USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 1.18 (180deg=-0.0023) USER MOD Set 2.2: A 12 THR OG1 : rot 141:sc= 0.97 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.31 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 1.15 K(o=1.2,f=-0.34) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.21) USER MOD Single : A 14 THR OG1 : rot -107:sc= 0.494 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0593 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.915) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.739) USER MOD Single : A 31 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.41) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.2 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.046) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 55 THR OG1 : rot -62:sc= 1.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.00022) USER MOD Single : A 62 GLN : amide:sc= -0.052 K(o=-0.052,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -161:sc= 0.0106 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.200 -7.512 -4.817 1.00 9.67 N ATOM 2 CA MET A 1 11.128 -7.976 -3.377 1.00 10.38 C ATOM 3 C MET A 1 9.697 -8.259 -2.929 1.00 9.62 C ATOM 4 O MET A 1 8.785 -7.717 -3.460 1.00 9.62 O ATOM 5 CB MET A 1 11.665 -6.919 -2.460 1.00 13.77 C ATOM 6 CG MET A 1 10.926 -5.525 -2.352 1.00 16.29 C ATOM 7 SD MET A 1 11.866 -4.213 -1.655 1.00 17.17 S ATOM 8 CE MET A 1 10.553 -2.954 -1.401 1.00 16.11 C ATOM 0 H1 MET A 1 12.190 -7.316 -5.070 1.00 9.67 H new ATOM 0 H2 MET A 1 10.824 -8.255 -5.440 1.00 9.67 H new ATOM 0 H3 MET A 1 10.636 -6.646 -4.931 1.00 9.67 H new ATOM 0 HA MET A 1 11.717 -8.891 -3.327 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.702 -7.346 -1.458 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.694 -6.720 -2.760 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.605 -5.227 -3.350 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.024 -5.658 -1.754 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.989 -2.056 -0.963 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.097 -2.705 -2.359 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.792 -3.352 -0.730 1.00 16.11 H new ATOM 20 N GLN A 2 9.475 -9.146 -1.935 1.00 9.27 N ATOM 21 CA GLN A 2 8.157 -9.384 -1.304 1.00 9.07 C ATOM 22 C GLN A 2 7.844 -8.339 -0.222 1.00 8.72 C ATOM 23 O GLN A 2 8.805 -7.848 0.401 1.00 8.22 O ATOM 24 CB GLN A 2 8.048 -10.751 -0.652 1.00 14.46 C ATOM 25 CG GLN A 2 8.278 -11.975 -1.658 1.00 17.01 C ATOM 26 CD GLN A 2 7.040 -12.189 -2.535 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.008 -12.774 -2.085 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.101 -11.862 -3.845 1.00 19.49 N ATOM 0 H GLN A 2 10.217 -9.726 -1.542 1.00 9.27 H new ATOM 0 HA GLN A 2 7.443 -9.315 -2.125 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.778 -10.816 0.155 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.062 -10.848 -0.198 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.147 -11.778 -2.287 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.492 -12.882 -1.093 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.927 -11.392 -4.215 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.321 -12.086 -4.463 1.00 19.49 H new ATOM 37 N ILE A 3 6.599 -7.933 -0.052 1.00 5.87 N ATOM 38 CA ILE A 3 6.057 -6.998 0.979 1.00 5.07 C ATOM 39 C ILE A 3 4.722 -7.504 1.391 1.00 4.01 C ATOM 40 O ILE A 3 4.044 -8.146 0.596 1.00 4.61 O ATOM 41 CB ILE A 3 5.979 -5.477 0.737 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.203 -5.201 -0.619 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.402 -4.948 0.688 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.823 -3.716 -0.861 1.00 10.83 C ATOM 0 H ILE A 3 5.860 -8.264 -0.672 1.00 5.87 H new ATOM 0 HA ILE A 3 6.838 -7.024 1.739 1.00 5.07 H new ATOM 0 HB ILE A 3 5.435 -4.970 1.534 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.819 -5.544 -1.450 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.293 -5.801 -0.629 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.384 -3.872 0.518 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.901 -5.157 1.634 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.943 -5.435 -0.123 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.297 -3.625 -1.811 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.177 -3.369 -0.054 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.728 -3.109 -0.888 1.00 10.83 H new ATOM 56 N PHE A 4 4.353 -7.297 2.644 1.00 4.55 N ATOM 57 CA PHE A 4 3.071 -7.746 3.155 1.00 4.68 C ATOM 58 C PHE A 4 2.186 -6.484 3.352 1.00 5.30 C ATOM 59 O PHE A 4 2.694 -5.409 3.720 1.00 5.58 O ATOM 60 CB PHE A 4 3.149 -8.301 4.602 1.00 4.83 C ATOM 61 CG PHE A 4 4.083 -9.497 4.618 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.849 -10.631 3.839 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.273 -9.397 5.335 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.842 -11.620 3.781 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.270 -10.323 5.161 1.00 10.61 C ATOM 66 CZ PHE A 4 6.097 -11.443 4.405 1.00 8.90 C ATOM 0 H PHE A 4 4.931 -6.815 3.332 1.00 4.55 H new ATOM 0 HA PHE A 4 2.711 -8.501 2.456 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.511 -7.530 5.283 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.157 -8.592 4.948 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.924 -10.745 3.293 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.412 -8.585 6.033 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.643 -12.537 3.247 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.224 -10.159 5.639 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.889 -12.168 4.287 1.00 8.90 H new ATOM 76 N VAL A 5 0.908 -6.615 3.063 1.00 4.44 N ATOM 77 CA VAL A 5 -0.092 -5.574 3.247 1.00 3.87 C ATOM 78 C VAL A 5 -1.177 -6.211 4.163 1.00 4.93 C ATOM 79 O VAL A 5 -1.779 -7.223 3.877 1.00 6.84 O ATOM 80 CB VAL A 5 -0.664 -5.030 1.860 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.663 -3.882 2.254 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.470 -4.396 1.104 1.00 9.13 C ATOM 0 H VAL A 5 0.520 -7.477 2.680 1.00 4.44 H new ATOM 0 HA VAL A 5 0.328 -4.681 3.711 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.126 -5.816 1.263 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.100 -3.455 1.352 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.454 -4.289 2.884 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.128 -3.105 2.800 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.104 -4.016 0.150 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.882 -3.574 1.689 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.247 -5.138 0.924 1.00 9.13 H new ATOM 92 N LYS A 6 -1.305 -5.716 5.420 1.00 6.04 N ATOM 93 CA LYS A 6 -2.209 -6.321 6.459 1.00 6.12 C ATOM 94 C LYS A 6 -3.363 -5.404 6.812 1.00 6.57 C ATOM 95 O LYS A 6 -3.357 -4.182 6.566 1.00 5.76 O ATOM 96 CB LYS A 6 -1.434 -6.488 7.791 1.00 7.45 C ATOM 97 CG LYS A 6 -0.554 -7.719 7.775 1.00 11.12 C ATOM 98 CD LYS A 6 0.026 -7.940 9.194 1.00 14.54 C ATOM 99 CE LYS A 6 0.940 -9.149 9.187 1.00 18.84 C ATOM 100 NZ LYS A 6 0.263 -10.388 9.090 1.00 20.55 N ATOM 0 H LYS A 6 -0.796 -4.896 5.750 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.564 -7.262 6.039 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.821 -5.604 7.969 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.141 -6.557 8.618 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.130 -8.590 7.464 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.253 -7.596 7.053 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.578 -7.056 9.514 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.783 -8.087 9.910 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.634 -9.061 8.351 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.537 -9.144 10.099 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.956 -11.163 9.091 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.380 -10.497 9.900 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.285 -10.416 8.207 1.00 20.55 H new ATOM 114 N THR A 7 -4.443 -6.029 7.313 1.00 7.41 N ATOM 115 CA THR A 7 -5.611 -5.317 7.807 1.00 7.48 C ATOM 116 C THR A 7 -5.898 -5.733 9.240 1.00 8.75 C ATOM 117 O THR A 7 -5.357 -6.686 9.739 1.00 8.58 O ATOM 118 CB THR A 7 -6.969 -5.570 7.006 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.439 -6.908 7.212 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.738 -5.263 5.474 1.00 9.17 C ATOM 0 H THR A 7 -4.520 -7.044 7.382 1.00 7.41 H new ATOM 0 HA THR A 7 -5.342 -4.267 7.691 1.00 7.48 H new ATOM 0 HB THR A 7 -7.742 -4.899 7.381 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.273 -7.042 6.714 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.664 -5.435 4.925 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.432 -4.224 5.353 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.958 -5.918 5.085 1.00 9.17 H new ATOM 128 N LEU A 8 -6.740 -4.933 9.917 1.00 9.84 N ATOM 129 CA LEU A 8 -7.357 -4.979 11.234 1.00 14.15 C ATOM 130 C LEU A 8 -7.875 -6.333 11.587 1.00 17.37 C ATOM 131 O LEU A 8 -7.752 -6.618 12.791 1.00 17.01 O ATOM 132 CB LEU A 8 -8.451 -3.870 11.304 1.00 16.63 C ATOM 133 CG LEU A 8 -9.136 -3.663 12.678 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.121 -3.298 13.803 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.350 -2.722 12.354 1.00 18.59 C ATOM 0 H LEU A 8 -7.052 -4.082 9.449 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.599 -4.779 11.991 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.999 -2.925 11.002 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.222 -4.104 10.570 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.544 -4.556 13.152 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.654 -3.164 14.744 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.392 -4.101 13.910 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.606 -2.373 13.543 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.904 -2.514 13.270 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.983 -1.787 11.932 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.008 -3.211 11.635 1.00 18.59 H new ATOM 147 N THR A 9 -8.512 -7.015 10.623 1.00 18.33 N ATOM 148 CA THR A 9 -9.242 -8.213 10.891 1.00 19.24 C ATOM 149 C THR A 9 -8.424 -9.524 10.491 1.00 19.48 C ATOM 150 O THR A 9 -8.893 -10.669 10.424 1.00 23.14 O ATOM 151 CB THR A 9 -10.600 -8.186 10.183 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.634 -7.823 8.826 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.563 -7.198 10.854 1.00 19.70 C ATOM 0 H THR A 9 -8.521 -6.732 9.643 1.00 18.33 H new ATOM 0 HA THR A 9 -9.406 -8.255 11.968 1.00 19.24 H new ATOM 0 HB THR A 9 -10.879 -9.237 10.262 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.559 -7.850 8.503 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.517 -7.204 10.326 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.721 -7.492 11.892 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.137 -6.195 10.821 1.00 19.70 H new ATOM 161 N GLY A 10 -7.073 -9.364 10.237 1.00 19.43 N ATOM 162 CA GLY A 10 -6.216 -10.548 10.076 1.00 18.74 C ATOM 163 C GLY A 10 -5.928 -11.017 8.612 1.00 17.62 C ATOM 164 O GLY A 10 -5.578 -12.183 8.428 1.00 19.74 O ATOM 0 H GLY A 10 -6.598 -8.466 10.148 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.261 -10.345 10.561 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.677 -11.377 10.614 1.00 18.74 H new ATOM 168 N LYS A 11 -6.187 -10.178 7.626 1.00 13.56 N ATOM 169 CA LYS A 11 -5.910 -10.498 6.233 1.00 11.91 C ATOM 170 C LYS A 11 -4.539 -9.959 5.830 1.00 10.18 C ATOM 171 O LYS A 11 -4.191 -8.823 6.051 1.00 9.10 O ATOM 172 CB LYS A 11 -6.934 -9.939 5.232 1.00 13.43 C ATOM 173 CG LYS A 11 -6.777 -10.237 3.721 1.00 16.69 C ATOM 174 CD LYS A 11 -7.889 -9.842 2.801 1.00 17.92 C ATOM 175 CE LYS A 11 -7.922 -10.421 1.373 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.231 -10.151 0.704 1.00 21.93 N ATOM 0 H LYS A 11 -6.596 -9.254 7.766 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.958 -11.586 6.184 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.916 -10.303 5.535 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.945 -8.855 5.350 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.869 -9.742 3.377 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.617 -11.309 3.608 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.828 -10.110 3.286 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.874 -8.756 2.715 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.114 -9.986 0.784 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.746 -11.496 1.411 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.227 -10.568 -0.249 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.000 -10.572 1.263 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.378 -9.124 0.631 1.00 21.93 H new ATOM 190 N THR A 12 -3.689 -10.836 5.279 1.00 9.63 N ATOM 191 CA THR A 12 -2.345 -10.544 4.798 1.00 9.85 C ATOM 192 C THR A 12 -2.143 -10.962 3.383 1.00 11.66 C ATOM 193 O THR A 12 -2.161 -12.156 3.051 1.00 12.33 O ATOM 194 CB THR A 12 -1.339 -11.262 5.600 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.435 -10.991 6.987 1.00 10.91 O ATOM 196 CG2 THR A 12 0.020 -10.831 5.189 1.00 9.63 C ATOM 0 H THR A 12 -3.940 -11.817 5.153 1.00 9.63 H new ATOM 0 HA THR A 12 -2.229 -9.463 4.882 1.00 9.85 H new ATOM 0 HB THR A 12 -1.520 -12.323 5.427 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.272 -11.814 7.493 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.765 -11.362 5.782 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.169 -11.056 4.133 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.126 -9.758 5.350 1.00 9.63 H new ATOM 204 N ILE A 13 -1.912 -9.970 2.493 1.00 10.42 N ATOM 205 CA ILE A 13 -1.615 -10.212 1.088 1.00 11.84 C ATOM 206 C ILE A 13 -0.186 -9.782 0.816 1.00 10.55 C ATOM 207 O ILE A 13 0.375 -8.788 1.261 1.00 11.92 O ATOM 208 CB ILE A 13 -2.658 -9.593 0.204 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.793 -8.092 0.329 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.009 -10.366 0.536 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.915 -7.651 -0.628 1.00 16.46 C ATOM 0 H ILE A 13 -1.930 -8.981 2.743 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.668 -11.273 0.846 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.369 -9.705 -0.841 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.031 -7.812 1.355 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.855 -7.599 0.074 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.817 -9.965 -0.075 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.883 -11.427 0.321 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.253 -10.236 1.590 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.042 -6.570 -0.566 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.652 -7.927 -1.649 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.846 -8.143 -0.348 1.00 16.46 H new ATOM 223 N THR A 14 0.528 -10.669 -0.001 1.00 9.39 N ATOM 224 CA THR A 14 1.985 -10.663 -0.111 1.00 9.63 C ATOM 225 C THR A 14 2.358 -10.375 -1.556 1.00 11.20 C ATOM 226 O THR A 14 1.985 -11.114 -2.460 1.00 11.63 O ATOM 227 CB THR A 14 2.736 -11.984 0.223 1.00 10.38 C ATOM 228 OG1 THR A 14 2.307 -12.375 1.547 1.00 16.30 O ATOM 229 CG2 THR A 14 4.206 -11.596 0.319 1.00 11.66 C ATOM 0 H THR A 14 0.078 -11.381 -0.576 1.00 9.39 H new ATOM 0 HA THR A 14 2.286 -9.921 0.628 1.00 9.63 H new ATOM 0 HB THR A 14 2.560 -12.777 -0.504 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.032 -12.214 2.187 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.801 -12.479 0.553 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.535 -11.178 -0.633 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.335 -10.853 1.106 1.00 11.66 H new ATOM 237 N LEU A 15 2.936 -9.178 -1.740 1.00 8.29 N ATOM 238 CA LEU A 15 3.014 -8.494 -2.999 1.00 9.03 C ATOM 239 C LEU A 15 4.487 -8.465 -3.495 1.00 8.59 C ATOM 240 O LEU A 15 5.351 -8.065 -2.642 1.00 7.79 O ATOM 241 CB LEU A 15 2.648 -6.990 -2.902 1.00 11.08 C ATOM 242 CG LEU A 15 1.281 -6.599 -2.209 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.015 -5.090 -2.407 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.116 -7.406 -2.824 1.00 15.27 C ATOM 0 H LEU A 15 3.371 -8.659 -0.977 1.00 8.29 H new ATOM 0 HA LEU A 15 2.324 -9.031 -3.650 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.451 -6.486 -2.364 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.637 -6.584 -3.913 1.00 11.08 H new ATOM 0 HG LEU A 15 1.349 -6.827 -1.145 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.073 -4.821 -1.929 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.826 -4.516 -1.959 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.958 -4.867 -3.472 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.818 -7.126 -2.337 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.048 -7.191 -3.890 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.295 -8.471 -2.679 1.00 15.27 H new ATOM 256 N GLU A 16 4.853 -8.806 -4.767 1.00 11.04 N ATOM 257 CA GLU A 16 6.173 -8.637 -5.373 1.00 11.50 C ATOM 258 C GLU A 16 6.359 -7.209 -5.941 1.00 10.13 C ATOM 259 O GLU A 16 5.560 -6.752 -6.732 1.00 9.83 O ATOM 260 CB GLU A 16 6.337 -9.690 -6.503 1.00 17.22 C ATOM 261 CG GLU A 16 7.657 -9.553 -7.343 1.00 23.33 C ATOM 262 CD GLU A 16 8.884 -9.717 -6.455 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.746 -10.482 -5.440 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.971 -9.132 -6.758 1.00 28.86 O ATOM 0 H GLU A 16 4.187 -9.226 -5.415 1.00 11.04 H new ATOM 0 HA GLU A 16 6.935 -8.782 -4.607 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.306 -10.686 -6.060 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.484 -9.615 -7.177 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.671 -10.305 -8.132 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.683 -8.579 -7.831 1.00 23.33 H new ATOM 271 N VAL A 17 7.346 -6.440 -5.487 1.00 8.99 N ATOM 272 CA VAL A 17 7.489 -5.009 -5.830 1.00 8.85 C ATOM 273 C VAL A 17 8.932 -4.750 -6.152 1.00 8.04 C ATOM 274 O VAL A 17 9.760 -5.576 -5.821 1.00 8.99 O ATOM 275 CB VAL A 17 6.982 -4.039 -4.756 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.412 -3.963 -4.862 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.512 -4.523 -3.391 1.00 10.54 C ATOM 0 H VAL A 17 8.078 -6.785 -4.866 1.00 8.99 H new ATOM 0 HA VAL A 17 6.849 -4.814 -6.690 1.00 8.85 H new ATOM 0 HB VAL A 17 7.347 -3.021 -4.889 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.029 -3.277 -4.106 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.131 -3.605 -5.852 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.988 -4.954 -4.701 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.166 -3.850 -2.607 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.144 -5.530 -3.194 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.602 -4.532 -3.406 1.00 10.54 H new ATOM 287 N GLU A 18 9.225 -3.555 -6.697 1.00 7.29 N ATOM 288 CA GLU A 18 10.556 -3.023 -6.867 1.00 7.08 C ATOM 289 C GLU A 18 10.569 -1.686 -6.020 1.00 6.45 C ATOM 290 O GLU A 18 9.563 -0.967 -5.902 1.00 5.28 O ATOM 291 CB GLU A 18 10.886 -2.703 -8.365 1.00 10.28 C ATOM 292 CG GLU A 18 11.200 -3.970 -9.180 1.00 12.65 C ATOM 293 CD GLU A 18 12.449 -4.753 -8.771 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.573 -4.212 -8.851 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.299 -5.915 -8.319 1.00 18.17 O ATOM 0 H GLU A 18 8.501 -2.923 -7.039 1.00 7.29 H new ATOM 0 HA GLU A 18 11.304 -3.747 -6.545 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.041 -2.183 -8.817 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.738 -2.025 -8.410 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.342 -4.639 -9.115 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.304 -3.685 -10.227 1.00 12.65 H new ATOM 302 N PRO A 19 11.672 -1.324 -5.291 1.00 7.24 N ATOM 303 CA PRO A 19 11.698 -0.137 -4.356 1.00 7.07 C ATOM 304 C PRO A 19 11.246 1.177 -5.022 1.00 6.65 C ATOM 305 O PRO A 19 10.810 2.103 -4.330 1.00 6.37 O ATOM 306 CB PRO A 19 13.184 -0.091 -3.844 1.00 7.61 C ATOM 307 CG PRO A 19 13.947 -0.768 -4.969 1.00 8.16 C ATOM 308 CD PRO A 19 12.994 -1.881 -5.400 1.00 7.49 C ATOM 0 HA PRO A 19 10.984 -0.246 -3.540 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.525 0.932 -3.682 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.303 -0.620 -2.899 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.160 -0.078 -5.786 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.904 -1.164 -4.628 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.201 -2.201 -6.421 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.103 -2.759 -4.763 1.00 7.49 H new ATOM 316 N SER A 20 11.367 1.259 -6.343 1.00 6.80 N ATOM 317 CA SER A 20 11.152 2.440 -7.123 1.00 6.28 C ATOM 318 C SER A 20 9.713 2.755 -7.537 1.00 8.45 C ATOM 319 O SER A 20 9.373 3.874 -7.857 1.00 7.26 O ATOM 320 CB SER A 20 11.963 2.266 -8.458 1.00 8.57 C ATOM 321 OG SER A 20 11.870 0.928 -9.030 1.00 11.13 O ATOM 0 H SER A 20 11.631 0.455 -6.913 1.00 6.80 H new ATOM 0 HA SER A 20 11.461 3.261 -6.476 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.602 2.990 -9.189 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.011 2.499 -8.269 1.00 8.57 H new ATOM 0 HG SER A 20 12.394 0.889 -9.857 1.00 11.13 H new ATOM 327 N ASP A 21 8.814 1.726 -7.449 1.00 7.50 N ATOM 328 CA ASP A 21 7.427 1.856 -7.670 1.00 7.70 C ATOM 329 C ASP A 21 6.738 2.839 -6.693 1.00 7.08 C ATOM 330 O ASP A 21 7.061 2.825 -5.529 1.00 8.11 O ATOM 331 CB ASP A 21 6.777 0.462 -7.549 1.00 11.00 C ATOM 332 CG ASP A 21 7.368 -0.566 -8.534 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.766 -0.180 -9.683 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.380 -1.748 -8.184 1.00 14.36 O ATOM 0 H ASP A 21 9.093 0.774 -7.212 1.00 7.50 H new ATOM 0 HA ASP A 21 7.292 2.272 -8.669 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.904 0.095 -6.530 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.705 0.551 -7.725 1.00 11.00 H new ATOM 339 N THR A 22 5.818 3.636 -7.187 1.00 5.37 N ATOM 340 CA THR A 22 4.987 4.508 -6.390 1.00 6.01 C ATOM 341 C THR A 22 3.942 3.750 -5.634 1.00 8.01 C ATOM 342 O THR A 22 3.572 2.586 -5.866 1.00 8.11 O ATOM 343 CB THR A 22 4.257 5.599 -7.225 1.00 8.92 C ATOM 344 OG1 THR A 22 3.372 5.102 -8.246 1.00 10.22 O ATOM 345 CG2 THR A 22 5.315 6.502 -7.896 1.00 9.65 C ATOM 0 H THR A 22 5.622 3.697 -8.186 1.00 5.37 H new ATOM 0 HA THR A 22 5.684 4.989 -5.704 1.00 6.01 H new ATOM 0 HB THR A 22 3.627 6.138 -6.517 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.958 5.856 -8.716 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.816 7.272 -8.485 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.930 6.973 -7.129 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.947 5.899 -8.548 1.00 9.65 H new ATOM 353 N ILE A 23 3.459 4.414 -4.573 1.00 8.32 N ATOM 354 CA ILE A 23 2.310 3.958 -3.728 1.00 9.92 C ATOM 355 C ILE A 23 1.030 3.699 -4.500 1.00 10.01 C ATOM 356 O ILE A 23 0.180 2.860 -4.216 1.00 8.71 O ATOM 357 CB ILE A 23 2.108 4.967 -2.636 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.356 4.900 -1.685 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.795 4.823 -1.827 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.657 3.522 -1.027 1.00 12.30 C ATOM 0 H ILE A 23 3.853 5.301 -4.260 1.00 8.32 H new ATOM 0 HA ILE A 23 2.565 2.984 -3.311 1.00 9.92 H new ATOM 0 HB ILE A 23 2.010 5.940 -3.118 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.234 5.205 -2.254 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.219 5.634 -0.891 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.750 5.601 -1.065 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.058 4.922 -2.498 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.768 3.844 -1.348 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.541 3.606 -0.395 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.805 3.215 -0.421 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.836 2.779 -1.804 1.00 12.30 H new ATOM 372 N GLU A 24 0.901 4.479 -5.598 1.00 9.54 N ATOM 373 CA GLU A 24 -0.187 4.391 -6.601 1.00 11.81 C ATOM 374 C GLU A 24 -0.072 3.076 -7.379 1.00 11.14 C ATOM 375 O GLU A 24 -1.029 2.369 -7.642 1.00 10.62 O ATOM 376 CB GLU A 24 -0.153 5.609 -7.548 1.00 19.24 C ATOM 377 CG GLU A 24 -1.455 5.780 -8.360 1.00 27.76 C ATOM 378 CD GLU A 24 -1.372 6.833 -9.398 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.295 7.505 -9.537 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.388 6.979 -10.114 1.00 34.80 O ATOM 0 H GLU A 24 1.575 5.213 -5.818 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.148 4.402 -6.087 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.025 6.512 -6.963 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.686 5.504 -8.236 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.704 4.831 -8.836 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.271 6.018 -7.677 1.00 27.76 H new ATOM 387 N ASN A 25 1.195 2.756 -7.768 1.00 9.43 N ATOM 388 CA ASN A 25 1.565 1.470 -8.395 1.00 10.96 C ATOM 389 C ASN A 25 1.291 0.329 -7.517 1.00 9.68 C ATOM 390 O ASN A 25 0.701 -0.666 -7.928 1.00 9.33 O ATOM 391 CB ASN A 25 3.057 1.521 -8.836 1.00 16.78 C ATOM 392 CG ASN A 25 3.284 0.500 -9.929 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.659 -0.636 -9.742 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.009 0.956 -11.179 1.00 24.70 N ATOM 0 H ASN A 25 1.985 3.391 -7.652 1.00 9.43 H new ATOM 0 HA ASN A 25 0.943 1.322 -9.278 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.309 2.519 -9.195 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.708 1.314 -7.986 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.117 0.337 -11.983 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.694 1.917 -11.314 1.00 24.70 H new ATOM 401 N VAL A 26 1.643 0.488 -6.212 1.00 6.52 N ATOM 402 CA VAL A 26 1.368 -0.510 -5.167 1.00 5.53 C ATOM 403 C VAL A 26 -0.192 -0.682 -4.987 1.00 4.42 C ATOM 404 O VAL A 26 -0.701 -1.831 -4.896 1.00 3.40 O ATOM 405 CB VAL A 26 2.004 -0.196 -3.751 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.687 -1.426 -2.922 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.495 -0.172 -3.891 1.00 8.12 C ATOM 0 H VAL A 26 2.126 1.317 -5.865 1.00 6.52 H new ATOM 0 HA VAL A 26 1.843 -1.425 -5.522 1.00 5.53 H new ATOM 0 HB VAL A 26 1.640 0.743 -3.334 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.090 -1.301 -1.917 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.607 -1.558 -2.865 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.136 -2.304 -3.387 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.948 0.043 -2.923 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.843 -1.142 -4.247 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.781 0.600 -4.605 1.00 8.12 H new ATOM 417 N LYS A 27 -0.947 0.415 -4.926 1.00 2.64 N ATOM 418 CA LYS A 27 -2.442 0.276 -4.851 1.00 4.14 C ATOM 419 C LYS A 27 -3.032 -0.338 -6.097 1.00 5.58 C ATOM 420 O LYS A 27 -4.058 -1.070 -6.007 1.00 4.11 O ATOM 421 CB LYS A 27 -3.192 1.570 -4.587 1.00 3.97 C ATOM 422 CG LYS A 27 -3.067 2.115 -3.143 1.00 7.45 C ATOM 423 CD LYS A 27 -3.942 3.406 -2.863 1.00 9.02 C ATOM 424 CE LYS A 27 -3.626 4.643 -3.700 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.950 5.925 -3.108 1.00 15.47 N ATOM 0 H LYS A 27 -0.594 1.372 -4.925 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.576 -0.382 -3.992 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.830 2.330 -5.279 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.247 1.413 -4.810 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.359 1.332 -2.444 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.021 2.347 -2.943 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.989 3.148 -3.019 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.832 3.670 -1.811 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.561 4.634 -3.933 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -4.160 4.560 -4.647 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.513 6.686 -3.666 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.982 6.052 -3.098 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.588 5.959 -2.134 1.00 15.47 H new ATOM 439 N ALA A 28 -2.510 -0.060 -7.268 1.00 6.61 N ATOM 440 CA ALA A 28 -2.814 -0.718 -8.528 1.00 7.74 C ATOM 441 C ALA A 28 -2.530 -2.227 -8.530 1.00 9.17 C ATOM 442 O ALA A 28 -3.303 -3.031 -9.056 1.00 11.45 O ATOM 443 CB ALA A 28 -2.016 -0.085 -9.691 1.00 7.68 C ATOM 0 H ALA A 28 -1.816 0.679 -7.379 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.886 -0.576 -8.661 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.262 -0.596 -10.622 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.274 0.970 -9.777 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.948 -0.183 -9.495 1.00 7.68 H new ATOM 449 N LYS A 29 -1.384 -2.648 -7.829 1.00 8.96 N ATOM 450 CA LYS A 29 -1.021 -4.080 -7.620 1.00 7.90 C ATOM 451 C LYS A 29 -2.083 -4.767 -6.744 1.00 6.92 C ATOM 452 O LYS A 29 -2.551 -5.889 -7.104 1.00 6.87 O ATOM 453 CB LYS A 29 0.402 -4.229 -7.025 1.00 10.28 C ATOM 454 CG LYS A 29 0.879 -5.701 -7.046 1.00 14.94 C ATOM 455 CD LYS A 29 2.443 -5.901 -7.267 1.00 19.69 C ATOM 456 CE LYS A 29 2.931 -5.664 -8.747 1.00 22.63 C ATOM 457 NZ LYS A 29 4.388 -5.393 -8.835 1.00 24.98 N ATOM 0 H LYS A 29 -0.719 -1.996 -7.413 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.003 -4.577 -8.590 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.100 -3.612 -7.591 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.409 -3.859 -6.000 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.598 -6.171 -6.104 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.346 -6.228 -7.837 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.980 -5.219 -6.607 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.713 -6.914 -6.967 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.692 -6.541 -9.349 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.383 -4.825 -9.176 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.698 -5.480 -9.824 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.583 -4.430 -8.494 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.905 -6.079 -8.249 1.00 24.98 H new ATOM 471 N ILE A 30 -2.560 -4.164 -5.626 1.00 4.57 N ATOM 472 CA ILE A 30 -3.520 -4.652 -4.751 1.00 5.58 C ATOM 473 C ILE A 30 -4.892 -4.751 -5.377 1.00 7.26 C ATOM 474 O ILE A 30 -5.646 -5.734 -5.231 1.00 9.46 O ATOM 475 CB ILE A 30 -3.695 -3.922 -3.430 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.320 -4.019 -2.704 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.871 -4.459 -2.572 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.225 -2.874 -1.730 1.00 2.00 C ATOM 0 H ILE A 30 -2.218 -3.247 -5.337 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.097 -5.631 -4.527 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.975 -2.883 -3.605 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.231 -4.972 -2.182 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.504 -3.974 -3.426 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.934 -3.890 -1.645 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.804 -4.354 -3.127 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.702 -5.511 -2.341 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.269 -2.919 -1.208 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.299 -1.930 -2.270 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.038 -2.943 -1.007 1.00 2.00 H new ATOM 490 N GLN A 31 -5.300 -3.736 -6.138 1.00 7.06 N ATOM 491 CA GLN A 31 -6.423 -3.837 -7.053 1.00 8.67 C ATOM 492 C GLN A 31 -6.332 -4.941 -8.084 1.00 10.90 C ATOM 493 O GLN A 31 -7.298 -5.646 -8.360 1.00 9.63 O ATOM 494 CB GLN A 31 -6.518 -2.548 -7.924 1.00 9.12 C ATOM 495 CG GLN A 31 -7.840 -2.445 -8.773 1.00 10.76 C ATOM 496 CD GLN A 31 -7.718 -1.148 -9.605 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.728 -0.742 -10.143 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.869 -0.489 -9.717 1.00 14.76 N ATOM 0 H GLN A 31 -4.855 -2.818 -6.133 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.266 -4.019 -6.387 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.447 -1.676 -7.273 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.662 -2.513 -8.598 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.955 -3.314 -9.421 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.717 -2.411 -8.126 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.707 -0.843 -9.255 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.914 0.370 -10.265 1.00 14.76 H new ATOM 507 N ASP A 32 -5.157 -5.221 -8.622 1.00 10.93 N ATOM 508 CA ASP A 32 -4.919 -6.385 -9.479 1.00 14.01 C ATOM 509 C ASP A 32 -5.167 -7.652 -8.701 1.00 14.04 C ATOM 510 O ASP A 32 -5.750 -8.589 -9.174 1.00 13.39 O ATOM 511 CB ASP A 32 -3.523 -6.319 -10.175 1.00 18.01 C ATOM 512 CG ASP A 32 -3.560 -7.176 -11.422 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.265 -6.899 -12.409 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.841 -8.238 -11.423 1.00 25.17 O ATOM 0 H ASP A 32 -4.328 -4.644 -8.478 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.632 -6.380 -10.303 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.278 -5.289 -10.432 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.746 -6.672 -9.497 1.00 18.01 H new ATOM 519 N LYS A 33 -4.699 -7.800 -7.426 1.00 14.22 N ATOM 520 CA LYS A 33 -4.865 -8.916 -6.540 1.00 14.00 C ATOM 521 C LYS A 33 -6.284 -9.143 -6.115 1.00 12.37 C ATOM 522 O LYS A 33 -6.757 -10.238 -6.408 1.00 12.17 O ATOM 523 CB LYS A 33 -3.915 -8.599 -5.309 1.00 18.62 C ATOM 524 CG LYS A 33 -3.208 -9.851 -4.676 1.00 24.00 C ATOM 525 CD LYS A 33 -4.087 -10.936 -3.953 1.00 27.61 C ATOM 526 CE LYS A 33 -4.446 -12.114 -4.791 1.00 27.64 C ATOM 527 NZ LYS A 33 -5.368 -12.901 -3.977 1.00 30.06 N ATOM 0 H LYS A 33 -4.153 -7.059 -6.986 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.602 -9.849 -7.039 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.150 -7.893 -5.632 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.501 -8.102 -4.536 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.653 -10.352 -5.469 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.476 -9.487 -3.955 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.552 -11.286 -3.070 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -5.005 -10.464 -3.603 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -4.913 -11.804 -5.726 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.561 -12.694 -5.054 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -5.916 -13.537 -4.590 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.829 -13.464 -3.288 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -6.016 -12.263 -3.472 1.00 30.06 H new ATOM 541 N GLU A 34 -7.001 -8.203 -5.522 1.00 10.11 N ATOM 542 CA GLU A 34 -8.312 -8.384 -4.896 1.00 10.07 C ATOM 543 C GLU A 34 -9.406 -7.489 -5.554 1.00 9.32 C ATOM 544 O GLU A 34 -10.520 -7.577 -5.085 1.00 11.61 O ATOM 545 CB GLU A 34 -8.194 -8.071 -3.367 1.00 14.77 C ATOM 546 CG GLU A 34 -7.361 -9.048 -2.518 1.00 18.75 C ATOM 547 CD GLU A 34 -7.887 -10.494 -2.654 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.859 -10.753 -1.926 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.448 -11.364 -3.465 1.00 21.95 O ATOM 0 H GLU A 34 -6.672 -7.240 -5.458 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.622 -9.419 -5.043 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.765 -7.075 -3.257 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.200 -8.032 -2.950 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.318 -9.007 -2.830 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.393 -8.743 -1.472 1.00 18.75 H new ATOM 556 N GLY A 35 -9.167 -6.586 -6.537 1.00 7.22 N ATOM 557 CA GLY A 35 -10.204 -5.808 -7.063 1.00 6.29 C ATOM 558 C GLY A 35 -10.571 -4.494 -6.257 1.00 6.93 C ATOM 559 O GLY A 35 -11.498 -3.794 -6.636 1.00 7.41 O ATOM 0 H GLY A 35 -8.250 -6.413 -6.950 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.936 -5.522 -8.080 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.097 -6.429 -7.131 1.00 6.29 H new ATOM 563 N ILE A 36 -9.905 -4.184 -5.154 1.00 5.86 N ATOM 564 CA ILE A 36 -10.311 -3.127 -4.280 1.00 6.07 C ATOM 565 C ILE A 36 -9.925 -1.765 -4.920 1.00 6.36 C ATOM 566 O ILE A 36 -8.810 -1.766 -5.464 1.00 6.18 O ATOM 567 CB ILE A 36 -9.574 -3.208 -2.966 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.875 -4.589 -2.370 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.986 -2.144 -2.036 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.822 -4.990 -1.258 1.00 9.49 C ATOM 0 H ILE A 36 -9.062 -4.672 -4.850 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.386 -3.215 -4.120 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.505 -3.071 -3.132 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.876 -4.589 -1.940 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.869 -5.337 -3.163 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.430 -2.241 -1.103 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.780 -1.171 -2.482 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.053 -2.231 -1.833 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.070 -5.974 -0.860 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.824 -5.016 -1.695 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.847 -4.256 -0.452 1.00 9.49 H new ATOM 582 N PRO A 37 -10.704 -0.723 -5.061 1.00 8.65 N ATOM 583 CA PRO A 37 -10.310 0.433 -5.849 1.00 9.18 C ATOM 584 C PRO A 37 -9.277 1.291 -5.134 1.00 9.85 C ATOM 585 O PRO A 37 -9.380 1.513 -3.942 1.00 8.51 O ATOM 586 CB PRO A 37 -11.594 1.269 -6.012 1.00 11.42 C ATOM 587 CG PRO A 37 -12.747 0.367 -5.652 1.00 9.27 C ATOM 588 CD PRO A 37 -12.067 -0.631 -4.638 1.00 8.33 C ATOM 0 HA PRO A 37 -9.868 0.109 -6.791 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.571 2.145 -5.363 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.692 1.633 -7.035 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.570 0.917 -5.196 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.152 -0.147 -6.523 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.138 -0.262 -3.615 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.553 -1.606 -4.660 1.00 8.33 H new ATOM 596 N PRO A 38 -8.237 1.821 -5.807 1.00 8.71 N ATOM 597 CA PRO A 38 -7.240 2.675 -5.100 1.00 9.08 C ATOM 598 C PRO A 38 -7.682 4.034 -4.438 1.00 9.28 C ATOM 599 O PRO A 38 -7.083 4.472 -3.483 1.00 6.50 O ATOM 600 CB PRO A 38 -6.289 2.946 -6.287 1.00 10.31 C ATOM 601 CG PRO A 38 -6.258 1.624 -7.123 1.00 10.81 C ATOM 602 CD PRO A 38 -7.745 1.325 -7.065 1.00 12.00 C ATOM 0 HA PRO A 38 -6.877 2.169 -4.206 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.645 3.781 -6.890 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.291 3.209 -5.936 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.889 1.768 -8.139 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.646 0.844 -6.669 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.265 1.803 -7.895 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.924 0.253 -7.151 1.00 12.00 H new ATOM 610 