USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 170:sc= -0.388 (180deg=-0.558) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.814 (180deg=0.698) USER MOD Single : A 2 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.45 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0369) USER MOD Single : A 31 GLN : amide:sc= -0.741 X(o=-0.74,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= 0.158 K(o=0.16,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.48 K(o=1.5,f=-8.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.62 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 1.3 (180deg=0.623) USER MOD Single : A 65 SER OG : rot 115:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.164 4.381 -3.729 1.00 9.67 N ATOM 2 CA MET A 1 -12.777 5.058 -2.471 1.00 10.38 C ATOM 3 C MET A 1 -11.381 5.580 -2.476 1.00 9.62 C ATOM 4 O MET A 1 -10.671 5.304 -3.441 1.00 9.62 O ATOM 5 CB MET A 1 -12.936 3.995 -1.372 1.00 13.77 C ATOM 6 CG MET A 1 -11.889 2.882 -1.286 1.00 16.29 C ATOM 7 SD MET A 1 -12.087 1.863 0.206 1.00 17.17 S ATOM 8 CE MET A 1 -10.641 0.768 0.125 1.00 16.11 C ATOM 0 H1 MET A 1 -14.059 3.871 -3.587 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.284 5.089 -4.481 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.421 3.707 -4.003 1.00 9.67 H new ATOM 0 HA MET A 1 -13.405 5.936 -2.319 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.955 4.510 -0.411 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.911 3.526 -1.501 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.963 2.247 -2.169 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.892 3.323 -1.293 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.546 0.220 1.063 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.765 0.062 -0.696 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.743 1.363 -0.040 1.00 16.11 H new ATOM 20 N GLN A 2 -10.970 6.287 -1.408 1.00 9.27 N ATOM 21 CA GLN A 2 -9.608 6.636 -1.147 1.00 9.07 C ATOM 22 C GLN A 2 -9.041 6.083 0.115 1.00 8.72 C ATOM 23 O GLN A 2 -9.640 6.035 1.188 1.00 8.22 O ATOM 24 CB GLN A 2 -9.502 8.163 -0.994 1.00 14.46 C ATOM 25 CG GLN A 2 -9.990 8.986 -2.188 1.00 17.01 C ATOM 26 CD GLN A 2 -9.957 10.477 -1.885 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.960 11.162 -2.110 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.098 11.029 -1.393 1.00 19.49 N ATOM 0 H GLN A 2 -11.615 6.630 -0.696 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.054 6.220 -1.989 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.071 8.462 -0.114 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.460 8.419 -0.802 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.366 8.776 -3.056 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.006 8.688 -2.446 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.913 10.442 -1.214 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.139 12.030 -1.203 1.00 19.49 H new ATOM 37 N ILE A 3 -7.744 5.740 0.016 1.00 5.87 N ATOM 38 CA ILE A 3 -6.927 5.281 1.096 1.00 5.07 C ATOM 39 C ILE A 3 -5.699 6.125 1.131 1.00 4.01 C ATOM 40 O ILE A 3 -5.410 6.740 0.106 1.00 4.61 O ATOM 41 CB ILE A 3 -6.529 3.839 0.996 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.746 3.634 -0.312 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.758 2.926 1.149 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.116 2.243 -0.363 1.00 10.83 C ATOM 0 H ILE A 3 -7.238 5.786 -0.868 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.518 5.366 2.008 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.865 3.558 1.814 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.413 3.766 -1.164 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.968 4.393 -0.396 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.449 1.884 1.074 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.220 3.098 2.121 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.477 