USER MOD Single : A 27 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 29 TYR OH : rot 57:sc= 0.122 USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -109:sc= 0.937 USER MOD Single : A 36 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.23) USER MOD Single : A 42 SER OG : rot 83:sc= 0.966 USER MOD Single : A 43 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.8!) USER MOD Single : A 44 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.4!) USER MOD Single : A 45 THR OG1 : rot -75:sc= -0.0104 USER MOD Single : A 46 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc=0.000209 USER MOD Single : A 51 GLN : amide:sc= 0.409 K(o=0.41,f=-6!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.933 F(o=-2.5!,f=-0.93) USER MOD Single : A 58 ASN : amide:sc= -9.46! C(o=-9.5!,f=-9.2!) USER MOD Single : A 67 MET CE :methyl -157:sc= -3.92! (180deg=-7.18!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -0.0278 (180deg=-0.551) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0512 F(o=-1.3!,f=-0.051) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= -0.0608 (180deg=-0.535) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.855 9.521 -17.955 1.00 0.00 N ATOM 2 CA MET A 1 24.144 9.518 -16.645 1.00 0.00 C ATOM 3 C MET A 1 22.927 10.442 -16.738 1.00 0.00 C ATOM 4 O MET A 1 22.943 11.560 -16.266 1.00 0.00 O ATOM 5 CB MET A 1 25.099 10.010 -15.555 1.00 0.00 C ATOM 6 CG MET A 1 26.203 8.967 -15.347 1.00 0.00 C ATOM 7 SD MET A 1 27.352 9.534 -14.069 1.00 0.00 S ATOM 8 CE MET A 1 28.613 8.259 -14.320 1.00 0.00 C ATOM 0 H1 MET A 1 25.469 8.684 -18.019 1.00 0.00 H new ATOM 0 H2 MET A 1 24.159 9.500 -18.728 1.00 0.00 H new ATOM 0 H3 MET A 1 25.434 10.382 -18.034 1.00 0.00 H new ATOM 0 HA MET A 1 23.811 8.510 -16.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.535 10.967 -15.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.555 10.173 -14.624 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.764 8.013 -15.056 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.738 8.800 -16.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.435 8.417 -13.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.175 7.276 -14.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.989 8.315 -15.341 1.00 0.00 H new ATOM 20 N GLY A 2 21.877 9.981 -17.363 1.00 0.00 N ATOM 21 CA GLY A 2 20.655 10.826 -17.516 1.00 0.00 C ATOM 22 C GLY A 2 19.991 11.059 -16.159 1.00 0.00 C ATOM 23 O GLY A 2 20.180 10.311 -15.219 1.00 0.00 O ATOM 0 H GLY A 2 21.812 9.051 -17.777 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.921 11.782 -17.966 1.00 0.00 H new ATOM 0 HA3 GLY A 2 19.952 10.340 -18.193 1.00 0.00 H new ATOM 27 N HIS A 3 19.210 12.100 -16.056 1.00 0.00 N ATOM 28 CA HIS A 3 18.521 12.402 -14.770 1.00 0.00 C ATOM 29 C HIS A 3 17.512 11.296 -14.448 1.00 0.00 C ATOM 30 O HIS A 3 17.413 10.846 -13.324 1.00 0.00 O ATOM 31 CB HIS A 3 17.774 13.732 -14.898 1.00 0.00 C ATOM 32 CG HIS A 3 18.763 14.863 -14.942 1.00 0.00 C ATOM 33 ND1 HIS A 3 19.375 15.263 -16.118 1.00 0.00 N ATOM 34 CD2 HIS A 3 19.255 15.688 -13.962 1.00 0.00 C ATOM 35 CE1 HIS A 3 20.194 16.289 -15.819 1.00 0.00 C ATOM 36 NE2 HIS A 3 20.160 16.588 -14.518 1.00 0.00 N ATOM 0 H HIS A 3 19.019 12.758 -16.812 1.00 0.00 H new ATOM 0 HA HIS A 3 19.262 12.463 -13.973 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.165 13.733 -15.802 1.00 0.00 H new ATOM 0 HB3 HIS A 3 17.095 13.862 -14.055 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.982 15.646 -12.918 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.804 16.807 -16.544 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.684 17.318 -14.036 1.00 0.00 H new ATOM 44 N HIS A 4 16.759 10.856 -15.428 1.00 0.00 N ATOM 45 CA HIS A 4 15.742 9.778 -15.187 1.00 0.00 C ATOM 46 C HIS A 4 15.820 8.732 -16.299 1.00 0.00 C ATOM 47 O HIS A 4 15.797 9.048 -17.471 1.00 0.00 O ATOM 48 CB HIS A 4 14.346 10.402 -15.170 1.00 0.00 C ATOM 49 CG HIS A 4 14.258 11.381 -14.033 1.00 0.00 C ATOM 50 ND1 HIS A 4 14.187 10.973 -12.710 1.00 0.00 N ATOM 51 CD2 HIS A 4 14.237 12.753 -14.002 1.00 0.00 C ATOM 52 CE1 HIS A 4 14.127 12.078 -11.946 1.00 0.00 C ATOM 53 NE2 HIS A 4 14.153 13.192 -12.684 1.00 0.00 N ATOM 0 H HIS A 4 16.804 11.197 -16.388 1.00 0.00 H new ATOM 0 HA HIS A 4 15.943 9.296 -14.230 1.00 0.00 H new ATOM 0 HB2 HIS A 4 14.148 10.906 -16.116 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.589 9.626 -15.057 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.279 13.395 -14.869 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.065 12.067 -10.868 1.00 0.00 H new ATOM 0 HE2 HIS A 4 14.119 14.156 -12.353 1.00 0.00 H new ATOM 61 N HIS A 5 15.918 7.486 -15.934 1.00 0.00 N ATOM 62 CA HIS A 5 16.004 6.407 -16.955 1.00 0.00 C ATOM 63 C HIS A 5 14.685 6.317 -17.732 1.00 0.00 C ATOM 64 O HIS A 5 14.673 6.210 -18.942 1.00 0.00 O ATOM 65 CB HIS A 5 16.276 5.078 -16.249 1.00 0.00 C ATOM 66 CG HIS A 5 16.476 3.994 -17.269 1.00 0.00 C ATOM 67 ND1 HIS A 5 17.574 3.968 -18.114 1.00 0.00 N ATOM 68 CD2 HIS A 5 15.733 2.884 -17.583 1.00 0.00 C ATOM 69 CE1 HIS A 5 17.461 2.874 -18.890 1.00 0.00 C ATOM 70 NE2 HIS A 5 16.359 2.178 -18.608 1.00 0.00 N ATOM 0 H HIS A 5 15.942 7.166 -14.966 1.00 0.00 H new ATOM 0 HA HIS A 5 16.811 6.628 -17.654 1.00 0.00 H new ATOM 0 HB2 HIS A 5 17.161 5.165 -15.618 1.00 0.00 H new ATOM 0 HB3 HIS A 5 15.442 4.825 -15.595 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.805 2.601 -17.108 1.00 0.00 H new ATOM 0 HE1 HIS A 5 18.176 2.594 -19.649 1.00 0.00 H new ATOM 0 HE2 HIS A 5 16.042 1.314 -19.048 1.00 0.00 H new ATOM 78 N HIS A 6 13.573 6.354 -17.040 1.00 0.00 N ATOM 79 CA HIS A 6 12.241 6.267 -17.725 1.00 0.00 C ATOM 80 C HIS A 6 11.614 7.661 -17.802 1.00 0.00 C ATOM 81 O HIS A 6 11.917 8.441 -18.684 1.00 0.00 O ATOM 82 CB HIS A 6 11.319 5.347 -16.920 1.00 0.00 C ATOM 83 CG HIS A 6 11.755 3.919 -17.088 1.00 0.00 C ATOM 84 ND1 HIS A 6 11.822 3.042 -16.018 1.00 0.00 N ATOM 85 CD2 HIS A 6 12.137 3.194 -18.192 1.00 0.00 C ATOM 86 CE1 HIS A 6 12.228 1.851 -16.493 1.00 0.00 C ATOM 87 NE2 HIS A 6 12.434 1.888 -17.813 1.00 0.00 N ATOM 0 H HIS A 6 13.528 6.441 -16.025 1.00 0.00 H new ATOM 0 HA HIS A 6 12.375 5.870 -18.731 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.344 5.623 -15.866 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.289 5.465 -17.256 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.197 3.579 -19.199 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.370 0.972 -15.882 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.743 1.124 -18.414 1.00 0.00 H new ATOM 95 N HIS A 7 10.740 7.981 -16.888 1.00 0.00 N ATOM 96 CA HIS A 7 10.094 9.325 -16.912 1.00 0.00 C ATOM 97 C HIS A 7 9.338 9.558 -15.599 1.00 0.00 C ATOM 98 O HIS A 7 8.531 8.749 -15.185 1.00 0.00 O ATOM 99 CB HIS A 7 9.116 9.399 -18.087 1.00 0.00 C ATOM 100 CG HIS A 7 8.426 10.732 -18.077 1.00 0.00 C ATOM 101 ND1 HIS A 7 7.186 10.918 -17.486 1.00 0.00 N ATOM 102 CD2 HIS A 7 8.792 11.959 -18.576 1.00 0.00 C ATOM 103 CE1 HIS A 7 6.853 12.213 -17.644 1.00 0.00 C ATOM 104 NE2 HIS A 7 7.797 12.892 -18.302 1.00 0.00 N ATOM 0 H HIS A 7 10.445 7.371 -16.126 1.00 0.00 H new ATOM 0 HA HIS A 7 10.859 10.092 -17.027 1.00 0.00 H new ATOM 0 HB2 HIS A 7 9.649 9.260 -19.028 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.382 8.596 -18.015 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.712 12.167 -19.101 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.934 12.650 -17.283 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.790 13.881 -18.550 1.00 0.00 H new ATOM 112 N HIS A 8 9.600 10.664 -14.946 1.00 0.00 N ATOM 113 CA HIS A 8 8.912 10.973 -13.651 1.00 0.00 C ATOM 114 C HIS A 8 8.804 9.707 -12.794 1.00 0.00 C ATOM 115 O HIS A 8 7.849 8.963 -12.886 1.00 0.00 O ATOM 116 CB HIS A 8 7.511 11.529 -13.926 1.00 0.00 C ATOM 117 CG HIS A 8 6.880 11.951 -12.626 1.00 0.00 C ATOM 118 ND1 HIS A 8 7.370 13.009 -11.876 1.00 0.00 N ATOM 119 CD2 HIS A 8 5.802 11.464 -11.926 1.00 0.00 C ATOM 120 CE1 HIS A 8 6.596 13.124 -10.780 1.00 0.00 C ATOM 121 NE2 HIS A 8 5.625 12.206 -10.762 1.00 0.00 N ATOM 0 H HIS A 8 10.266 11.372 -15.256 1.00 0.00 H new ATOM 0 HA HIS A 8 9.497 11.718 -13.112 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.571 12.378 -14.607 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.896 10.772 -14.413 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.186 10.632 -12.233 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.742 13.867 -10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.908 12.077 -10.048 1.00 0.00 H new ATOM 129 N SER A 9 9.784 9.462 -11.968 1.00 0.00 N ATOM 130 CA SER A 9 9.757 8.247 -11.101 1.00 0.00 C ATOM 131 C SER A 9 8.691 8.417 -10.014 1.00 0.00 C ATOM 132 O SER A 9 8.418 9.514 -9.569 1.00 0.00 O ATOM 133 CB SER A 9 11.130 8.072 -10.448 1.00 0.00 C ATOM 134 OG SER A 9 12.038 7.535 -11.399 1.00 0.00 O ATOM 0 H SER A 9 10.607 10.054 -11.855 1.00 0.00 H new ATOM 0 HA SER A 9 9.519 7.370 -11.702 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.495 9.031 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.054 7.409 -9.586 1.00 0.00 H new ATOM 0 HG SER A 9 12.919 7.424 -10.984 1.00 0.00 H new ATOM 140 N HIS A 10 8.094 7.334 -9.583 1.00 0.00 N ATOM 141 CA HIS A 10 7.042 7.403 -8.517 1.00 0.00 C ATOM 142 C HIS A 10 7.405 6.439 -7.384 1.00 0.00 C ATOM 143 O HIS A 10 7.595 5.258 -7.598 1.00 0.00 O ATOM 144 CB HIS A 10 5.695 6.993 -9.113 1.00 0.00 C ATOM 145 CG HIS A 10 4.626 7.140 -8.070 1.00 0.00 C ATOM 146 ND1 HIS A 10 4.235 6.084 -7.265 1.00 0.00 N ATOM 147 CD2 HIS A 10 3.859 8.211 -7.683 1.00 0.00 C ATOM 148 CE1 HIS A 10 3.276 6.536 -6.439 1.00 0.00 C ATOM 149 NE2 HIS A 10 3.008 7.827 -6.652 1.00 0.00 N ATOM 0 H HIS A 10 8.291 6.394 -9.927 1.00 0.00 H new ATOM 0 HA HIS A 10 6.980 8.419 -8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.463 7.614 -9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.738 5.962 -9.463 1.00 0.00 H new ATOM 0 HD1 HIS A 10 4.607 5.135 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.909 9.200 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.782 5.929 -5.694 1.00 0.00 H new ATOM 157 N MET A 11 7.498 6.930 -6.181 1.00 0.00 N ATOM 158 CA MET A 11 7.845 6.041 -5.033 1.00 0.00 C ATOM 159 C MET A 11 7.461 6.744 -3.731 1.00 0.00 C ATOM 160 O MET A 11 7.869 7.858 -3.473 1.00 0.00 O ATOM 161 CB MET A 11 9.346 5.746 -5.035 1.00 0.00 C ATOM 162 CG MET A 11 9.668 4.766 -3.906 1.00 0.00 C ATOM 163 SD MET A 11 11.422 4.327 -3.955 1.00 0.00 S ATOM 164 CE MET A 11 11.368 3.082 -2.643 1.00 0.00 C ATOM 0 H MET A 11 7.349 7.910 -5.940 1.00 0.00 H new ATOM 0 HA MET A 11 7.302 5.100 -5.122 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.644 5.324 -5.995 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.910 6.669 -4.903 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.423 5.214 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.057 3.869 -4.006 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.364 2.665 -2.496 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.028 3.544 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.679 2.286 -2.925 1.00 0.00 H new ATOM 174 N LEU A 12 