N ASP A 39 -8.737 4.692 -4.949 1.00 11.20 N ATOM 611 CA ASP A 39 -9.423 5.717 -4.217 1.00 14.96 C ATOM 612 C ASP A 39 -10.015 5.133 -2.898 1.00 13.99 C ATOM 613 O ASP A 39 -10.146 5.802 -1.903 1.00 13.75 O ATOM 614 CB ASP A 39 -10.705 6.213 -4.975 1.00 24.16 C ATOM 615 CG ASP A 39 -10.335 6.915 -6.245 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.629 7.930 -6.154 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.695 6.495 -7.346 1.00 34.22 O ATOM 0 H ASP A 39 -9.120 4.514 -5.877 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.688 6.508 -4.066 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.352 5.364 -5.199 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.274 6.887 -4.334 1.00 24.16 H new ATOM 622 N GLN A 40 -10.474 3.885 -2.780 1.00 11.60 N ATOM 623 CA GLN A 40 -10.962 3.343 -1.524 1.00 10.76 C ATOM 624 C GLN A 40 -9.805 2.905 -0.628 1.00 8.01 C ATOM 625 O GLN A 40 -9.925 3.020 0.604 1.00 8.96 O ATOM 626 CB GLN A 40 -11.979 2.172 -1.876 1.00 11.14 C ATOM 627 CG GLN A 40 -12.686 1.462 -0.591 1.00 14.85 C ATOM 628 CD GLN A 40 -13.680 0.355 -1.015 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.534 -0.806 -0.644 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.624 0.749 -1.898 1.00 18.16 N ATOM 0 H GLN A 40 -10.515 3.226 -3.558 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.490 4.099 -0.943 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.758 2.571 -2.525 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.448 1.410 -2.446 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.919 1.033 0.054 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.211 2.215 -0.004 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.694 1.731 -2.166 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.267 0.065 -2.296 1.00 18.16 H new ATOM 639 N GLN A 41 -8.706 2.283 -1.216 1.00 6.52 N ATOM 640 CA GLN A 41 -7.570 1.917 -0.408 1.00 3.87 C ATOM 641 C GLN A 41 -6.814 3.096 0.126 1.00 4.79 C ATOM 642 O GLN A 41 -6.615 4.148 -0.498 1.00 6.34 O ATOM 643 CB GLN A 41 -6.527 1.142 -1.310 1.00 4.20 C ATOM 644 CG GLN A 41 -7.089 -0.144 -1.931 1.00 3.20 C ATOM 645 CD GLN A 41 -6.106 -0.783 -2.891 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.890 -0.824 -2.509 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.451 -1.230 -4.085 1.00 7.13 N ATOM 0 H GLN A 41 -8.627 2.053 -2.207 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.971 1.330 0.418 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.187 1.803 -2.108 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.653 0.893 -0.708 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.336 -0.852 -1.140 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.016 0.082 -2.458 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.426 -1.193 -4.381 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.742 -1.612 -4.711 1.00 7.13 H new ATOM 656 N ARG A 42 -6.190 2.918 1.278 1.00 5.73 N ATOM 657 CA ARG A 42 -5.244 3.874 1.866 1.00 6.97 C ATOM 658 C ARG A 42 -4.131 3.080 2.488 1.00 7.15 C ATOM 659 O ARG A 42 -4.343 2.214 3.344 1.00 7.33 O ATOM 660 CB ARG A 42 -5.931 4.829 2.943 1.00 13.23 C ATOM 661 CG ARG A 42 -7.060 5.747 2.453 1.00 21.27 C ATOM 662 CD ARG A 42 -7.789 6.308 3.711 1.00 26.14 C ATOM 663 NE ARG A 42 -8.602 7.500 3.169 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.489 8.209 3.867 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.889 7.883 5.129 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.976 9.299 3.348 1.00 36.39 N ATOM 0 H ARG A 42 -6.325 2.085 1.852 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.865 4.533 1.085 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.328 4.204 3.743 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.154 5.455 3.383 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.658 6.560 1.849 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.756 5.195 1.821 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.436 5.557 4.166 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.080 6.623 4.476 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.449 7.768 2.197 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.505 7.057 5.588 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.572 8.465 5.614 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.678 9.599 2.420 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.656 9.853 3.869 1.00 36.39 H new ATOM 680 N LEU A 43 -2.885 3.295 2.063 1.00 4.65 N ATOM 681 CA LEU A 43 -1.718 2.611 2.529 1.00 3.51 C ATOM 682 C LEU A 43 -1.074 3.367 3.685 1.00 5.56 C ATOM 683 O LEU A 43 -1.323 4.597 3.847 1.00 4.19 O ATOM 684 CB LEU A 43 -0.673 2.179 1.462 1.00 3.74 C ATOM 685 CG LEU A 43 -1.269 1.284 0.345 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.125 0.887 -0.657 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.023 0.008 0.815 1.00 6.41 C ATOM 0 H LEU A 43 -2.671 3.990 1.348 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.102 1.652 2.878 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.237 3.070 1.010 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.138 1.642 1.954 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.039 1.893 -0.128 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.535 0.257 -1.446 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.302 1.788 -1.097 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.652 0.340 -0.123 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.394 -0.536 -0.054 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.342 -0.630 1.379 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.862 0.294 1.450 1.00 6.41 H new ATOM 699 N ILE A 44 -0.324 2.665 4.556 1.00 4.58 N ATOM 700 CA ILE A 44 0.196 3.099 5.861 1.00 5.55 C ATOM 701 C ILE A 44 1.515 2.446 6.155 1.00 5.46 C ATOM 702 O ILE A 44 1.526 1.226 6.001 1.00 6.04 O ATOM 703 CB ILE A 44 -0.854 2.941 7.047 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.163 3.597 6.703 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.250 3.702 8.284 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.232 3.675 7.792 1.00 13.90 C ATOM 0 H ILE A 44 -0.046 1.706 4.347 1.00 4.58 H new ATOM 0 HA ILE A 44 0.370 4.173 5.792 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.034 1.884 7.241 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.950 4.613 6.370 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.590 3.065 5.853 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.934 3.624 9.129 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.709 3.258 8.552 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.105 4.752 8.030 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.118 4.173 7.397 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.496 2.668 8.116 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.846 4.240 8.641 1.00 13.90 H new ATOM 718 N PHE A 45 2.559 3.208 6.558 1.00 6.75 N ATOM 719 CA PHE A 45 3.757 2.600 7.125 1.00 4.70 C ATOM 720 C PHE A 45 4.495 3.505 8.093 1.00 6.34 C ATOM 721 O PHE A 45 4.405 4.719 7.924 1.00 5.45 O ATOM 722 CB PHE A 45 4.583 1.970 5.967 1.00 5.51 C ATOM 723 CG PHE A 45 5.973 1.603 6.363 1.00 5.98 C ATOM 724 CD1 PHE A 45 7.030 2.512 6.248 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.208 0.312 6.854 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.295 2.164 6.618 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.474 0.012 7.314 1.00 6.68 C ATOM 728 CZ PHE A 45 8.540 0.884 7.022 1.00 6.84 C ATOM 0 H PHE A 45 2.585 4.226 6.497 1.00 6.75 H new ATOM 0 HA PHE A 45 3.493 1.780 7.792 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.069 1.079 5.606 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.624 2.673 5.135 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.841 3.502 5.861 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.421 -0.427 6.872 1.00 6.86 H new ATOM 0 HE1 PHE A 45 9.093 2.892 6.592 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.645 -0.884 7.893 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.558 0.537 7.118 1.00 6.84 H new ATOM 738 N ALA A 46 5.012 3.009 9.237 1.00 6.53 N ATOM 739 CA ALA A 46 5.821 3.779 10.213 1.00 7.15 C ATOM 740 C ALA A 46 5.012 4.913 10.758 1.00 9.00 C ATOM 741 O ALA A 46 5.540 6.005 10.920 1.00 11.15 O ATOM 742 CB ALA A 46 7.141 4.184 9.551 1.00 8.99 C ATOM 0 H ALA A 46 4.876 2.038 9.517 1.00 6.53 H new ATOM 0 HA ALA A 46 6.089 3.177 11.081 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.744 4.751 10.260 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.684 3.290 9.246 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.935 4.800 8.676 1.00 8.99 H new ATOM 748 N GLY A 47 3.747 4.672 11.039 1.00 9.35 N ATOM 749 CA GLY A 47 2.798 5.586 11.702 1.00 11.68 C ATOM 750 C GLY A 47 2.193 6.553 10.742 1.00 11.14 C ATOM 751 O GLY A 47 1.392 7.375 11.179 1.00 13.93 O ATOM 0 H GLY A 47 3.313 3.780 10.801 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.008 5.006 12.179 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.313 6.133 12.492 1.00 11.68 H new ATOM 755 N LYS A 48 2.611 6.607 9.434 1.00 10.47 N ATOM 756 CA LYS A 48 2.020 7.565 8.528 1.00 8.82 C ATOM 757 C LYS A 48 1.438 6.946 7.290 1.00 7.68 C ATOM 758 O LYS A 48 2.003 6.076 6.653 1.00 6.47 O ATOM 759 CB LYS A 48 3.019 8.686 8.038 1.00 9.74 C ATOM 760 CG LYS A 48 3.471 9.524 9.257 1.00 14.14 C ATOM 761 CD LYS A 48 4.317 10.696 8.802 1.00 16.32 C ATOM 762 CE LYS A 48 5.382 10.411 7.757 1.00 20.04 C ATOM 763 NZ LYS A 48 6.121 11.690 7.594 1.00 23.92 N ATOM 0 H LYS A 48 3.330 6.009 9.026 1.00 10.47 H new ATOM 0 HA LYS A 48 1.232 8.005 9.140 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.883 8.234 7.551 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.535 9.326 7.300 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.599 9.886 9.802 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.041 