3.149 0.361 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.569 2.126 -1.298 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.431 2.123 0.476 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.899 1.487 -0.303 1.00 10.83 H new ATOM 56 N PHE A 4 -4.972 6.092 2.262 1.00 4.55 N ATOM 57 CA PHE A 4 -3.878 6.972 2.532 1.00 4.68 C ATOM 58 C PHE A 4 -2.631 6.208 2.815 1.00 5.30 C ATOM 59 O PHE A 4 -2.742 5.312 3.651 1.00 5.58 O ATOM 60 CB PHE A 4 -4.149 7.928 3.707 1.00 4.83 C ATOM 61 CG PHE A 4 -5.387 8.752 3.617 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.667 9.390 2.431 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.197 8.916 4.716 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.775 10.199 2.338 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.278 9.760 4.619 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.536 10.447 3.456 1.00 8.90 C ATOM 0 H PHE A 4 -5.153 5.429 3.016 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.755 7.571 1.629 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.196 7.339 4.623 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.297 8.601 3.804 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.020 9.256 1.577 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.988 8.392 5.637 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.047 10.638 1.390 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.934 9.885 5.468 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.331 11.177 3.421 1.00 8.90 H new ATOM 76 N VAL A 5 -1.427 6.410 2.250 1.00 4.44 N ATOM 77 CA VAL A 5 -0.364 5.463 2.392 1.00 3.87 C ATOM 78 C VAL A 5 0.782 6.317 2.814 1.00 4.93 C ATOM 79 O VAL A 5 1.292 7.130 2.044 1.00 6.84 O ATOM 80 CB VAL A 5 -0.094 4.696 1.132 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.093 3.736 1.321 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.296 3.843 0.695 1.00 9.13 C ATOM 0 H VAL A 5 -1.189 7.231 1.694 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.589 4.673 3.109 1.00 3.87 H new ATOM 0 HB VAL A 5 0.120 5.445 0.370 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.271 3.190 0.394 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.984 4.306 1.583 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.866 3.030 2.120 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.048 3.308 -0.222 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.538 3.126 1.480 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.155 4.489 0.517 1.00 9.13 H new ATOM 92 N LYS A 6 1.255 6.166 4.064 1.00 6.04 N ATOM 93 CA LYS A 6 2.301 6.941 4.655 1.00 6.12 C ATOM 94 C LYS A 6 3.672 6.484 4.292 1.00 6.57 C ATOM 95 O LYS A 6 3.865 5.295 4.043 1.00 5.76 O ATOM 96 CB LYS A 6 2.202 6.784 6.182 1.00 7.45 C ATOM 97 CG LYS A 6 3.065 7.691 7.060 1.00 11.12 C ATOM 98 CD LYS A 6 2.762 7.325 8.514 1.00 14.54 C ATOM 99 CE LYS A 6 3.440 8.120 9.631 1.00 18.84 C ATOM 100 NZ LYS A 6 4.906 7.977 9.482 1.00 20.55 N ATOM 0 H LYS A 6 0.884 5.460 4.700 1.00 6.04 H new ATOM 0 HA LYS A 6 2.168 7.961 4.295 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.161 6.939 6.466 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.449 5.751 6.427 1.00 7.45 H new ATOM 0 HG2 LYS A 6 4.123 7.549 6.839 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.838 8.740 6.871 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.685 7.408 8.657 1.00 14.54 H new ATOM 0 HD3 LYS A 6 3.022 6.275 8.651 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.154 9.170 9.577 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.120 7.753 10.606 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 5.385 8.512 10.234 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 5.166 6.972 9.552 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 5.198 8.346 8.555 1.00 20.55 H new ATOM 114 N THR A 7 4.680 7.355 4.107 1.00 7.41 N ATOM 115 CA THR A 7 6.028 7.061 3.729 1.00 7.48 C ATOM 