6.671 6.112 -2.914 1.00 0.00 N ATOM 175 CA LEU A 12 6.247 6.755 -1.637 1.00 0.00 C ATOM 176 C LEU A 12 7.346 6.577 -0.574 1.00 0.00 C ATOM 177 O LEU A 12 8.075 5.606 -0.596 1.00 0.00 O ATOM 178 CB LEU A 12 4.950 6.088 -1.168 1.00 0.00 C ATOM 179 CG LEU A 12 3.933 6.059 -2.317 1.00 0.00 C ATOM 180 CD1 LEU A 12 2.592 5.556 -1.781 1.00 0.00 C ATOM 181 CD2 LEU A 12 3.754 7.469 -2.905 1.00 0.00 C ATOM 0 H LEU A 12 6.298 5.176 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 12 6.082 7.822 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.155 5.073 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.537 6.633 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 12 4.295 5.395 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.863 5.532 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.716 4.552 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.240 6.225 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.030 7.434 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.395 8.144 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.710 7.829 -3.285 1.00 0.00 H new ATOM 193 N PRO A 13 7.469 7.507 0.354 1.00 0.00 N ATOM 194 CA PRO A 13 8.504 7.437 1.435 1.00 0.00 C ATOM 195 C PRO A 13 8.259 6.284 2.417 1.00 0.00 C ATOM 196 O PRO A 13 7.198 5.692 2.454 1.00 0.00 O ATOM 197 CB PRO A 13 8.388 8.797 2.148 1.00 0.00 C ATOM 198 CG PRO A 13 6.991 9.246 1.881 1.00 0.00 C ATOM 199 CD PRO A 13 6.650 8.733 0.482 1.00 0.00 C ATOM 0 HA PRO A 13 9.496 7.246 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.576 8.701 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.115 9.511 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.302 8.844 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.913 10.332 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.586 8.517 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.900 9.465 -0.286 1.00 0.00 H new ATOM 207 N LYS A 14 9.249 5.969 3.207 1.00 0.00 N ATOM 208 CA LYS A 14 9.118 4.861 4.194 1.00 0.00 C ATOM 209 C LYS A 14 7.967 5.165 5.157 1.00 0.00 C ATOM 210 O LYS A 14 7.223 4.287 5.549 1.00 0.00 O ATOM 211 CB LYS A 14 10.423 4.755 4.993 1.00 0.00 C ATOM 212 CG LYS A 14 11.605 4.442 4.063 1.00 0.00 C ATOM 213 CD LYS A 14 11.482 3.020 3.498 1.00 0.00 C ATOM 214 CE LYS A 14 12.831 2.578 2.923 1.00 0.00 C ATOM 215 NZ LYS A 14 12.740 1.155 2.495 1.00 0.00 N ATOM 0 H LYS A 14 10.154 6.439 3.210 1.00 0.00 H new ATOM 0 HA LYS A 14 8.918 3.925 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.608 5.690 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.331 3.974 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.634 5.163 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.542 4.543 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.166 2.332 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.717 2.991 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.102 3.208 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.615 2.695 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.654 0.851 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.499 0.561 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.003 1.058 1.768 1.00 0.00 H new ATOM 229 N GLU A 15 7.820 6.399 5.548 1.00 0.00 N ATOM 230 CA GLU A 15 6.727 6.758 6.492 1.00 0.00 C ATOM 231 C GLU A 15 5.376 6.362 5.884 1.00 0.00 C ATOM 232 O GLU A 15 4.600 5.645 6.485 1.00 0.00 O ATOM 233 CB GLU A 15 6.761 8.271 6.729 1.00 0.00 C ATOM 234 CG GLU A 15 5.767 8.655 7.826 1.00 0.00 C ATOM 235 CD GLU A 15 6.280 8.150 9.175 1.00 0.00 C ATOM 236 OE1 GLU A 15 7.405 7.678 9.221 1.00 0.00 O ATOM 237 OE2 GLU A 15 5.543 8.249 10.141 1.00 0.00 O ATOM 0 H GLU A 15 8.411 7.176 5.254 1.00 0.00 H new ATOM 0 HA GLU A 15 6.861 6.231 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.767 8.579 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.517 8.797 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.640 9.737 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.788 8.225 7.612 1.00 0.00 H new ATOM 244 N SER A 16 5.094 6.824 4.698 1.00 0.00 N ATOM 245 CA SER A 16 3.796 6.478 4.049 1.00 0.00 C ATOM 246 C SER A 16 3.715 4.968 3.815 1.00 0.00 C ATOM 247 O SER A 16 2.687 4.352 4.013 1.00 0.00 O ATOM 248 CB SER A 16 3.692 7.213 2.712 1.00 0.00 C ATOM 249 OG SER A 16 3.856 8.607 2.934 1.00 0.00 O ATOM 0 H SER A 16 5.706 7.427 4.148 1.00 0.00 H new ATOM 0 HA SER A 16 2.974 6.779 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.454 6.850 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.725 7.017 2.249 1.00 0.00 H new ATOM 0 HG SER A 16 3.792 9.084 2.080 1.00 0.00 H new ATOM 255 N VAL A 17 4.792 4.373 3.385 1.00 0.00 N ATOM 256 CA VAL A 17 4.789 2.906 3.125 1.00 0.00 C ATOM 257 C VAL A 17 4.549 2.145 4.431 1.00 0.00 C ATOM 258 O VAL A 17 3.799 1.191 4.473 1.00 0.00 O ATOM 259 CB VAL A 17 6.139 2.500 2.526 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.217 0.975 2.409 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.289 3.130 1.137 1.00 0.00 C ATOM 0 H VAL A 17 5.679 4.842 3.201 1.00 0.00 H new ATOM 0 HA VAL A 17 3.990 2.662 2.425 1.00 0.00 H new ATOM 0 HB VAL A 17 6.942 2.850 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.179 0.692 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.113 0.528 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.415 0.618 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.249 2.842 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.484 2.781 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.241 4.216 1.223 1.00 0.00 H new ATOM 271 N GLN A 18 5.187 2.546 5.493 1.00 0.00 N ATOM 272 CA GLN A 18 4.998 1.826 6.784 1.00 0.00 C ATOM 273 C GLN A 18 3.515 1.819 7.162 1.00 0.00 C ATOM 274 O GLN A 18 2.968 0.802 7.544 1.00 0.00 O ATOM 275 CB GLN A 18 5.799 2.533 7.878 1.00 0.00 C ATOM 276 CG GLN A 18 5.662 1.764 9.192 1.00 0.00 C ATOM 277 CD GLN A 18 6.581 2.387 10.243 1.00 0.00 C ATOM 278 OE1 GLN A 18 7.257 3.361 9.976 1.00 0.00 O ATOM 279 NE2 GLN A 18 6.637 1.863 11.436 1.00 0.00 N ATOM 0 H GLN A 18 5.829 3.338 5.525 1.00 0.00 H new ATOM 0 HA GLN A 18 5.346 0.798 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.848 2.597 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.440 3.554 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.628 1.790 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.921 0.716 9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.070 1.046 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.248 2.271 12.144 1.00 0.00 H new ATOM 288 N ILE A 19 2.859 2.941 7.065 1.00 0.00 N ATOM 289 CA ILE A 19 1.414 2.990 7.426 1.00 0.00 C ATOM 290 C ILE A 19 0.609 2.115 6.461 1.00 0.00 C ATOM 291 O ILE A 19 -0.245 1.348 6.862 1.00 0.00 O ATOM 292 CB ILE A 19 0.933 4.442 7.328 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.615 5.269 8.420 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.586 4.500 7.512 1.00 0.00 C ATOM 295 CD1 ILE A 19 1.378 6.756 8.148 1.00 0.00 C ATOM 0 H ILE A 19 3.260 3.825 6.752 1.00 0.00 H new ATOM 0 HA ILE A 19 1.273 2.618 8.441 1.00 0.00 H new ATOM 0 HB ILE A 19 1.187 4.845 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.218 4.998 9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.684 5.057 8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.922 5.535 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.069 3.908 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.850 4.099 8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.862 7.349 8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.795 7.019 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.307 6.960 8.150 1.00 0.00 H new ATOM 307 N LEU A 20 0.879 2.226 5.191 1.00 0.00 N ATOM 308 CA LEU A 20 0.136 1.409 4.191 1.00 0.00 C ATOM 309 C LEU A 20 0.463 -0.074 4.399 1.00 0.00 C ATOM 310 O LEU A 20 -0.394 -0.931 4.306 1.00 0.00 O ATOM 311 CB LEU A 20 0.557 1.839 2.783 1.00 0.00 C ATOM 312 CG LEU A 20 0.099 3.281 2.516 1.00 0.00 C ATOM 313 CD1 LEU A 20 0.759 3.778 1.226 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.434 3.348 2.371 1.00 0.00 C ATOM 0 H LEU A 20 1.585 2.850 4.800 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.937 1.559 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.640 1.768 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.122 1.167 2.043 1.00 0.00 H new ATOM 0 HG LEU A 20 0.392 3.910 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.441 4.801 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.843 3.750 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.463 3.137 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.737 4.378 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.749 2.719 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.902 2.995 3.290 1.00 0.00 H new ATOM 326 N ARG A 21 1.701 -0.379 4.672 1.00 0.00 N ATOM 327 CA ARG A 21 2.105 -1.798 4.880 1.00 0.00 C ATOM 328 C ARG A 21 1.330 -2.383 6.061 1.00 0.00 C ATOM 329 O ARG A 21 0.855 -3.501 6.012 1.00 0.00 O ATOM 330 CB ARG A 21 3.606 -1.853 5.172 1.00 0.00 C ATOM 331 CG ARG A 21 4.057 -3.308 5.294 1.00 0.00 C ATOM 332 CD ARG A 21 5.565 -3.347 5.538 1.00 0.00 C ATOM 333 NE ARG A 21 6.272 -2.841 4.328 1.00 0.00 N ATOM 334 CZ ARG A 21 7.575 -2.765 4.316 1.00 0.00 C ATOM 335 NH1 ARG A 21 8.259 -3.133 5.365 1.00 0.00 N ATOM 336 NH2 ARG A 21 8.192 -2.321 3.256 1.00 0.00 N ATOM 0 H ARG A 21 2.457 0.300 4.761 1.00 0.00 H new ATOM 0 HA ARG A 21 1.884 -2.379 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.159 -1.357 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.826 -1.316 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.531 -3.797 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.809 -3.856 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.821 -2.737 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.883 -4.366 5.760 1.00 0.00 H new ATOM 0 HE ARG A 21 5.737 -2.554 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.775 -3.480 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.277 -3.074 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.656 -2.033 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.210 -2.261 3.246 1.00 0.00 H new ATOM 350 N ASP A 22 1.200 -1.640 7.122 1.00 0.00 N ATOM 351 CA ASP A 22 0.460 -2.156 8.306 1.00 0.00 C ATOM 352 C ASP A 22 -0.972 -2.503 7.894 1.00 0.00 C ATOM 353 O ASP A 22 -1.474 -3.568 8.198 1.00 0.00 O ATOM 354 CB ASP A 22 0.440 -1.082 9.393 1.00 0.00 C ATOM 355 CG ASP A 22 -0.354 -1.582 10.599 1.00 0.00 C ATOM 356 OD1 ASP A 22 -0.653 -2.764 10.635 1.00 0.00 O ATOM 357 OD2 ASP A 22 -0.648 -0.776 11.465 1.00 0.00 O ATOM 0 H ASP A 22 1.574 -0.696 7.221 1.00 0.00 H new ATOM 0 HA ASP A 22 0.951 -3.050 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.459 -0.836 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.008 -0.167 9.005 1.00 0.00 H new ATOM 362 N TRP A 23 -1.630 -1.616 7.203 1.00 0.00 N ATOM 363 CA TRP A 23 -3.026 -1.900 6.768 1.00 0.00 C ATOM 364 C TRP A 23 -3.031 -3.077 5.789 1.00 0.00 C ATOM 365 O TRP A 23 -3.889 -3.936 5.840 1.00 0.00 O ATOM 366 CB TRP A 23 -3.608 -0.658 6.087 1.00 0.00 C ATOM 367 CG TRP A 23 -4.961 -0.975 5.533 1.00 0.00 C ATOM 368 CD1 TRP A 23 -6.124 -0.876 6.216 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.308 -1.440 4.197 1.00 0.00 C ATOM 370 NE1 TRP A 23 -7.163 -1.247 5.385 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.712 -1.602 4.129 1.00 0.00 C ATOM 372 CE3 TRP A 23 -4.550 -1.731 3.048 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -7.341 -2.037 2.962 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -5.181 -2.170 1.873 1.00 0.00 C ATOM 375 CH2 TRP A 23 -6.573 -2.323 1.829 1.00 0.00 C ATOM 0 H TRP A 23 -1.263 -0.707 6.921 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.633 -2.155 7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.680 0.161 6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.946 -0.326 5.288 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.224 -0.559 7.243 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -8.144 -1.257 5.665 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.476 -1.616 3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.414 -2.152 2.