8.900 9.945 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.650 11.462 8.406 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.807 11.121 9.678 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.047 9.611 8.081 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.934 10.092 6.816 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.873 11.569 6.886 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.465 12.432 7.278 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.543 11.966 8.504 1.00 23.92 H new ATOM 777 N GLN A 49 0.169 7.383 6.977 1.00 8.89 N ATOM 778 CA GLN A 49 -0.429 7.077 5.727 1.00 7.18 C ATOM 779 C GLN A 49 0.429 7.462 4.484 1.00 8.23 C ATOM 780 O GLN A 49 1.085 8.488 4.460 1.00 9.70 O ATOM 781 CB GLN A 49 -1.812 7.687 5.749 1.00 11.67 C ATOM 782 CG GLN A 49 -2.792 7.111 4.700 1.00 15.82 C ATOM 783 CD GLN A 49 -4.091 7.838 4.764 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.919 7.832 5.666 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.294 8.559 3.664 1.00 20.67 N ATOM 0 H GLN A 49 -0.414 7.940 7.601 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.500 5.996 5.605 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.240 7.546 6.741 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.722 8.762 5.590 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.364 7.202 3.702 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.951 6.048 4.883 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.599 8.558 2.918 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.145 9.113 3.567 1.00 20.67 H new ATOM 794 N LEU A 50 0.468 6.651 3.428 1.00 6.51 N ATOM 795 CA LEU A 50 1.459 6.834 2.357 1.00 7.41 C ATOM 796 C LEU A 50 0.855 7.408 1.141 1.00 8.27 C ATOM 797 O LEU A 50 -0.376 7.200 0.878 1.00 8.34 O ATOM 798 CB LEU A 50 2.227 5.519 1.857 1.00 7.13 C ATOM 799 CG LEU A 50 2.571 4.603 3.068 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.896 3.135 2.613 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.622 5.326 3.874 1.00 9.11 C ATOM 0 H LEU A 50 -0.167 5.866 3.287 1.00 6.51 H new ATOM 0 HA LEU A 50 2.178 7.494 2.843 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.606 4.975 1.145 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.141 5.800 1.333 1.00 7.13 H new ATOM 0 HG LEU A 50 1.722 4.438 3.731 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.131 2.527 3.487 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.032 2.714 2.099 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.751 3.144 1.937 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.898 4.721 4.738 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.502 5.496 3.254 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.226 6.283 4.213 1.00 9.11 H new ATOM 813 N GLU A 51 1.624 8.222 0.383 1.00 9.43 N ATOM 814 CA GLU A 51 1.069 9.165 -0.537 1.00 11.90 C ATOM 815 C GLU A 51 1.233 8.603 -1.924 1.00 11.49 C ATOM 816 O GLU A 51 2.325 8.126 -2.279 1.00 9.88 O ATOM 817 CB GLU A 51 1.611 10.622 -0.381 1.00 16.56 C ATOM 818 CG GLU A 51 1.178 11.324 0.956 1.00 26.06 C ATOM 819 CD GLU A 51 1.491 12.769 0.893 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.922 13.475 0.062 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.288 13.258 1.727 1.00 33.44 O ATOM 0 H GLU A 51 2.644 8.222 0.413 1.00 9.43 H new ATOM 0 HA GLU A 51 0.010 9.291 -0.314 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.700 10.601 -0.433 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.263 11.220 -1.223 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.110 11.182 1.122 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.695 10.868 1.800 1.00 26.06 H new ATOM 828 N ASP A 52 0.187 8.726 -2.746 1.00 12.71 N ATOM 829 CA ASP A 52 0.055 8.196 -4.070 1.00 16.56 C ATOM 830 C ASP A 52 1.314 8.289 -5.005 1.00 15.83 C ATOM 831 O ASP A 52 1.783 7.272 -5.539 1.00 17.21 O ATOM 832 CB ASP A 52 -1.032 9.014 -4.803 1.00 21.05 C ATOM 833 CG ASP A 52 -2.451 8.805 -4.267 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.047 7.793 -4.649 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.994 9.599 -3.454 1.00 28.37 O ATOM 0 H ASP A 52 -0.645 9.243 -2.463 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.155 7.138 -3.910 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.782 10.073 -4.732 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.014 8.753 -5.861 1.00 21.05 H new ATOM 840 N GLY A 53 1.895 9.580 -5.114 1.00 15.00 N ATOM 841 CA GLY A 53 3.012 10.054 -5.947 1.00 11.77 C ATOM 842 C GLY A 53 4.322 9.754 -5.367 1.00 11.10 C ATOM 843 O GLY A 53 5.349 10.101 -5.934 1.00 11.25 O ATOM 0 H GLY A 53 1.525 10.346 -4.551 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.943 9.595 -6.933 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.921 11.131 -6.089 1.00 11.77 H new ATOM 847 N ARG A 54 4.461 9.071 -4.244 1.00 8.53 N ATOM 848 CA ARG A 54 5.699 8.864 -3.472 1.00 9.05 C ATOM 849 C ARG A 54 6.052 7.417 -3.789 1.00 8.96 C ATOM 850 O ARG A 54 5.278 6.605 -4.187 1.00 11.60 O ATOM 851 CB ARG A 54 5.565 9.038 -1.932 1.00 7.97 C ATOM 852 CG ARG A 54 5.485 10.561 -1.545 1.00 9.62 C ATOM 853 CD ARG A 54 6.653 11.380 -1.941 1.00 12.20 C ATOM 854 NE ARG A 54 6.424 12.767 -1.318 1.00 18.23 N ATOM 855 CZ ARG A 54 7.158 13.843 -1.615 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.299 13.774 -2.272 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.701 14.995 -1.203 1.00 23.38 N ATOM 0 H ARG A 54 3.663 8.610 -3.807 1.00 8.53 H new ATOM 0 HA ARG A 54 6.443 9.611 -3.748 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.672 8.522 -1.580 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.418 8.576 -1.434 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.592 10.988 -2.002 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.358 10.638 -0.465 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.581 10.938 -1.579 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.733 11.447 -3.026 1.00 12.20 H new ATOM 0 HE ARG A 54 5.669 12.871 -0.640 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.658 12.869 -2.578 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.823 14.625 -2.475 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.825 15.040 -0.683 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.220 15.850 -1.401 1.00 23.38 H new ATOM 871 N THR A 55 7.344 7.072 -3.587 1.00 9.05 N ATOM 872 CA THR A 55 7.802 5.777 -3.859 1.00 9.03 C ATOM 873 C THR A 55 8.013 4.967 -2.582 1.00 8.15 C ATOM 874 O THR A 55 8.048 5.506 -1.501 1.00 5.91 O ATOM 875 CB THR A 55 9.004 5.651 -4.804 1.00 11.15 C ATOM 876 OG1 THR A 55 10.161 6.067 -4.188 1.00 11.95 O ATOM 877 CG2 THR A 55 8.728 6.548 -6.008 1.00 11.71 C ATOM 0 H THR A 55 8.058 7.709 -3.233 1.00 9.05 H new ATOM 0 HA THR A 55 6.981 5.346 -4.432 1.00 9.03 H new ATOM 0 HB THR A 55 9.136 4.610 -5.099 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.079 7.012 -3.942 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.563 6.486 -6.706 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.815 6.220 -6.504 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.610 7.579 -5.674 1.00 11.71 H new ATOM 885 N LEU A 56 8.168 3.611 -2.658 1.00 6.91 N ATOM 886 CA LEU A 56 8.528 2.686 -1.545 1.00 8.29 C ATOM 887 C LEU A 56 9.834 3.045 -0.936 1.00 8.05 C ATOM 888 O LEU A 56 9.969 3.193 0.303 1.00 10.17 O ATOM 889 CB LEU A 56 8.621 1.252 -2.129 1.00 6.60 C ATOM 890 CG LEU A 56 7.304 0.508 -2.553 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.370 -0.495 -3.588 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.691 -0.140 -1.272 1.00 8.64 C ATOM 0 H LEU A 56 8.039 3.113 -3.539 1.00 6.91 H new ATOM 0 HA LEU A 56 7.767 2.754 -0.768 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.269 1.296 -3.005 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.126 0.629 -1.390 1.00 6.60 H new ATOM 0 HG LEU A 56 6.700 1.291 -3.012 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.376 -0.909 -3.758 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.737 -0.043 -4.509 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.047 -1.292 -3.280 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.773 -0.666 -1.534 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.404 -0.845 -0.844 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.468 0.638 -0.542 1.00 8.64 H new ATOM 904 N SER A 57 10.832 3.395 -1.835 1.00 8.92 N ATOM 905 CA SER A 57 12.160 3.741 -1.437 1.00 9.00 C ATOM 906 C SER A 57 12.191 5.051 -0.638 1.00 9.44 C ATOM 907 O SER A 57 12.946 5.163 0.314 1.00 10.91 O ATOM 908 CB SER A 57 13.072 4.013 -2.646 1.00 10.32 C ATOM 909 OG SER A 57 14.507 4.010 -2.352 1.00 13.59 O ATOM 0 H SER A 57 10.686 3.429 -2.844 1.00 8.92 H new ATOM 0 HA SER A 57 12.502 2.889 -0.849 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.871 3.262 -3.410 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.806 4.980 -3.073 1.00 10.32 H new ATOM 0 HG SER A 57 15.010 4.189 -3.174 1.00 13.59 H new ATOM 915 N ASP A 58 11.309 6.024 -0.961 1.00 9.11 N ATOM 916 CA ASP A 58 11.196 7.295 -0.222 1.00 7.91 C ATOM 917 C ASP A 58 10.794 7.304 1.239 1.00 9.12 C ATOM 918 O ASP A 58 11.099 8.223 2.009 1.00 8.61 O ATOM 919 CB ASP A 58 10.163 8.211 -0.920 1.00 8.41 C ATOM 920 CG ASP A 58 10.614 8.733 -2.224 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.637 9.417 -2.267 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.979 8.478 -3.265 1.00 11.70 O ATOM 0 H ASP A 58 10.657 5.947 -1.742 1.00 9.11 H new ATOM 0 HA ASP A 58 12.238 7.616 -0.236 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.236 7.655 -1.063 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.933 9.050 -0.263 1.00 8.41 H new ATOM 927 N TYR A 59 10.090 6.216 1.583 1.00 7.97 N ATOM 928 CA TYR A 59 9.504 5.996 2.907 1.00 8.45 C ATOM 929 C TYR A 59 10.260 4.947 