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -4.589 -2.391 0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.052 -2.661 0.922 1.00 0.00 H new ATOM 386 N LEU A 24 -2.085 -3.118 4.889 1.00 0.00 N ATOM 387 CA LEU A 24 -2.044 -4.232 3.899 1.00 0.00 C ATOM 388 C LEU A 24 -1.857 -5.563 4.627 1.00 0.00 C ATOM 389 O LEU A 24 -2.491 -6.549 4.308 1.00 0.00 O ATOM 390 CB LEU A 24 -0.872 -4.004 2.931 1.00 0.00 C ATOM 391 CG LEU A 24 -0.756 -5.171 1.936 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.077 -5.359 1.173 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.374 -4.867 0.946 1.00 0.00 C ATOM 0 H LEU A 24 -1.339 -2.428 4.797 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.980 -4.259 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.018 -3.070 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.057 -3.905 3.493 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.539 -6.090 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.978 -6.189 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.878 -5.574 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.313 -4.447 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.466 -5.688 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.149 -3.946 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.312 -4.751 1.489 1.00 0.00 H new ATOM 405 N TYR A 25 -0.986 -5.603 5.593 1.00 0.00 N ATOM 406 CA TYR A 25 -0.748 -6.875 6.332 1.00 0.00 C ATOM 407 C TYR A 25 -2.046 -7.320 7.019 1.00 0.00 C ATOM 408 O TYR A 25 -2.411 -8.479 6.978 1.00 0.00 O ATOM 409 CB TYR A 25 0.356 -6.649 7.382 1.00 0.00 C ATOM 410 CG TYR A 25 1.725 -6.870 6.760 1.00 0.00 C ATOM 411 CD1 TYR A 25 2.033 -6.321 5.504 1.00 0.00 C ATOM 412 CD2 TYR A 25 2.684 -7.630 7.440 1.00 0.00 C ATOM 413 CE1 TYR A 25 3.296 -6.536 4.938 1.00 0.00 C ATOM 414 CE2 TYR A 25 3.944 -7.843 6.872 1.00 0.00 C ATOM 415 CZ TYR A 25 4.250 -7.297 5.621 1.00 0.00 C ATOM 416 OH TYR A 25 5.494 -7.509 5.062 1.00 0.00 O ATOM 0 H TYR A 25 -0.427 -4.809 5.905 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.431 -7.653 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.288 -5.636 7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.215 -7.331 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.297 -5.734 4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.450 -8.053 8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.533 -6.114 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.681 -8.430 7.400 1.00 0.00 H new ATOM 0 HH TYR A 25 5.641 -8.471 4.946 1.00 0.00 H new ATOM 426 N GLU A 26 -2.735 -6.417 7.651 1.00 0.00 N ATOM 427 CA GLU A 26 -3.998 -6.796 8.345 1.00 0.00 C ATOM 428 C GLU A 26 -5.055 -7.198 7.315 1.00 0.00 C ATOM 429 O GLU A 26 -5.824 -8.113 7.529 1.00 0.00 O ATOM 430 CB GLU A 26 -4.503 -5.601 9.160 1.00 0.00 C ATOM 431 CG GLU A 26 -3.493 -5.277 10.264 1.00 0.00 C ATOM 432 CD GLU A 26 -3.422 -6.441 11.256 1.00 0.00 C ATOM 433 OE1 GLU A 26 -4.350 -7.233 11.279 1.00 0.00 O ATOM 434 OE2 GLU A 26 -2.445 -6.515 11.985 1.00 0.00 O ATOM 0 H GLU A 26 -2.481 -5.432 7.719 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.809 -7.640 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.640 -4.736 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.475 -5.829 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.510 -5.097 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.786 -4.363 10.781 1.00 0.00 H new ATOM 441 N HIS A 27 -5.097 -6.523 6.200 1.00 0.00 N ATOM 442 CA HIS A 27 -6.105 -6.855 5.146 1.00 0.00 C ATOM 443 C HIS A 27 -5.435 -7.698 4.058 1.00 0.00 C ATOM 444 O HIS A 27 -5.873 -7.736 2.925 1.00 0.00 O ATOM 445 CB HIS A 27 -6.647 -5.556 4.546 1.00 0.00 C ATOM 446 CG HIS A 27 -7.408 -4.806 5.607 1.00 0.00 C ATOM 447 ND1 HIS A 27 -6.781 -3.954 6.503 1.00 0.00 N ATOM 448 CD2 HIS A 27 -8.742 -4.780 5.937 1.00 0.00 C ATOM 449 CE1 HIS A 27 -7.728 -3.456 7.321 1.00 0.00 C ATOM 450 NE2 HIS A 27 -8.941 -3.928 7.019 1.00 0.00 N ATOM 0 H HIS A 27 -4.473 -5.750 5.969 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.929 -7.421 5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.827 -4.945 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.298 -5.775 3.700 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.784 -3.743 6.537 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.518 -5.337 5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.531 -2.760 8.123 1.00 0.00 H new ATOM 458 N ARG A 28 -4.373 -8.378 4.399 1.00 0.00 N ATOM 459 CA ARG A 28 -3.667 -9.223 3.396 1.00 0.00 C ATOM 460 C ARG A 28 -4.619 -10.303 2.882 1.00 0.00 C ATOM 461 O ARG A 28 -4.718 -10.546 1.694 1.00 0.00 O ATOM 462 CB ARG A 28 -2.463 -9.892 4.069 1.00 0.00 C ATOM 463 CG ARG A 28 -1.665 -10.684 3.035 1.00 0.00 C ATOM 464 CD ARG A 28 -0.443 -11.315 3.709 1.00 0.00 C ATOM 465 NE ARG A 28 -0.892 -12.338 4.697 1.00 0.00 N ATOM 466 CZ ARG A 28 -0.068 -12.762 5.618 1.00 0.00 C ATOM 467 NH1 ARG A 28 1.145 -12.287 5.680 1.00 0.00 N ATOM 468 NH2 ARG A 28 -0.459 -13.664 6.479 1.00 0.00 N ATOM 0 H ARG A 28 -3.964 -8.384 5.333 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.333 -8.605 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.827 -9.137 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.802 -10.555 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.291 -11.459 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.348 -10.028 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.201 -11.776 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.147 -10.547 4.208 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.842 -12.707 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.452 -11.583 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.787 -12.619 6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.407 -14.037 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.184 -13.995 7.198 1.00 0.00 H new ATOM 482 N TYR A 29 -5.320 -10.951 3.770 1.00 0.00 N ATOM 483 CA TYR A 29 -6.270 -12.017 3.343 1.00 0.00 C ATOM 484 C TYR A 29 -7.552 -11.380 2.808 1.00 0.00 C ATOM 485 O TYR A 29 -8.181 -11.891 1.903 1.00 0.00 O ATOM 486 CB TYR A 29 -6.602 -12.909 4.539 1.00 0.00 C ATOM 487 CG TYR A 29 -5.365 -13.668 4.955 1.00 0.00 C ATOM 488 CD1 TYR A 29 -4.932 -14.765 4.200 1.00 0.00 C ATOM 489 CD2 TYR A 29 -4.653 -13.280 6.097 1.00 0.00 C ATOM 490 CE1 TYR A 29 -3.789 -15.475 4.586 1.00 0.00 C ATOM 491 CE2 TYR A 29 -3.509 -13.991 6.483 1.00 0.00 C ATOM 492 CZ TYR A 29 -3.078 -15.087 5.728 1.00 0.00 C ATOM 493 OH TYR A 29 -1.953 -15.790 6.112 1.00 0.00 O ATOM 0 H TYR A 29 -5.276 -10.788 4.776 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.812 -12.617 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.967 -12.303 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.399 -13.605 4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.481 -15.064 3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.985 -12.434 6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.456 -16.321 4.003 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.960 -13.693 7.364 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.306 -15.800 5.376 1.00 0.00 H new ATOM 503 N ASN A 30 -7.947 -10.273 3.369 1.00 0.00 N ATOM 504 CA ASN A 30 -9.197 -9.595 2.913 1.00 0.00 C ATOM 505 C ASN A 30 -8.842 -8.526 1.879 1.00 0.00 C ATOM 506 O ASN A 30 -9.604 -7.611 1.644 1.00 0.00 O ATOM 507 CB ASN A 30 -9.874 -8.932 4.113 1.00 0.00 C ATOM 508 CG ASN A 30 -10.303 -10.005 5.118 1.00 0.00 C ATOM 509 OD1 ASN A 30 -10.534 -11.220 4.702 1.00 0.00 O flip ATOM 510 ND2 ASN A 30 -10.428 -9.734 6.295 1.00 0.00 N flip ATOM 0 H ASN A 30 -7.456 -9.803 4.130 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.872 -10.326 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.189 -8.228 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.741 -8.360 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.248 -8.785 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.713 -10.456 6.957 1.00 0.00 H new ATOM 517 N ALA A 31 -7.683 -8.635 1.272 1.00 0.00 N ATOM 518 CA ALA A 31 -7.247 -7.627 0.250 1.00 0.00 C ATOM 519 C ALA A 31 -8.441 -7.168 -0.595 1.00 0.00 C ATOM 520 O ALA A 31 -9.034 -7.939 -1.322 1.00 0.00 O ATOM 521 CB ALA A 31 -6.195 -8.263 -0.664 1.00 0.00 C ATOM 0 H ALA A 31 -7.014 -9.386 1.442 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.827 -6.762 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.873 -7.536 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.337 -8.576 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.625 -9.130 -1.165 1.00 0.00 H new ATOM 527 N TYR A 32 -8.801 -5.918 -0.493 1.00 0.00 N ATOM 528 CA TYR A 32 -9.960 -5.406 -1.275 1.00 0.00 C ATOM 529 C TYR A 32 -9.884 -3.876 -1.366 1.00 0.00 C ATOM 530 O TYR A 32 -10.858 -3.183 -1.153 1.00 0.00 O ATOM 531 CB TYR A 32 -11.270 -5.843 -0.587 1.00 0.00 C ATOM 532 CG TYR A 32 -11.591 -4.946 0.601 1.00 0.00 C ATOM 533 CD1 TYR A 32 -10.656 -4.771 1.633 1.00 0.00 C ATOM 534 CD2 TYR A 32 -12.827 -4.283 0.663 1.00 0.00 C ATOM 535 CE1 TYR A 32 -10.958 -3.939 2.718 1.00 0.00 C ATOM 536 CE2 TYR A 32 -13.125 -3.452 1.751 1.00 0.00 C ATOM 537 CZ TYR A 32 -12.190 -3.281 2.777 1.00 0.00 C ATOM 538 OH TYR A 32 -12.481 -2.460 3.846 1.00 0.00 O ATOM 0 H TYR A 32 -8.341 -5.228 0.100 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.937 -5.816 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -12.090 -5.809 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.182 -6.877 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.703 -5.278 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -13.549 -4.414 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.237 -3.805 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -14.077 -2.944 1.797 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.377 -2.079 3.732 1.00 0.00 H new ATOM 548 N PRO A 33 -8.730 -3.352 -1.686 1.00 0.00 N ATOM 549 CA PRO A 33 -8.529 -1.877 -1.802 1.00 0.00 C ATOM 550 C PRO A 33 -9.447 -1.285 -2.877 1.00 0.00 C ATOM 551 O PRO A 33 -9.055 -1.094 -4.009 1.00 0.00 O ATOM 552 CB PRO A 33 -7.041 -1.733 -2.184 1.00 0.00 C ATOM 553 CG PRO A 33 -6.642 -3.074 -2.725 1.00 0.00 C ATOM 554 CD PRO A 33 -7.501 -4.098 -1.984 1.00 0.00 C ATOM 0 HA PRO A 33 -8.772 -1.342 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.900 -0.950 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.437 -1.462 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.812 -3.127 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.581 -3.262 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.702 -4.975 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.013 -4.450 -1.075 1.00 0.00 H new ATOM 562 N SER A 34 -10.675 -1.015 -2.524 1.00 0.00 N ATOM 563 CA SER A 34 -11.648 -0.458 -3.510 1.00 0.00 C ATOM 564 C SER A 34 -11.594 1.071 -3.509 1.00 0.00 C ATOM 565 O SER A 34 -10.728 1.679 -2.910 1.00 0.00 O ATOM 566 CB SER A 34 -13.058 -0.915 -3.138 1.00 0.00 C ATOM 567 OG SER A 34 -13.626 0.015 -2.227 1.00 0.00 O ATOM 0 H SER A 34 -11.050 -1.158 -1.586 1.00 0.00 H new ATOM 0 HA SER A 34 -11.389 -0.818 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.677 -0.990 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.025 -1.908 -2.689 1.00 0.00 H new ATOM 0 HG SER A 34 -13.679 -0.390 -1.336 1.00 0.00 H new ATOM 573 N GLU A 35 -12.519 1.688 -4.189 1.00 0.00 N ATOM 574 CA GLU A 35 -12.547 3.176 -4.256 1.00 0.00 C ATOM 575 C GLU A 35 -12.655 3.759 -2.845 1.00 0.00 C ATOM 576 O GLU A 35 -11.998 4.727 -2.512 1.00 0.00 O ATOM 577 CB GLU A 35 -13.767 3.607 -5.076 1.00 0.00 C ATOM 578 CG GLU A 35 -13.634 3.090 -6.512 1.00 0.00 C ATOM 579 CD GLU A 35 -12.450 3.775 -7.197 1.00 0.00 C ATOM 580 OE1 GLU A 35 -12.036 4.817 -6.718 1.00 0.00 O ATOM 581 OE2 GLU A 35 -11.978 3.245 -8.190 1.00 0.00 O ATOM 0 H GLU A 35 -13.264 1.221 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.631 3.539 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.678 3.217 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.851 4.694 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.490 2.010 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.552 3.287 -7.067 1.00 0.00 H new ATOM 588 N GLN A 36 -13.487 3.189 -2.015 1.00 0.00 N ATOM 589 CA GLN A 36 -13.643 3.720 -0.628 1.00 0.00 C ATOM 590 C GLN A 36 -12.378 3.441 0.187 1.00 0.00 C ATOM 591 O GLN A 36 -11.920 4.274 0.946 1.00 0.00 O ATOM 592 CB GLN A 36 -14.844 3.041 0.037 1.00 0.00 C ATOM 593 CG GLN A 36 -15.170 3.742 1.358 1.00 0.00 C ATOM 594 CD GLN A 36 -15.716 5.141 1.070 1.00 0.00 C ATOM 595 OE1 GLN A 36 -15.232 6.119 1.604 1.00 0.00 O ATOM 596 NE2 GLN A 36 -16.711 5.278 0.237 1.00 0.00 N ATOM 0 H GLN A 36 -14.066 2.379 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.804 4.797 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.708 3.077 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.624 1.989 0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.903 3.162 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.275 3.809 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.117 4.457 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.082 6.206 0.034 1.00 0.00 H new ATOM 605 N GLU A 37 -11.817 2.272 0.045 1.00 0.00 N ATOM 606 CA GLU A 37 -10.587 1.928 0.816 1.00 0.00 C ATOM 607 C GLU A 37 -9.428 2.822 0.368 1.00 0.00 C ATOM 608 O GLU A 37 -8.674 3.327 1.178 1.00 0.00 O ATOM 609 CB GLU A 37 -10.229 0.458 0.566 1.00 0.00 C ATOM 610 CG GLU A 37 -11.161 -0.450 1.377 1.00 0.00 C ATOM 611 CD GLU A 37 -12.581 -0.363 0.812 1.00 0.00 C ATOM 612 OE1 GLU A 37 -12.830 -0.976 -0.213 1.00 0.00 O ATOM 613 OE2 GLU A 37 -13.396 0.313 1.418 1.00 0.00 O ATOM 0 H GLU A 37 -12.158 1.537 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.769 2.085 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.317 0.229 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.192 0.274 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.806 -1.480 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.157 -0.150 2.425 1.00 0.00 H new ATOM 620 N LYS A 38 -9.278 3.020 -0.912 1.00 0.00 N ATOM 621 CA LYS A 38 -8.163 3.881 -1.402 1.00 0.00 C ATOM 622 C LYS A 38 -8.349 5.306 -0.889 1.00 0.00 C ATOM 623 O LYS A 38 -7.405 5.961 -0.495 1.00 0.00 O ATOM 624 CB LYS A 38 -8.141 3.876 -2.932 1.00 0.00 C ATOM 625 CG LYS A 38 -7.665 2.511 -3.426 1.00 0.00 C ATOM 626 CD LYS A 38 -7.634 2.506 -4.955 1.00 0.00 C ATOM 627 CE LYS A 38 -7.066 1.175 -5.455 1.00 0.00 C ATOM 628 NZ LYS A 38 -6.671 1.311 -6.885 1.00 0.00 N ATOM 0 H LYS A 38 -9.876 2.625 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.216 3.490 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.136 4.090 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.479 4.660 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.673 2.295 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.331 1.728 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.639 2.655 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.024 3.333 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.204 0.886 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.810 0.386 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.931 0.446 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.162 2.126 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.643 1.456 -6.949 1.00 0.00 H new ATOM 642 N ALA A 39 -9.554 5.798 -0.889 1.00 0.00 N ATOM 643 CA ALA A 39 -9.786 7.184 -0.402 1.00 0.00 C ATOM 644 C ALA A 39 -9.379 7.286 1.071 1.00 0.00 C ATOM 645 O ALA A 39 -8.739 8.232 1.483 1.00 0.00 O ATOM 646 CB ALA A 39 -11.270 7.529 -0.543 1.00 0.00 C ATOM 0 H ALA A 39 -10.387 5.302 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.190 7.880 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.443 8.545 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.562 7.457 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.863 6.831 0.048 1.00 0.00 H new ATOM 652 N LEU A 40 -9.754 6.322 1.869 1.00 0.00 N ATOM 653 CA LEU A 40 -9.394 6.370 3.313 1.00 0.00 C ATOM 654 C LEU A 40 -7.868 6.324 3.458 1.00 0.00 C ATOM 655 O LEU A 40 -7.273 7.116 4.162 1.00 0.00 O ATOM 656 CB LEU A 40 -10.026 5.157 4.012 1.00 0.00 C ATOM 657 CG LEU A 40 -10.169 5.413 5.518 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.915 4.234 6.148 1.00 0.00 C ATOM 659 CD2 LEU A 40 -8.783 5.564 6.169 1.00 0.00 C ATOM 0 H LEU A 40 -10.293 5.505 1.582 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.763 7.290 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.005 4.950 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.410 4.273 3.845 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.726 6.336 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.024 4.403 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.901 4.143 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.352 3.316 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.901 5.745 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.208 4.650 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.257 6.404 5.714 1.00 0.00 H new ATOM 671 N LEU A 41 -7.232 5.404 2.787 1.00 0.00 N ATOM 672 CA LEU A 41 -5.749 5.297 2.873 1.00 0.00 C ATOM 673 C LEU A 41 -5.106 6.550 2.271 1.00 0.00 C ATOM 674 O LEU A 41 -4.146 7.080 2.795 1.00 0.00 O ATOM 675 CB LEU A 41 -5.292 4.055 2.102 1.00 0.00 C ATOM 676 CG LEU A 41 -5.793 2.787 2.814 1.00 0.00 C ATOM 677 CD1 LEU A 41 -5.524 1.576 1.917 1.00 0.00 C ATOM 678 CD2 LEU A 41 -5.075 2.605 4.169 1.00 0.00 C ATOM 0 H LEU A 41 -7.679 4.718 2.179 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.446 5.211 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.676 4.087 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.204 4.039 2.032 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.862 2.881 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.876 0.671 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.051 1.700 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.454 1.494 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.443 1.703 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.001 2.516 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.273 3.468 4.805 1.00 0.00 H new ATOM 690 N SER A 42 -5.628 7.025 1.174 1.00 0.00 N ATOM 691 CA SER A 42 -5.050 8.241 0.533 1.00 0.00 C ATOM 692 C SER A 42 -5.118 9.418 1.508 1.00 0.00 C ATOM 693 O SER A 42 -4.187 10.192 1.627 1.00 0.00 O ATOM 694 CB SER A 42 -5.849 8.570 -0.730 1.00 0.00 C ATOM 695 OG SER A 42 -5.714 7.504 -1.659 1.00 0.00 O ATOM 0 H SER A 42 -6.432 6.623 0.692 1.00 0.00 H new ATOM 0 HA SER A 42 -4.009 8.057 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.899 8.721 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.489 9.500 -1.170 1.00 0.00 H new ATOM 0 HG SER A 42 -6.358 6.798 -1.442 1.00 0.00 H new ATOM 701 N GLN A 43 -6.210 9.561 2.206 1.00 0.00 N ATOM 702 CA GLN A 43 -6.336 10.691 3.168 1.00 0.00 C ATOM 703 C GLN A 43 -5.316 10.524 4.296 1.00 0.00 C ATOM 704 O GLN A 43 -4.719 11.480 4.752 1.00 0.00 O ATOM 705 CB GLN A 43 -7.749 10.704 3.752 1.00 0.00 C ATOM 706 CG GLN A 43 -7.891 11.884 4.714 1.00 0.00 C ATOM 707 CD GLN A 43 -9.350 12.007 5.153 1.00 0.00 C ATOM 708 OE1 GLN A 43 -10.232 11.442 4.537 1.00 0.00 O ATOM 709 NE2 GLN A 43 -9.644 12.732 6.197 1.00 0.00 N ATOM 0 H GLN A 43 -7.021 8.944 2.152 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.147 11.631 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.484 10.783 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.947 9.768 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.249 11.739 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.567 12.805 4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.903 13.206 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.615 12.825 6.497 1.00 0.00 H new ATOM 718 N GLN A 44 -5.111 9.319 4.750 1.00 0.00 N ATOM 719 CA GLN A 44 -4.131 9.092 5.849 1.00 0.00 C ATOM 720 C GLN A 44 -2.731 9.463 5.368 1.00 0.00 C ATOM 721 O GLN A 44 -1.950 10.047 6.092 1.00 0.00 O ATOM 722 CB GLN A 44 -4.159 7.620 6.256 1.00 0.00 C ATOM 723 CG GLN A 44 -5.483 7.314 6.952 1.00 0.00 C ATOM 724 CD GLN A 44 -5.546 5.824 7.281 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.545 4.994 6.395 1.00 0.00 O ATOM 726 NE2 GLN A 44 -5.600 5.445 8.529 1.00 0.00 N ATOM 0 H GLN A 44 -5.580 8.481 4.407 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.394 9.712 6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.042 6.986 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.325 7.399 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.573 7.904 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.318 7.592 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.601 6.142 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.641 4.452 8.759 1.00 0.00 H new ATOM 735 N THR A 45 -2.408 9.135 4.150 1.00 0.00 N ATOM 736 CA THR A 45 -1.058 9.473 3.613 1.00 0.00 C ATOM 737 C THR A 45 -1.139 10.816 2.887 1.00 0.00 C ATOM 738 O THR A 45 -0.141 11.363 2.465 1.00 0.00 O ATOM 739 CB THR A 45 -0.621 8.384 2.632 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.431 8.450 1.466 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.776 7.013 3.291 1.00 0.00 C ATOM 0 H THR A 45 -3.022 8.645 3.499 1.00 0.00 H new ATOM 0 HA THR A 45 -0.335 9.538 4.426 1.00 0.00 H new ATOM 0 HB THR A 45 0.423 8.535 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.315 