3.679 1.00 10.98 C ATOM 930 O TYR A 59 9.959 4.515 4.768 1.00 12.95 O ATOM 931 CB TYR A 59 8.008 5.640 2.923 1.00 7.94 C ATOM 932 CG TYR A 59 7.052 6.767 2.523 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.001 7.894 3.328 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.258 6.643 1.394 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.015 8.880 3.040 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.158 7.582 1.198 1.00 6.52 C ATOM 937 CZ TYR A 59 5.150 8.672 2.005 1.00 6.76 C ATOM 938 OH TYR A 59 4.178 9.633 1.830 1.00 7.63 O ATOM 0 H TYR A 59 9.910 5.451 0.933 1.00 7.97 H new ATOM 0 HA TYR A 59 9.593 6.972 3.385 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.847 4.797 2.251 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.744 5.304 3.926 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.690 8.021 4.150 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.450 5.864 0.671 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.952 9.781 3.633 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.394 7.418 0.453 1.00 6.52 H new ATOM 0 HH TYR A 59 4.518 10.501 2.132 1.00 7.63 H new ATOM 948 N ASN A 60 11.329 4.455 2.988 1.00 12.38 N ATOM 949 CA ASN A 60 12.266 3.460 3.468 1.00 13.94 C ATOM 950 C ASN A 60 11.554 2.152 3.775 1.00 14.16 C ATOM 951 O ASN A 60 11.859 1.459 4.751 1.00 14.26 O ATOM 952 CB ASN A 60 13.196 3.912 4.666 1.00 19.23 C ATOM 953 CG ASN A 60 14.052 5.148 4.244 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.905 6.239 4.798 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.844 4.945 3.202 1.00 24.09 N ATOM 0 H ASN A 60 11.548 4.771 2.043 1.00 12.38 H new ATOM 0 HA ASN A 60 12.961 3.312 2.641 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.587 4.161 5.535 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.849 3.090 4.959 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.379 5.720 2.810 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.919 4.014 2.792 1.00 24.09 H new ATOM 962 N ILE A 61 10.655 1.744 2.864 1.00 11.08 N ATOM 963 CA ILE A 61 9.992 0.440 2.820 1.00 11.78 C ATOM 964 C ILE A 61 10.897 -0.442 2.033 1.00 13.74 C ATOM 965 O ILE A 61 11.342 -0.159 0.941 1.00 14.60 O ATOM 966 CB ILE A 61 8.642 0.557 2.112 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.652 1.459 2.938 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.076 -0.831 1.824 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.361 1.955 2.287 1.00 11.42 C ATOM 0 H ILE A 61 10.359 2.351 2.100 1.00 11.08 H new ATOM 0 HA ILE A 61 9.807 0.050 3.821 1.00 11.78 H new ATOM 0 HB ILE A 61 8.783 1.053 1.152 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.373 0.903 3.833 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.208 2.336 3.269 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.115 -0.734 1.320 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.767 -1.380 1.185 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.941 -1.371 2.761 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.803 2.561 3.001 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.603 2.557 1.411 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.755 1.101 1.984 1.00 11.42 H new ATOM 981 N GLN A 62 11.310 -1.558 2.695 1.00 13.97 N ATOM 982 CA GLN A 62 12.333 -2.451 2.263 1.00 15.52 C ATOM 983 C GLN A 62 11.761 -3.880 2.071 1.00 13.94 C ATOM 984 O GLN A 62 10.554 -4.158 2.223 1.00 12.15 O ATOM 985 CB GLN A 62 13.601 -2.516 3.207 1.00 19.53 C ATOM 986 CG GLN A 62 14.379 -1.165 3.484 1.00 26.38 C ATOM 987 CD GLN A 62 15.501 -1.600 4.388 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.943 -2.749 4.433 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.058 -0.603 5.000 1.00 32.71 N ATOM 0 H GLN A 62 10.896 -1.841 3.583 1.00 13.97 H new ATOM 0 HA GLN A 62 12.681 -2.041 1.315 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.285 -2.924 4.167 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.305 -3.227 2.775 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.753 -0.718 2.563 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.740 -0.422 3.962 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.651 0.330 4.930 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.903 -0.751 5.551 1.00 32.71 H new ATOM 998 N LYS A 63 12.635 -4.787 1.652 1.00 11.73 N ATOM 999 CA LYS A 63 12.313 -6.192 1.454 1.00 11.97 C ATOM 1000 C LYS A 63 11.770 -6.844 2.654 1.00 10.41 C ATOM 1001 O LYS A 63 12.331 -6.789 3.769 1.00 9.59 O ATOM 1002 CB LYS A 63 13.660 -6.855 1.062 1.00 13.73 C ATOM 1003 CG LYS A 63 13.578 -8.322 0.771 1.00 16.98 C ATOM 1004 CD LYS A 63 14.810 -8.911 0.062 1.00 20.19 C ATOM 1005 CE LYS A 63 16.076 -9.030 0.904 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.115 -10.150 1.921 1.00 25.97 N ATOM 0 H LYS A 63 13.606 -4.561 1.437 1.00 11.73 H new ATOM 0 HA LYS A 63 11.535 -6.294 0.698 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.057 -6.346 0.183 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.374 -6.699 1.870 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.427 -8.856 1.709 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.699 -8.507 0.154 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.551 -9.902 -0.309 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.033 -8.293 -0.808 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.923 -9.154 0.229 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.224 -8.087 1.431 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.023 -10.127 2.428 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.336 -10.030 2.599 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.013 -11.064 1.435 1.00 25.97 H new ATOM 1020 N GLU A 64 10.562 -7.428 2.498 1.00 10.04 N ATOM 1021 CA GLU A 64 9.766 -8.132 3.473 1.00 10.94 C ATOM 1022 C GLU A 64 9.405 -7.260 4.613 1.00 9.74 C ATOM 1023 O GLU A 64 9.483 -7.552 5.781 1.00 9.42 O ATOM 1024 CB GLU A 64 10.551 -9.432 3.797 1.00 18.31 C ATOM 1025 CG GLU A 64 10.502 -10.363 2.525 1.00 24.16 C ATOM 1026 CD GLU A 64 11.237 -11.674 2.838 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.651 -12.605 3.392 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.492 -11.786 2.542 1.00 31.72 O ATOM 0 H GLU A 64 10.093 -7.404 1.592 1.00 10.04 H new ATOM 0 HA GLU A 64 8.781 -8.423 3.106 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.583 -9.198 4.058 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.111 -9.938 4.656 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.468 -10.568 2.248 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.967 -9.864 1.675 1.00 24.16 H new ATOM 1035 N SER A 65 8.793 -6.109 4.262 1.00 6.85 N ATOM 1036 CA SER A 65 8.282 -5.134 5.243 1.00 6.90 C ATOM 1037 C SER A 65 6.796 -5.327 5.352 1.00 4.72 C ATOM 1038 O SER A 65 6.173 -5.906 4.480 1.00 3.91 O ATOM 1039 CB SER A 65 8.596 -3.696 4.834 1.00 7.28 C ATOM 1040 OG SER A 65 8.263 -2.772 5.886 1.00 10.56 O ATOM 0 H SER A 65 8.641 -5.832 3.292 1.00 6.85 H new ATOM 0 HA SER A 65 8.770 -5.303 6.203 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.655 -3.607 4.590 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.039 -3.441 3.933 1.00 7.28 H new ATOM 0 HG SER A 65 8.178 -1.869 5.514 1.00 10.56 H new ATOM 1046 N THR A 66 6.204 -4.789 6.440 1.00 4.48 N ATOM 1047 CA THR A 66 4.719 -4.870 6.625 1.00 3.80 C ATOM 1048 C THR A 66 4.118 -3.485 6.632 1.00 4.60 C ATOM 1049 O THR A 66 4.354 -2.640 7.507 1.00 5.33 O ATOM 1050 CB THR A 66 4.268 -5.671 7.788 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.774 -7.019 7.845 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.696 -5.727 7.897 1.00 3.40 C ATOM 0 H THR A 66 6.703 -4.307 7.188 1.00 4.48 H new ATOM 0 HA THR A 66 4.346 -5.427 5.765 1.00 3.80 H new ATOM 0 HB THR A 66 4.695 -5.132 8.634 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.425 -7.466 8.644 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.412 -6.324 8.763 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.303 -4.717 8.009 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.285 -6.179 6.994 1.00 3.40 H new ATOM 1060 N LEU A 67 3.150 -3.160 5.754 1.00 4.17 N ATOM 1061 CA LEU A 67 2.419 -1.937 5.725 1.00 3.85 C ATOM 1062 C LEU A 67 0.991 -2.282 6.134 1.00 3.80 C ATOM 1063 O LEU A 67 0.531 -3.420 5.918 1.00 5.54 O ATOM 1064 CB LEU A 67 2.378 -1.384 4.227 1.00 7.18 C ATOM 1065 CG LEU A 67 3.518 -1.802 3.291 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.255 -1.294 1.831 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.920 -1.339 3.744 1.00 11.66 C ATOM 0 H LEU A 67 2.862 -3.800 5.014 1.00 4.17 H new ATOM 0 HA LEU A 67 2.872 -1.193 6.380 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.438 -1.702 3.776 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.359 -0.295 4.270 1.00 7.18 H new ATOM 0 HG LEU A 67 3.522 -2.891 3.324 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.077 -1.602 1.185 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.323 -1.720 1.460 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.182 -0.206 1.832 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.665 -1.678 3.024 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.942 -0.251 3.804 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.144 -1.761 4.724 1.00 11.66 H new ATOM 1079 N HIS A 68 0.225 -1.344 6.745 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.190 -1.472 7.137 1.00 4.17 C ATOM 1081 C HIS A 68 -2.172 -0.867 6.190 1.00 5.32 C ATOM 1082 O HIS A 68 -1.928 0.248 5.673 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.458 -0.823 8.539 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.716 -1.246 9.274 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.905 -2.539 9.720 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.888 -0.560 9.578 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.151 -2.545 10.267 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.745 -1.398 10.242 1.00 16.30 N ATOM 0 H HIS A 68 0.605 -0.429 6.988 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.346 -2.551 7.145 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.604 -1.041 9.180 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.491 0.259 8.409 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -4.090 0.471 9.329 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -4.604 -3.432 10.686 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -5.658 -1.166 10.633 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.261 -1.562 5.850 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.130 -1.068 4.831 1.00 3.97 C ATOM 1098 C LEU A 69 -5.496 -0.796 5.487 1.00 5.07 C ATOM 1099 O LEU A 69 -6.057 -1.604 6.155 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.362 -2.168 3.786 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.530 -2.058 2.714 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.259 -0.975 1.697 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.860 -3.351 2.031 1.00 9.96 C ATOM 0 H LEU A 69 -3.541 -2.449 6.268 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.699 -0.179 4.370 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.431 -2.279 3.230 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.520 -3.097 4.333 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.413 -1.785 3.292 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.081 -0.933 0.983 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.169 -0.014 2.204 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.331 -1.195 1.169 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.666 -3.189 1.316 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.979 -3.721 1.507 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.175 -4.084 2.773 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.082 0.391 5.243 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.414 0.734 5.705 1.00 6.26 C ATOM 1117 C VAL A 70 -8.194 1.193 4.544 1.00 9.22 C ATOM 1118 O VAL A 70 -7.633 1.717 3.543 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.451 1.751 6.831 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.613 1.108 7.995 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.887 3.127 6.344 1.00 8.54 C ATOM 0 H VAL A 70 -5.629 1.136 4.714 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.851 -0.163 6.144 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.462 1.971 7.175 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.594 1.787 8.848 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.069 0.164 8.293 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.594 0.927 7.653 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.921 3.845 7.164 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.856 3.001 6.014 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.491 3.495 5.515 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.515 0.954 4.669 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.398 1.153 3.539 1.00 16.06 C ATOM 1133 C LEU A 71 -11.414 2.262 3.889 1.00 18.09 C ATOM 1134 O LEU A 71 -12.105 2.121 4.902 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.145 -0.150 3.060 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.220 -1.338 2.652 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.987 -2.514 2.115 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.256 -1.003 1.515 1.00 19.57 C ATOM 0 H LEU A 71 -9.970 0.632 5.523 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.773 1.448 2.696 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.806 -0.484 3.859 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.777 0.105 2.209 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.697 -1.558 3.583 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.292 -3.310 1.847 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.678 -2.876 2.876 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.548 -2.210 1.231 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.646 -1.877 1.286 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.823 -0.715 0.630 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.610 -0.178 1.816 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.555 3.280 3.036 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.390 4.491 3.176 1.00 25.83 C ATOM 1152 C ARG A 72 -13.885 4.160 3.057 1.00 27.74 C ATOM 1153 O ARG A 72 -14.236 3.288 2.288 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.021 5.469 2.021 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.613 6.849 2.129 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.994 7.797 1.100 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.633 9.074 1.450 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.510 10.211 0.700 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.749 10.318 -0.349 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.330 11.236 1.027 1.00 35.02 N ATOM 0 H ARG A 72 -11.047 3.285 2.152 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.206 4.928 4.157 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.936 5.560 1.978 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.342 5.027 1.077 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.691 6.798 1.978 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.450 7.240 3.133 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.909 7.845 1.188 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.218 7.494 0.077 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.199 9.114 2.298 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.194 9.521 -0.660 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.707 11.199 -0.861 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.992 11.134 1.796 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.286 12.111 0.505 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.719 4.831 3.856 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.181 4.636 3.905 1.00 30.76 C ATOM 1176 C LEU A 73 -16.841 5.670 2.908 1.00 32.18 C ATOM 1177 O LEU A 73 -16.402 6.799 2.713 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.728 4.866 5.362 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.434 3.722 6.450 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.964 3.525 6.830 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.264 3.996 7.762 1.00 29.11 C ATOM 0 H LEU A 73 -14.393 5.546 4.507 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.428 3.614 3.618 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.310 5.801 5.735 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.808 5.002 5.299 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.740 2.798 5.959 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.883 2.729 7.570 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.392 3.255 5.942 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.569 4.451 7.248 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.057 3.214 8.493 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.981 4.964 8.176 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -18.328 3.999 7.525 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.970 5.261 2.347 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.682 5.961 1.287 1.00 35.33 C ATOM 1195 C ARG A 74 -19.113 7.411 1.687 1.00 36.22 C ATOM 1196 O ARG A 74 -19.190 8.354 0.909 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.990 5.235 0.897 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.845 3.858 0.217 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.036 3.828 -1.133 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.741 2.350 -1.497 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.332 2.015 -2.740 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.763 2.838 -3.544 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.251 0.760 -3.113 1.00 41.93 N ATOM 0 H ARG A 74 -18.434 4.398 2.629 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.969 5.988 0.463 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.589 5.107 1.798 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.554 5.886 0.229 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.363 3.179 0.920 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.843 3.464 0.026 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.608 4.307 -1.928 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.105 4.386 -1.029 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.857 1.623 -0.791 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.599 3.802 -3.255 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.475 2.528 -4.472 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.499 0.017 -2.460 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.940 0.527 -4.056 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.367 7.571 3.002 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.780 8.886 3.597 1.00 36.07 C ATOM 1219 C GLY A 75 -18.623 9.749 4.143 1.00 36.16 C ATOM 1220 O GLY A 75 -18.809 10.925 4.496 1.00 36.26 O ATOM 0 H GLY A 75 -19.297 6.814 3.682 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.314 9.459 2.839 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.484 8.696 4.407 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.369 9.273 4.112 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.239 10.002 4.667 1.00 36.19 C ATOM 1226 C GLY A 76 -15.120 10.167 3.619 1.00 36.20 C ATOM 1227 O GLY A 76 -14.019 9.635 3.833 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.378 10.831 2.568 1.00 0.00 O ATOM 0 H GLY A 76 -17.119 8.374 3.701 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.568 10.983 5.011 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.852 9.472 5.537 1.00 36.19 H new TER 1232 GLY A 76