8.075 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.465 6.236 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.155 6.967 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.819 6.857 3.566 1.00 0.00 H new ATOM 749 N HIS A 46 -2.328 11.345 2.746 1.00 0.00 N ATOM 750 CA HIS A 46 -2.498 12.653 2.046 1.00 0.00 C ATOM 751 C HIS A 46 -1.968 12.532 0.615 1.00 0.00 C ATOM 752 O HIS A 46 -1.644 13.512 -0.024 1.00 0.00 O ATOM 753 CB HIS A 46 -1.734 13.753 2.795 1.00 0.00 C ATOM 754 CG HIS A 46 -2.072 15.095 2.205 1.00 0.00 C ATOM 755 ND1 HIS A 46 -1.273 15.704 1.250 1.00 0.00 N ATOM 756 CD2 HIS A 46 -3.114 15.962 2.429 1.00 0.00 C ATOM 757 CE1 HIS A 46 -1.841 16.883 0.937 1.00 0.00 C ATOM 758 NE2 HIS A 46 -2.967 17.089 1.626 1.00 0.00 N ATOM 0 H HIS A 46 -3.192 10.924 3.088 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.556 12.916 2.022 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.994 13.734 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.661 13.575 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.924 15.794 3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.436 17.578 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.586 17.898 1.575 1.00 0.00 H new ATOM 766 N LEU A 47 -1.875 11.328 0.108 1.00 0.00 N ATOM 767 CA LEU A 47 -1.366 11.128 -1.284 1.00 0.00 C ATOM 768 C LEU A 47 -2.541 11.051 -2.257 1.00 0.00 C ATOM 769 O LEU A 47 -3.678 10.873 -1.868 1.00 0.00 O ATOM 770 CB LEU A 47 -0.568 9.825 -1.354 1.00 0.00 C ATOM 771 CG LEU A 47 0.624 9.889 -0.395 1.00 0.00 C ATOM 772 CD1 LEU A 47 1.364 8.551 -0.431 1.00 0.00 C ATOM 773 CD2 LEU A 47 1.580 11.025 -0.804 1.00 0.00 C ATOM 0 H LEU A 47 -2.131 10.472 0.600 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.725 11.967 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.209 8.982 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.217 9.658 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 47 0.264 10.086 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.215 8.587 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.688 7.753 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.717 8.358 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.422 11.058 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.947 10.846 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.049 11.976 -0.774 1.00 0.00 H new ATOM 785 N SER A 48 -2.270 11.192 -3.522 1.00 0.00 N ATOM 786 CA SER A 48 -3.358 11.138 -4.536 1.00 0.00 C ATOM 787 C SER A 48 -3.803 9.689 -4.756 1.00 0.00 C ATOM 788 O SER A 48 -3.052 8.756 -4.553 1.00 0.00 O ATOM 789 CB SER A 48 -2.841 11.715 -5.854 1.00 0.00 C ATOM 790 OG SER A 48 -2.805 13.131 -5.761 1.00 0.00 O ATOM 0 H SER A 48 -1.335 11.343 -3.901 1.00 0.00 H new ATOM 0 HA SER A 48 -4.209 11.720 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.845 11.327 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.487 11.409 -6.677 1.00 0.00 H new ATOM 0 HG SER A 48 -2.472 13.506 -6.603 1.00 0.00 H new ATOM 796 N THR A 49 -5.019 9.507 -5.186 1.00 0.00 N ATOM 797 CA THR A 49 -5.531 8.132 -5.443 1.00 0.00 C ATOM 798 C THR A 49 -4.693 7.481 -6.544 1.00 0.00 C ATOM 799 O THR A 49 -4.370 6.309 -6.488 1.00 0.00 O ATOM 800 CB THR A 49 -6.991 8.213 -5.897 1.00 0.00 C ATOM 801 OG1 THR A 49 -7.710 9.066 -5.018 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.617 6.818 -5.880 1.00 0.00 C ATOM 0 H THR A 49 -5.685 10.257 -5.372 1.00 0.00 H new ATOM 0 HA THR A 49 -5.464 7.538 -4.532 1.00 0.00 H new ATOM 0 HB THR A 49 -7.033 8.612 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.645 9.121 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.656 6.881 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.066 6.164 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.576 6.413 -4.869 1.00 0.00 H new ATOM 810 N LEU A 50 -4.358 8.231 -7.559 1.00 0.00 N ATOM 811 CA LEU A 50 -3.562 7.666 -8.685 1.00 0.00 C ATOM 812 C LEU A 50 -2.213 7.168 -8.143 1.00 0.00 C ATOM 813 O LEU A 50 -1.745 6.102 -8.493 1.00 0.00 O ATOM 814 CB LEU A 50 -3.339 8.778 -9.730 1.00 0.00 C ATOM 815 CG LEU A 50 -3.201 8.178 -11.140 1.00 0.00 C ATOM 816 CD1 LEU A 50 -2.110 7.100 -11.146 1.00 0.00 C ATOM 817 CD2 LEU A 50 -4.550 7.570 -11.599 1.00 0.00 C ATOM 0 H LEU A 50 -4.603 9.216 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.087 6.831 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.174 9.478 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.441 9.344 -9.481 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.921 8.971 -11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.019 6.680 -12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.159 7.543 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.376 6.309 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.438 7.149 -12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.850 6.784 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.313 8.348 -11.617 1.00 0.00 H new ATOM 829 N GLN A 51 -1.595 7.931 -7.285 1.00 0.00 N ATOM 830 CA GLN A 51 -0.285 7.508 -6.715 1.00 0.00 C ATOM 831 C GLN A 51 -0.476 6.222 -5.908 1.00 0.00 C ATOM 832 O GLN A 51 0.330 5.315 -5.966 1.00 0.00 O ATOM 833 CB GLN A 51 0.242 8.616 -5.800 1.00 0.00 C ATOM 834 CG GLN A 51 0.629 9.831 -6.648 1.00 0.00 C ATOM 835 CD GLN A 51 1.059 10.970 -5.728 1.00 0.00 C ATOM 836 OE1 GLN A 51 0.272 11.462 -4.944 1.00 0.00 O ATOM 837 NE2 GLN A 51 2.283 11.419 -5.791 1.00 0.00 N ATOM 0 H GLN A 51 -1.941 8.831 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 51 0.429 7.327 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.519 8.894 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.106 8.260 -5.239 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.440 9.571 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.215 10.144 -7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.944 11.006 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.578 12.182 -5.182 1.00 0.00 H new ATOM 846 N VAL A 52 -1.541 6.135 -5.163 1.00 0.00 N ATOM 847 CA VAL A 52 -1.792 4.908 -4.355 1.00 0.00 C ATOM 848 C VAL A 52 -2.015 3.713 -5.289 1.00 0.00 C ATOM 849 O VAL A 52 -1.502 2.633 -5.065 1.00 0.00 O ATOM 850 CB VAL A 52 -3.033 5.125 -3.487 1.00 0.00 C ATOM 851 CG1 VAL A 52 -3.398 3.820 -2.772 1.00 0.00 C ATOM 852 CG2 VAL A 52 -2.735 6.213 -2.451 1.00 0.00 C ATOM 0 H VAL A 52 -2.251 6.862 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.931 4.705 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.869 5.434 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.282 3.978 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.605 3.046 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.567 3.506 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.615 6.373 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.900 5.900 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.478 7.141 -2.962 1.00 0.00 H new ATOM 862 N CYS A 53 -2.784 3.895 -6.326 1.00 0.00 N ATOM 863 CA CYS A 53 -3.052 2.770 -7.269 1.00 0.00 C ATOM 864 C CYS A 53 -1.729 2.209 -7.804 1.00 0.00 C ATOM 865 O CYS A 53 -1.479 1.022 -7.746 1.00 0.00 O ATOM 866 CB CYS A 53 -3.921 3.289 -8.427 1.00 0.00 C ATOM 867 SG CYS A 53 -5.029 1.976 -8.997 1.00 0.00 S ATOM 0 H CYS A 53 -3.240 4.776 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.579 1.969 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.502 4.151 -8.100 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.287 3.624 -9.248 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.762 2.421 -9.974 1.00 0.00 H new ATOM 873 N ASN A 54 -0.886 3.054 -8.324 1.00 0.00 N ATOM 874 CA ASN A 54 0.416 2.571 -8.866 1.00 0.00 C ATOM 875 C ASN A 54 1.250 1.970 -7.731 1.00 0.00 C ATOM 876 O ASN A 54 1.883 0.943 -7.889 1.00 0.00 O ATOM 877 CB ASN A 54 1.164 3.754 -9.491 1.00 0.00 C ATOM 878 CG ASN A 54 0.563 4.071 -10.863 1.00 0.00 C ATOM 879 OD1 ASN A 54 -0.539 4.768 -10.936 1.00 0.00 O flip ATOM 880 ND2 ASN A 54 1.096 3.671 -11.879 1.00 0.00 N flip ATOM 0 H ASN A 54 -1.041 4.059 -8.398 1.00 0.00 H new ATOM 0 HA ASN A 54 0.243 1.807 -9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.094 4.626 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.223 3.516 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.957 3.127 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.683 3.880 -12.788 1.00 0.00 H new ATOM 887 N TRP A 55 1.254 2.598 -6.590 1.00 0.00 N ATOM 888 CA TRP A 55 2.047 2.064 -5.448 1.00 0.00 C ATOM 889 C TRP A 55 1.540 0.665 -5.084 1.00 0.00 C ATOM 890 O TRP A 55 2.309 -0.232 -4.807 1.00 0.00 O ATOM 891 CB TRP A 55 1.899 3.001 -4.247 1.00 0.00 C ATOM 892 CG TRP A 55 2.522 2.377 -3.042 1.00 0.00 C ATOM 893 CD1 TRP A 55 3.821 2.502 -2.682 1.00 0.00 C ATOM 894 CD2 TRP A 55 1.901 1.520 -2.045 1.00 0.00 C ATOM 895 NE1 TRP A 55 4.031 1.787 -1.519 1.00 0.00 N ATOM 896 CE2 TRP A 55 2.878 1.162 -1.088 1.00 0.00 C ATOM 897 CE3 TRP A 55 0.595 1.027 -1.880 1.00 0.00 C ATOM 898 CZ2 TRP A 55 2.569 0.341 -0.003 1.00 0.00 C ATOM 899 CZ3 TRP A 55 0.281 0.201 -0.789 1.00 0.00 C ATOM 900 CH2 TRP A 55 1.267 -0.141 0.147 1.00 0.00 C ATOM 0 H TRP A 55 0.742 3.459 -6.398 1.00 0.00 H new ATOM 0 HA TRP A 55 3.099 2.001 -5.728 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.375 3.958 -4.460 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.845 3.204 -4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.570 3.068 -3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.928 1.728 -1.038 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.171 1.285 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.332 0.080 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.725 -0.173 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.020 -0.777 0.984 1.00 0.00 H new ATOM 911 N PHE A 56 0.253 0.478 -5.075 1.00 0.00 N ATOM 912 CA PHE A 56 -0.308 -0.856 -4.719 1.00 0.00 C ATOM 913 C PHE A 56 0.183 -1.914 -5.713 1.00 0.00 C ATOM 914 O PHE A 56 0.537 -3.015 -5.336 1.00 0.00 O ATOM 915 CB PHE A 56 -1.835 -0.785 -4.752 1.00 0.00 C ATOM 916 CG PHE A 56 -2.413 -2.094 -4.270 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.343 -2.430 -2.913 1.00 0.00 C ATOM 918 CD2 PHE A 56 -3.019 -2.969 -5.178 1.00 0.00 C ATOM 919 CE1 PHE A 56 -2.882 -3.642 -2.465 1.00 0.00 C ATOM 920 CE2 PHE A 56 -3.557 -4.179 -4.731 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.488 -4.517 -3.373 1.00 0.00 C ATOM 0 H PHE A 56 -0.439 1.193 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 56 0.024 -1.132 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.185 0.033 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.178 -0.576 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.874 -1.755 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.071 -2.709 -6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.830 -3.902 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.026 -4.853 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.902 -5.453 -3.027 1.00 0.00 H new ATOM 931 N ILE A 57 0.185 -1.601 -6.980 1.00 0.00 N ATOM 932 CA ILE A 57 0.626 -2.602 -7.995 1.00 0.00 C ATOM 933 C ILE A 57 2.069 -3.038 -7.720 1.00 0.00 C ATOM 934 O ILE A 57 2.370 -4.215 -7.682 1.00 0.00 O ATOM 935 CB ILE A 57 0.560 -1.955 -9.382 1.00 0.00 C ATOM 936 CG1 ILE A 57 -0.898 -1.619 -9.722 1.00 0.00 C ATOM 937 CG2 ILE A 57 1.126 -2.915 -10.435 1.00 0.00 C ATOM 938 CD1 ILE A 57 -0.955 -0.774 -11.001 1.00 0.00 C ATOM 0 H ILE A 57 -0.099 -0.697 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.025 -3.475 -7.946 1.00 0.00 H new ATOM 0 HB ILE A 57 1.153 -1.041 -9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.470 -2.537 -9.857 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.357 -1.076 -8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.075 -2.447 -11.418 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.164 -3.146 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.541 -3.835 -10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.993 -0.539 -11.236 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.399 0.151 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.513 -1.333 -11.826 1.00 0.00 H new ATOM 950 N ASN A 58 2.966 -2.110 -7.539 1.00 0.00 N ATOM 951 CA ASN A 58 4.386 -2.494 -7.284 1.00 0.00 C ATOM 952 C ASN A 58 4.547 -2.949 -5.832 1.00 0.00 C ATOM 953 O ASN A 58 5.242 -3.905 -5.541 1.00 0.00 O ATOM 954 CB ASN A 58 5.289 -1.287 -7.548 1.00 0.00 C ATOM 955 CG ASN A 58 4.739 -0.072 -6.804 1.00 0.00 C ATOM 956 OD1 ASN A 58 4.249 0.858 -7.416 1.00 0.00 O ATOM 957 ND2 ASN A 58 4.795 -0.039 -5.501 1.00 0.00 N ATOM 0 H ASN A 58 2.781 -1.107 -7.556 1.00 0.00 H new ATOM 0 HA ASN A 58 4.666 -3.313 -7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.306 -1.500 -7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.337 -1.082 -8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.428 0.767 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.206 -0.819 -4.988 1.00 0.00 H new ATOM 964 N ALA A 59 3.916 -2.270 -4.921 1.00 0.00 N ATOM 965 CA ALA A 59 4.031 -2.652 -3.489 1.00 0.00 C ATOM 966 C ALA A 59 3.539 -4.084 -3.303 1.00 0.00 C ATOM 967 O ALA A 59 4.187 -4.896 -2.673 1.00 0.00 O ATOM 968 CB ALA A 59 3.175 -1.709 -2.649 1.00 0.00 C ATOM 0 H ALA A 59 3.322 -1.462 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 59 5.072 -2.583 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.255 -1.984 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.523 -0.685 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.134 -1.783 -2.965 1.00 0.00 H new ATOM 974 N ARG A 60 2.397 -4.402 -3.842 1.00 0.00 N ATOM 975 CA ARG A 60 1.869 -5.782 -3.689 1.00 0.00 C ATOM 976 C ARG A 60 2.819 -6.776 -4.353 1.00 0.00 C ATOM 977 O ARG A 60 3.133 -7.811 -3.801 1.00 0.00 O ATOM 978 CB ARG A 60 0.489 -5.870 -4.346 1.00 0.00 C ATOM 979 CG ARG A 60 -0.092 -7.270 -4.142 1.00 0.00 C ATOM 980 CD ARG A 60 -1.517 -7.312 -4.699 1.00 0.00 C ATOM 981 NE ARG A 60 -1.490 -7.024 -6.163 1.00 0.00 N ATOM 982 CZ ARG A 60 -1.274 -7.985 -7.022 1.00 0.00 C ATOM 983 NH1 ARG A 60 -1.061 -9.201 -6.599 1.00 0.00 N ATOM 984 NH2 ARG A 60 -1.269 -7.728 -8.302 1.00 0.00 N ATOM 0 H ARG A 60 1.808 -3.767 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 60 1.785 -6.024 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.178 -5.123 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.568 -5.650 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.529 -8.011 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.096 -7.524 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.960 -8.291 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.141 -6.580 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.641 -6.072 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.063 -9.401 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.892 -9.952 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.434 -6.777 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.100 -8.478 -8.972 1.00 0.00 H new ATOM 998 N ARG A 61 3.282 -6.469 -5.533 1.00 0.00 N ATOM 999 CA ARG A 61 4.208 -7.402 -6.236 1.00 0.00 C ATOM 1000 C ARG A 61 5.549 -7.459 -5.502 1.00 0.00 C ATOM 1001 O ARG A 61 6.387 -8.283 -5.802 1.00 0.00 O ATOM 1002 CB ARG A 61 4.425 -6.918 -7.672 1.00 0.00 C ATOM 1003 CG ARG A 61 3.137 -7.108 -8.477 1.00 0.00 C ATOM 1004 CD ARG A 61 3.321 -6.521 -9.878 1.00 0.00 C ATOM 1005 NE ARG A 61 4.379 -7.284 -10.599 1.00 0.00 N ATOM 1006 CZ ARG A 61 4.788 -6.881 -11.773 1.00 0.00 C ATOM 1007 NH1 ARG A 61 4.266 -5.817 -12.318 1.00 0.00 N ATOM 1008 NH2 ARG A 61 5.720 -7.546 -12.402 1.00 0.00 N ATOM 0 H ARG A 61 3.060 -5.613 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 61 3.770 -8.400 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.715 -5.867 -7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.241 -7.474 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.890 -8.168 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.304 -6.618 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.383 -6.568 -10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.598 -5.469 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 61 4.783 -8.120 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.537 -5.298 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.586 -5.504 -13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.128 -8.379 -11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.040 -7.233 -13.318 1.00 0.00 H new ATOM 1022 N ARG A 62 5.762 -6.583 -4.553 1.00 0.00 N ATOM 1023 CA ARG A 62 7.057 -6.575 -3.793 1.00 0.00 C ATOM 1024 C ARG A 62 6.836 -7.089 -2.361 1.00 0.00 C ATOM 1025 O ARG A 62 7.748 -7.586 -1.729 1.00 0.00 O ATOM 1026 CB ARG A 62 7.594 -5.142 -3.739 1.00 0.00 C ATOM 1027 CG ARG A 62 8.961 -5.130 -3.053 1.00 0.00 C ATOM 1028 CD ARG A 62 9.526 -3.709 -3.060 1.00 0.00 C ATOM 1029 NE ARG A 62 10.913 -3.726 -2.504 1.00 0.00 N ATOM 1030 CZ ARG A 62 11.937 -3.944 -3.288 1.00 0.00 C ATOM 1031 NH1 ARG A 62 11.755 -4.160 -4.563 1.00 0.00 N ATOM 1032 NH2 ARG A 62 13.145 -3.950 -2.793 1.00 0.00 N ATOM 0 H ARG A 62 5.093 -5.868 -4.268 1.00 0.00 H new ATOM 0 HA ARG A 62 7.772 -7.226 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.679 -4.737 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.898 -4.503 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.868 -5.490 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.644 -5.806 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.534 -3.314 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.892 -3.050 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 62 11.062 -3.567 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.812 -4.159 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.556 -4.330 -5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.289 -3.785 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.945 -4.120 -3.402 1.00 0.00 H new ATOM 1046 N LEU A 63 5.648 -6.944 -1.833 1.00 0.00 N ATOM 1047 CA LEU A 63 5.383 -7.391 -0.425 1.00 0.00 C ATOM 1048 C LEU A 63 4.756 -8.793 -0.392 1.00 0.00 C ATOM 1049 O LEU A 63 5.316 -9.717 0.166 1.00 0.00 O ATOM 1050 CB LEU A 63 4.405 -6.412 0.227 1.00 0.00 C ATOM 1051 CG LEU A 63 5.051 -5.028 0.366 1.00 0.00 C ATOM 1052 CD1 LEU A 63 3.985 -4.030 0.830 1.00 0.00 C ATOM 1053 CD2 LEU A 63 6.205 -5.073 1.390 1.00 0.00 C ATOM 0 H LEU A 63 4.847 -6.535 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 63 6.332 -7.418 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.498 -6.339 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.109 -6.783 1.208 1.00 0.00 H new ATOM 0 HG LEU A 63 5.457 -4.720 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.432 -3.041 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.180 -3.990 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.583 -4.348 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.653 -4.083 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.818 -5.383 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.960 -5.785 1.056 1.00 0.00 H new ATOM 1065 N LEU A 64 3.585 -8.940 -0.954 1.00 0.00 N ATOM 1066 CA LEU A 64 2.885 -10.262 -0.933 1.00 0.00 C ATOM 1067 C LEU A 64 3.871 -11.428 -1.154 1.00 0.00 C ATOM 1068 O LEU A 64 3.976 -12.291 -0.312 1.00 0.00 O ATOM 1069 CB LEU A 64 1.776 -10.269 -2.010 1.00 0.00 C ATOM 1070 CG LEU A 64 0.430 -9.820 -1.410 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.090 -10.864 -0.396 1.00 0.00 C ATOM 1072 CD2 LEU A 64 0.604 -8.451 -0.721 1.00 0.00 C ATOM 0 H LEU A 64 3.078 -8.195 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 64 2.436 -10.404 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.054 -9.606 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.677 -11.270 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.302 -9.731 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.041 -10.528 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.230 -11.821 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.634 -10.980 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.348 -8.134 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.345 -8.535 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.938 -7.715 -1.453 1.00 0.00 H new ATOM 1084 N PRO A 65 4.578 -11.479 -2.260 1.00 0.00 N ATOM 1085 CA PRO A 65 5.533 -12.589 -2.531 1.00 0.00 C ATOM 1086 C PRO A 65 6.281 -13.045 -1.268 1.00 0.00 C ATOM 1087 O PRO A 65 6.319 -14.217 -0.947 1.00 0.00 O ATOM 1088 CB PRO A 65 6.520 -11.993 -3.552 1.00 0.00 C ATOM 1089 CG PRO A 65 5.810 -10.831 -4.203 1.00 0.00 C ATOM 1090 CD PRO A 65 4.549 -10.514 -3.370 1.00 0.00 C ATOM 0 HA PRO A 65 5.016 -13.478 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.435 -11.663 -3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.808 -12.738 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.465 -9.961 -4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.537 -11.078 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.566 -9.488 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.643 -10.624 -3.966 1.00 0.00 H new ATOM 1098 N ASP A 66 6.876 -12.129 -0.560 1.00 0.00 N ATOM 1099 CA ASP A 66 7.625 -12.502 0.672 1.00 0.00 C ATOM 1100 C ASP A 66 6.670 -13.093 1.714 1.00 0.00 C ATOM 1101 O ASP A 66 6.927 -14.135 2.287 1.00 0.00 O ATOM 1102 CB ASP A 66 8.289 -11.247 1.241 1.00 0.00 C ATOM 1103 CG ASP A 66 9.000 -11.589 2.548 1.00 0.00 C ATOM 1104 OD1 ASP A 66 9.138 -12.766 2.832 1.00 0.00 O ATOM 1105 OD2 ASP A 66 9.398 -10.667 3.241 1.00 0.00 O ATOM 0 H ASP A 66 6.876 -11.133 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 66 8.380 -13.249 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.002 -10.844 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.540 -10.474 1.415 1.00 0.00 H new ATOM 1110 N MET A 67 5.578 -12.432 1.973 1.00 0.00 N ATOM 1111 CA MET A 67 4.611 -12.941 2.988 1.00 0.00 C ATOM 1112 C MET A 67 4.005 -14.267 2.513 1.00 0.00 C ATOM 1113 O MET A 67 3.788 -15.176 3.292 1.00 0.00 O ATOM 1114 CB MET A 67 3.503 -11.903 3.184 1.00 0.00 C ATOM 1115 CG MET A 67 4.125 -10.548 3.537 1.00 0.00 C ATOM 1116 SD MET A 67 5.070 -10.684 5.078 1.00 0.00 S ATOM 1117 CE MET A 67 3.677 -11.015 6.187 1.00 0.00 C ATOM 0 H MET A 67 5.311 -11.556 1.524 1.00 0.00 H new ATOM 0 HA MET A 67 5.127 -13.110 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.908 -11.816 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.828 -12.222 3.978 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.777 -10.216 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.343 -9.796 3.645 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.948 -10.736 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.812 -10.433 5.869 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.431 -12.076 6.155 1.00 0.00 H new ATOM 1127 N LEU A 68 3.724 -14.377 1.245 1.00 0.00 N ATOM 1128 CA LEU A 68 3.123 -15.630 0.706 1.00 0.00 C ATOM 1129 C LEU A 68 4.084 -16.796 0.924 1.00 0.00 C ATOM 1130 O LEU A 68 3.684 -17.870 1.313 1.00 0.00 O ATOM 1131 CB LEU A 68 2.864 -15.449 -0.791 1.00 0.00 C ATOM 1132 CG LEU A 68 1.739 -14.429 -1.014 1.00 0.00 C ATOM 1133 CD1 LEU A 68 1.691 -14.072 -2.502 1.00 0.00 C ATOM 1134 CD2 LEU A 68 0.379 -15.014 -0.580 1.00 0.00 C ATOM 0 H LEU A 68 3.886 -13.646 0.552 1.00 0.00 H new ATOM 0 HA LEU A 68 2.186 -15.842 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.774 -15.112 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.592 -16.405 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 68 1.936 -13.540 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.896 -13.347 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.646 -13.642 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.497 -14.972 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.405 -14.275 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.164 -15.908 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.415 -15.273 0.478 1.00 0.00 H new ATOM 1146 N ARG A 69 5.347 -16.597 0.682 1.00 0.00 N ATOM 1147 CA ARG A 69 6.317 -17.707 0.884 1.00 0.00 C ATOM 1148 C ARG A 69 6.395 -18.049 2.376 1.00 0.00 C ATOM 1149 O ARG A 69 6.503 -19.199 2.754 1.00 0.00 O ATOM 1150 CB ARG A 69 7.690 -17.272 0.375 1.00 0.00 C ATOM 1151 CG ARG A 69 7.648 -17.163 -1.149 1.00 0.00 C ATOM 1152 CD ARG A 69 8.977 -16.611 -1.659 1.00 0.00 C ATOM 1153 NE ARG A 69 10.064 -17.583 -1.357 1.00 0.00 N ATOM 1154 CZ ARG A 69 11.306 -17.273 -1.614 1.00 0.00 C ATOM 1155 NH1 ARG A 69 11.593 -16.108 -2.129 1.00 0.00 N ATOM 1156 NH2 ARG A 69 12.258 -18.127 -1.357 1.00 0.00 N ATOM 0 H ARG A 69 5.749 -15.719 0.355 1.00 0.00 H new ATOM 0 HA ARG A 69 5.992 -18.589 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.967 -16.313 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.449 -17.992 0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.456 -18.142 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.830 -16.511 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.921 -16.433 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.190 -15.652 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 69 9.838 -18.490 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.847 -15.442 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.563 -15.864 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.032 -19.037 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.228 -17.885 -1.558 1.00 0.00 H new ATOM 1170 N LYS A 70 6.347 -17.055 3.225 1.00 0.00 N ATOM 1171 CA LYS A 70 6.427 -17.318 4.693 1.00 0.00 C ATOM 1172 C LYS A 70 5.217 -18.139 5.150 1.00 0.00 C ATOM 1173 O LYS A 70 5.352 -19.116 5.858 1.00 0.00 O ATOM 1174 CB LYS A 70 6.438 -15.982 5.439 1.00 0.00 C ATOM 1175 CG LYS A 70 6.663 -16.231 6.934 1.00 0.00 C ATOM 1176 CD LYS A 70 6.656 -14.899 7.697 1.00 0.00 C ATOM 1177 CE LYS A 70 7.973 -14.143 7.479 1.00 0.00 C ATOM 1178 NZ LYS A 70 8.059 -13.023 8.459 1.00 0.00 N ATOM 0 H LYS A 70 6.256 -16.073 2.965 1.00 0.00 H new ATOM 0 HA LYS A 70 7.338 -17.877 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.225 -15.340 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.494 -15.460 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.883 -16.886 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.614 -16.742 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.819 -14.286 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.509 -15.084 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.820 -14.818 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.021 -13.757 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.950 -12.505 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.257 -12.376 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.031 -13.405 9.426 1.00 0.00 H new ATOM 1192 N ASP A 71 4.035 -17.747 4.757 1.00 0.00 N ATOM 1193 CA ASP A 71 2.809 -18.496 5.172 1.00 0.00 C ATOM 1194 C ASP A 71 2.418 -19.480 4.067 1.00 0.00 C ATOM 1195 O ASP A 71 1.351 -20.061 4.082 1.00 0.00 O ATOM 1196 CB ASP A 71 1.671 -17.501 5.431 1.00 0.00 C ATOM 1197 CG ASP A 71 1.229 -16.857 4.117 1.00 0.00 C ATOM 1198 OD1 ASP A 71 1.861 -17.124 3.109 1.00 0.00 O ATOM 1199 OD2 ASP A 71 0.270 -16.104 4.141 1.00 0.00 O ATOM 0 H ASP A 71 3.863 -16.936 4.163 1.00 0.00 H new ATOM 0 HA ASP A 71 3.005 -19.054 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.828 -18.013 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.001 -16.732 6.129 1.00 0.00 H new ATOM 1204 N GLY A 72 3.282 -19.669 3.106 1.00 0.00 N ATOM 1205 CA GLY A 72 2.984 -20.615 1.991 1.00 0.00 C ATOM 1206 C GLY A 72 2.117 -19.924 0.934 1.00 0.00 C ATOM 1207 O GLY A 72 1.233 -19.151 1.246 1.00 0.00 O ATOM 0 H GLY A 72 4.188 -19.205 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.913 -20.963 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.469 -21.494 2.377 1.00 0.00 H new ATOM 1211 N LYS A 73 2.365 -20.204 -0.317 1.00 0.00 N ATOM 1212 CA LYS A 73 1.564 -19.574 -1.408 1.00 0.00 C ATOM 1213 C LYS A 73 0.086 -19.931 -1.251 1.00 0.00 C ATOM 1214 O LYS A 73 -0.268 -21.066 -0.994 1.00 0.00 O ATOM 1215 CB LYS A 73 2.063 -20.083 -2.764 1.00 0.00 C ATOM 1216 CG LYS A 73 3.434 -19.477 -3.065 1.00 0.00 C ATOM 1217 CD LYS A 73 3.939 -20.005 -4.409 1.00 0.00 C ATOM 1218 CE LYS A 73 5.332 -19.438 -4.690 1.00 0.00 C ATOM 1219 NZ LYS A 73 5.254 -17.951 -4.768 1.00 0.00 N ATOM 0 H LYS A 73 3.092 -20.846 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 73 1.679 -18.492 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.129 -21.171 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.355 -19.814 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.365 -18.390 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.139 -19.733 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.975 -21.094 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.251 -19.720 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.024 -19.736 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.720 -19.843 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.100 -17.584 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.405 -17.675 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.202 -17.555 -3.808 1.00 0.00 H new ATOM 1233 N ASP A 74 -0.776 -18.967 -1.414 1.00 0.00 N ATOM 1234 CA ASP A 74 -2.238 -19.231 -1.291 1.00 0.00 C ATOM 1235 C ASP A 74 -3.012 -17.980 -1.710 1.00 0.00 C ATOM 1236 O ASP A 74 -3.635 -17.326 -0.897 1.00 0.00 O ATOM 1237 CB ASP A 74 -2.577 -19.579 0.160 1.00 0.00 C ATOM 1238 CG ASP A 74 -2.256 -18.386 1.060 1.00 0.00 C ATOM 1239 OD1 ASP A 74 -1.665 -17.439 0.568 1.00 0.00 O ATOM 1240 OD2 ASP A 74 -2.606 -18.438 2.228 1.00 0.00 O ATOM 0 H ASP A 74 -0.530 -18.001 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.513 -20.066 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.632 -19.839 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.007 -20.452 0.478 1.00 0.00 H new ATOM 1245 N PRO A 75 -2.972 -17.645 -2.974 1.00 0.00 N ATOM 1246 CA PRO A 75 -3.683 -16.447 -3.507 1.00 0.00 C ATOM 1247 C PRO A 75 -5.164 -16.462 -3.126 1.00 0.00 C ATOM 1248 O PRO A 75 -5.728 -15.456 -2.740 1.00 0.00 O ATOM 1249 CB PRO A 75 -3.511 -16.565 -5.032 1.00 0.00 C ATOM 1250 CG PRO A 75 -2.290 -17.409 -5.223 1.00 0.00 C ATOM 1251 CD PRO A 75 -2.249 -18.371 -4.032 1.00 0.00 C ATOM 0 HA PRO A 75 -3.285 -15.515 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.385 -17.026 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.388 -15.584 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.338 -17.956 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.392 -16.793 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.730 -19.320 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.225 -18.597 -3.735 1.00 0.00 H new ATOM 1259 N ASN A 76 -5.787 -17.603 -3.231 1.00 0.00 N ATOM 1260 CA ASN A 76 -7.226 -17.709 -2.873 1.00 0.00 C ATOM 1261 C ASN A 76 -8.019 -16.654 -3.640 1.00 0.00 C ATOM 1262 O ASN A 76 -9.000 -16.137 -3.148 1.00 0.00 O ATOM 1263 CB ASN A 76 -7.397 -17.499 -1.365 1.00 0.00 C ATOM 1264 CG ASN A 76 -6.781 -18.680 -0.610 1.00 0.00 C ATOM 1265 OD1 ASN A 76 -6.779 -19.865 -1.159 1.00 0.00 O flip ATOM 1266 ND2 ASN A 76 -6.297 -18.525 0.494 1.00 0.00 N flip ATOM 0 H ASN A 76 -5.357 -18.471 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.597 -18.699 -3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.917 -16.569 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.455 -17.408 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.297 -17.601 0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.891 -19.319 0.989 1.00 0.00 H new ATOM 1273 N GLN A 77 -7.601 -16.348 -4.847 1.00 0.00 N ATOM 1274 CA GLN A 77 -8.313 -15.328 -5.684 1.00 0.00 C ATOM 1275 C GLN A 77 -8.811 -14.169 -4.812 1.00 0.00 C ATOM 1276 O GLN A 77 -9.741 -13.471 -5.170 1.00 0.00 O ATOM 1277 CB GLN A 77 -9.503 -15.972 -6.420 1.00 0.00 C ATOM 1278 CG GLN A 77 -10.481 -16.614 -5.426 1.00 0.00 C ATOM 1279 CD GLN A 77 -11.745 -17.059 -6.163 1.00 0.00 C ATOM 1280 OE1 GLN A 77 -11.670 -17.716 -7.182 1.00 0.00 O ATOM 1281 NE2 GLN A 77 -12.913 -16.727 -5.683 1.00 0.00 N ATOM 0 H GLN A 77 -6.786 -16.768 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.608 -14.940 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.022 -15.217 -7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.139 -16.727 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.012 -17.469 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.737 -15.902 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.975 -16.175 -4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.764 -17.019 -6.164 1.00 0.00 H new ATOM 1290 N PHE A 78 -8.193 -13.966 -3.671 1.00 0.00 N ATOM 1291 CA PHE A 78 -8.609 -12.864 -2.742 1.00 0.00 C ATOM 1292 C PHE A 78 -10.131 -12.683 -2.765 1.00 0.00 C ATOM 1293 O PHE A 78 -10.874 -13.527 -2.306 1.00 0.00 O ATOM 1294 CB PHE A 78 -7.940 -11.555 -3.166 1.00 0.00 C ATOM 1295 CG PHE A 78 -6.451 -11.654 -2.947 1.00 0.00 C ATOM 1296 CD1 PHE A 78 -5.921 -11.513 -1.660 1.00 0.00 C ATOM 1297 CD2 PHE A 78 -5.598 -11.878 -4.034 1.00 0.00 C ATOM 1298 CE1 PHE A 78 -4.538 -11.597 -1.458 1.00 0.00 C ATOM 1299 CE2 PHE A 78 -4.216 -11.964 -3.834 1.00 0.00 C ATOM 1300 CZ PHE A 78 -3.686 -11.823 -2.546 1.00 0.00 C ATOM 0 H PHE A 78 -7.407 -14.525 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.300 -13.129 -1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -8.151 -11.351 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.348 -10.724 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.579 -11.339 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.007 -11.985 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.129 -11.488 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.558 -12.139 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.619 -11.889 -2.391 1.00 0.00 H new ATOM 1310 N THR A 79 -10.598 -11.587 -3.302 1.00 0.00 N ATOM 1311 CA THR A 79 -12.068 -11.340 -3.365 1.00 0.00 C ATOM 1312 C THR A 79 -12.390 -10.523 -4.617 1.00 0.00 C ATOM 1313 O THR A 79 -12.598 -11.058 -5.688 1.00 0.00 O ATOM 1314 CB THR A 79 -12.506 -10.552 -2.129 1.00 0.00 C ATOM 1315 OG1 THR A 79 -11.724 -9.371 -2.031 1.00 0.00 O ATOM 1316 CG2 THR A 79 -12.305 -11.403 -0.874 1.00 0.00 C ATOM 0 H THR A 79 -10.020 -10.848 -3.702 1.00 0.00 H new ATOM 0 HA THR A 79 -12.595 -12.294 -3.399 1.00 0.00 H new ATOM 0 HB THR A 79 -13.561 -10.291 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.000 -8.860 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.618 -10.837 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.901 -12.312 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.252 -11.667 -0.778 1.00 0.00 H new ATOM 1324 N ILE A 80 -12.439 -9.228 -4.483 1.00 0.00 N ATOM 1325 CA ILE A 80 -12.757 -8.360 -5.652 1.00 0.00 C ATOM 1326 C ILE A 80 -11.503 -8.121 -6.495 1.00 0.00 C ATOM 1327 O ILE A 80 -10.400 -8.062 -5.990 1.00 0.00 O ATOM 1328 CB ILE A 80 -13.309 -7.028 -5.145 1.00 0.00 C ATOM 1329 CG1 ILE A 80 -12.305 -6.381 -4.186 1.00 0.00 C ATOM 1330 CG2 ILE A 80 -14.627 -7.285 -4.411 1.00 0.00 C ATOM 1331 CD1 ILE A 80 -12.803 -4.989 -3.792 1.00 0.00 C ATOM 0 H ILE A 80 -12.272 -8.730 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.501 -8.853 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.478 -6.357 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.183 -7.001 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.327 -6.308 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -15.030 -6.341 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -15.341 -7.743 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -14.450 -7.955 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.090 -4.527 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.903 -4.372 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.772 -5.075 -3.300 1.00 0.00 H new ATOM 1343 N SER A 81 -11.670 -7.991 -7.783 1.00 0.00 N ATOM 1344 CA SER A 81 -10.500 -7.762 -8.678 1.00 0.00 C ATOM 1345 C SER A 81 -9.864 -6.405 -8.361 1.00 0.00 C ATOM 1346 O SER A 81 -10.522 -5.482 -7.928 1.00 0.00 O ATOM 1347 CB SER A 81 -10.971 -7.780 -10.134 1.00 0.00 C ATOM 1348 OG SER A 81 -11.484 -6.498 -10.475 1.00 0.00 O ATOM 0 H SER A 81 -12.572 -8.034 -8.257 1.00 0.00 H new ATOM 0 HA SER A 81 -9.761 -8.548 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.143 -8.041 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.740 -8.541 -10.271 1.00 0.00 H new ATOM 0 HG SER A 81 -11.786 -6.504 -11.407 1.00 0.00 H new ATOM 1354 N ARG A 82 -8.581 -6.287 -8.570 1.00 0.00 N ATOM 1355 CA ARG A 82 -7.873 -5.003 -8.283 1.00 0.00 C ATOM 1356 C ARG A 82 -7.905 -4.104 -9.525 1.00 0.00 C ATOM 1357 O ARG A 82 -8.199 -4.541 -10.619 1.00 0.00 O ATOM 1358 CB ARG A 82 -6.411 -5.309 -7.897 1.00 0.00 C ATOM 1359 CG ARG A 82 -5.915 -6.572 -8.642 1.00 0.00 C ATOM 1360 CD ARG A 82 -6.156 -7.825 -7.788 1.00 0.00 C ATOM 1361 NE ARG A 82 -5.218 -7.818 -6.633 1.00 0.00 N ATOM 1362 CZ ARG A 82 -5.445 -8.587 -5.604 1.00 0.00 C ATOM 1363 NH1 ARG A 82 -6.499 -9.358 -5.585 1.00 0.00 N ATOM 1364 NH2 ARG A 82 -4.617 -8.583 -4.596 1.00 0.00 N ATOM 0 H ARG A 82 -7.986 -7.032 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 82 -8.369 -4.487 -7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.776 -4.459 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.335 -5.460 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.435 -6.668 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.853 -6.476 -8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.187 -7.846 -7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.006 -8.723 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.398 -7.212 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.145 -9.359 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.677 -9.959 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.795 -7.980 -4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.792 -9.183 -3.790 1.00 0.00 H new ATOM 1378 N ARG A 83 -7.594 -2.847 -9.352 1.00 0.00 N ATOM 1379 CA ARG A 83 -7.589 -1.902 -10.504 1.00 0.00 C ATOM 1380 C ARG A 83 -6.208 -1.938 -11.169 1.00 0.00 C ATOM 1381 O ARG A 83 -5.912 -1.164 -12.057 1.00 0.00 O ATOM 1382 CB ARG A 83 -7.866 -0.486 -9.986 1.00 0.00 C ATOM 1383 CG ARG A 83 -9.297 -0.407 -9.447 1.00 0.00 C ATOM 1384 CD ARG A 83 -9.533 0.965 -8.808 1.00 0.00 C ATOM 1385 NE ARG A 83 -9.400 2.024 -9.846 1.00 0.00 N ATOM 1386 CZ ARG A 83 -9.432 3.283 -9.503 1.00 0.00 C ATOM 1387 NH1 ARG A 83 -9.585 3.615 -8.249 1.00 0.00 N ATOM 1388 NH2 ARG A 83 -9.311 4.209 -10.414 1.00 0.00 N ATOM 0 H ARG A 83 -7.342 -2.432 -8.455 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.354 -2.186 -11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.156 -0.230 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.728 0.239 -10.788 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.010 -0.570 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.463 -1.195 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.525 1.003 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.814 1.134 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.284 1.766 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.679 2.890 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.610 4.599 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.192 3.949 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.336 5.193 -10.147 1.00 0.00 H new ATOM 1402 N GLY A 84 -5.362 -2.835 -10.734 1.00 0.00 N ATOM 1403 CA GLY A 84 -3.994 -2.933 -11.315 1.00 0.00 C ATOM 1404 C GLY A 84 -4.077 -3.194 -12.817 1.00 0.00 C ATOM 1405 O GLY A 84 -5.082 -3.635 -13.335 1.00 0.00 O ATOM 0 H GLY A 84 -5.564 -3.508 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.445 -2.010 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.441 -3.737 -10.829 1.00 0.00 H new ATOM 1409 N ALA A 85 -3.015 -2.913 -13.515 1.00 0.00 N ATOM 1410 CA ALA A 85 -3.000 -3.126 -14.992 1.00 0.00 C ATOM 1411 C ALA A 85 -3.098 -4.618 -15.312 1.00 0.00 C ATOM 1412 O ALA A 85 -2.484 -5.445 -14.667 1.00 0.00 O ATOM 1413 CB ALA A 85 -1.695 -2.573 -15.568 1.00 0.00 C ATOM 0 H ALA A 85 -2.149 -2.542 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.852 -2.610 -15.434 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.680 -2.726 -16.647 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.625 -1.507 -15.352 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.849 -3.091 -15.116 1.00 0.00 H new ATOM 1419 N LYS A 86 -3.856 -4.966 -16.316 1.00 0.00 N ATOM 1420 CA LYS A 86 -3.996 -6.402 -16.706 1.00 0.00 C ATOM 1421 C LYS A 86 -3.022 -6.706 -17.843 1.00 0.00 C ATOM 1422 O LYS A 86 -3.005 -7.790 -18.393 1.00 0.00 O ATOM 1423 CB LYS A 86 -5.434 -6.659 -17.166 1.00 0.00 C ATOM 1424 CG LYS A 86 -5.762 -5.755 -18.358 1.00 0.00 C ATOM 1425 CD LYS A 86 -7.228 -5.951 -18.752 1.00 0.00 C ATOM 1426 CE LYS A 86 -7.550 -5.096 -19.978 1.00 0.00 C ATOM 1427 NZ LYS A 86 -7.295 -3.660 -19.668 1.00 0.00 N ATOM 0 H LYS A 86 -4.390 -4.312 -16.889 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.771 -7.046 -15.856 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.555 -7.705 -17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.128 -6.465 -16.348 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.579 -4.712 -18.099 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.112 -5.993 -19.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.419 -7.002 -18.969 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.878 -5.674 -17.922 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.938 -5.410 -20.824 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.591 -5.236 -20.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.801 -3.062 -20.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.632 -3.447 -18.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.275 -3.468 -19.728 1.00 0.00 H new ATOM 1441 N ILE A 87 -2.210 -5.748 -18.200 1.00 0.00 N ATOM 1442 CA ILE A 87 -1.231 -5.964 -19.302 1.00 0.00 C ATOM 1443 C ILE A 87 -0.157 -6.954 -18.844 1.00 0.00 C ATOM 1444 O ILE A 87 -0.163 -8.109 -19.229 1.00 0.00 O ATOM 1445 CB ILE A 87 -0.568 -4.630 -19.657 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -1.643 -3.553 -19.849 1.00 0.00 C ATOM 1447 CG2 ILE A 87 0.247 -4.782 -20.944 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -2.704 -4.028 -20.848 1.00 0.00 C ATOM 0 H ILE A 87 -2.183 -4.822 -17.774 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.747 -6.363 -20.175 1.00 0.00 H new ATOM 0 HB ILE A 87 0.097 -4.334 -18.846 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.112 -3.324 -18.892 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.184 -2.632 -20.207 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.716 -3.830 -21.192 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.017 -5.540 -20.800 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.412 -5.085 -21.758 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.459 -3.252 -20.973 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.233 -4.234 -21.809 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.176 -4.937 -20.473 1.00 0.00 H new ATOM 1460 N SER A 88 0.767 -6.508 -18.028 1.00 0.00 N ATOM 1461 CA SER A 88 1.852 -7.414 -17.541 1.00 0.00 C ATOM 1462 C SER A 88 2.376 -8.270 -18.701 1.00 0.00 C ATOM 1463 O SER A 88 2.814 -9.386 -18.516 1.00 0.00 O ATOM 1464 CB SER A 88 1.311 -8.322 -16.436 1.00 0.00 C ATOM 1465 OG SER A 88 0.693 -7.521 -15.436 1.00 0.00 O ATOM 0 H SER A 88 0.816 -5.551 -17.677 1.00 0.00 H new ATOM 0 HA SER A 88 2.668 -6.810 -17.144 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.592 -9.029 -16.849 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.121 -8.908 -16.001 1.00 0.00 H new ATOM 0 HG SER A 88 0.342 -8.098 -14.725 1.00 0.00 H new ATOM 1471 N GLU A 89 2.326 -7.746 -19.895 1.00 0.00 N ATOM 1472 CA GLU A 89 2.816 -8.516 -21.075 1.00 0.00 C ATOM 1473 C GLU A 89 2.967 -7.564 -22.264 1.00 0.00 C ATOM 1474 O GLU A 89 3.960 -6.857 -22.309 1.00 0.00 O ATOM 1475 CB GLU A 89 1.807 -9.617 -21.422 1.00 0.00 C ATOM 1476 CG GLU A 89 2.387 -10.526 -22.512 1.00 0.00 C ATOM 1477 CD GLU A 89 3.536 -11.352 -21.932 1.00 0.00 C ATOM 1478 OE1 GLU A 89 3.718 -11.311 -20.724 1.00 0.00 O ATOM 1479 OE2 GLU A 89 4.210 -12.015 -22.700 1.00 0.00 O ATOM 1480 OXT GLU A 89 2.085 -7.555 -23.106 1.00 0.00 O ATOM 0 H GLU A 89 1.966 -6.815 -20.105 1.00 0.00 H new ATOM 0 HA GLU A 89 3.779 -8.972 -20.845 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.574 -10.203 -20.533 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.873 -9.172 -21.765 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.611 -11.186 -22.901 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.743 -9.926 -23.349 1.00 0.00 H new TER 1487 GLU A 89