116 C THR A 7 6.959 7.033 4.892 1.00 8.75 C ATOM 117 O THR A 7 6.667 6.591 6.002 1.00 8.58 O ATOM 118 CB THR A 7 6.534 7.827 2.543 1.00 9.61 C ATOM 119 OG1 THR A 7 6.533 9.235 2.726 1.00 11.78 O ATOM 120 CG2 THR A 7 5.605 7.492 1.364 1.00 9.17 C ATOM 0 H THR A 7 4.536 8.357 4.234 1.00 7.41 H new ATOM 0 HA THR A 7 5.999 6.037 3.356 1.00 7.48 H new ATOM 0 HB THR A 7 7.571 7.537 2.374 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.875 9.670 1.917 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.936 8.029 0.476 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.634 6.420 1.171 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.585 7.789 1.608 1.00 9.17 H new ATOM 128 N LEU A 8 8.183 7.560 4.709 1.00 9.84 N ATOM 129 CA LEU A 8 9.074 7.679 5.821 1.00 14.15 C ATOM 130 C LEU A 8 9.389 9.135 5.770 1.00 17.37 C ATOM 131 O LEU A 8 9.358 9.804 6.802 1.00 17.01 O ATOM 132 CB LEU A 8 10.333 6.831 5.574 1.00 16.63 C ATOM 133 CG LEU A 8 10.167 5.378 6.050 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.075 4.437 4.837 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.365 4.974 6.925 1.00 19.31 C ATOM 0 H LEU A 8 8.549 7.895 3.818 1.00 9.84 H new ATOM 0 HA LEU A 8 8.674 7.342 6.777 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.568 6.837 4.510 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.180 7.284 6.090 1.00 16.63 H new ATOM 0 HG LEU A 8 9.251 5.300 6.636 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.958 3.410 5.182 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.217 4.715 4.225 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.985 4.519 4.243 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.241 3.944 7.259 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.284 5.059 6.345 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.420 5.632 7.792 1.00 19.31 H new ATOM 147 N THR A 9 9.677 9.694 4.581 1.00 18.33 N ATOM 148 CA THR A 9 10.198 11.011 4.386 1.00 19.24 C ATOM 149 C THR A 9 9.127 12.027 4.177 1.00 19.48 C ATOM 150 O THR A 9 8.827 12.866 5.025 1.00 23.14 O ATOM 151 CB THR A 9 11.182 11.106 3.258 1.00 18.97 C ATOM 152 OG1 THR A 9 12.151 10.069 3.314 1.00 20.24 O ATOM 153 CG2 THR A 9 11.926 12.450 3.172 1.00 19.70 C ATOM 0 H THR A 9 9.537 9.195 3.702 1.00 18.33 H new ATOM 0 HA THR A 9 10.723 11.228 5.316 1.00 19.24 H new ATOM 0 HB THR A 9 10.564 11.009 2.366 1.00 18.97 H new ATOM 0 HG1 THR A 9 12.774 10.162 2.563 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.616 12.430 2.329 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.206 13.256 3.033 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.484 12.617 4.094 1.00 19.70 H new ATOM 161 N GLY A 10 8.531 12.000 2.971 1.00 19.43 N ATOM 162 CA GLY A 10 7.828 13.087 2.364 1.00 18.74 C ATOM 163 C GLY A 10 6.425 13.076 2.866 1.00 17.62 C ATOM 164 O GLY A 10 6.176 12.897 4.057 1.00 19.74 O ATOM 0 H GLY A 10 8.541 11.166 2.384 1.00 19.43 H new ATOM 0 HA2 GLY A 10 8.311 14.034 2.607 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.844 12.990 1.278 1.00 18.74 H new ATOM 168 N LYS A 11 5.432 13.287 1.984 1.00 13.56 N ATOM 169 CA LYS A 11 4.059 13.456 2.345 1.00 11.91 C ATOM 170 C LYS A 11 3.316 12.164 2.341 1.00 10.18 C ATOM 171 O LYS A 11 3.692 11.143 1.768 1.00 9.10 O ATOM 172 CB LYS A 11 3.462 14.608 1.520 1.00 13.43 C ATOM 173 CG LYS A 11 3.251 14.295 0.037 1.00 16.69 C ATOM 174 CD LYS A 11 1.967 14.917 -0.515 1.00 17.92 C ATOM 175 CE LYS A 11 1.654 14.691 -1.996 1.00 20.81 C ATOM 176 NZ LYS A 11 2.454 15.570 -2.878 1.00 21.93 N ATOM 0 H LYS A 11 5.592 13.342 0.978 1.00 13.56 H new ATOM 0 HA LYS A 11 3.962 13.766 3.386 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.504 14.890 1.957 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.118 15.474 1.604 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.104 14.663 -0.534 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.217 13.214 -0.102 1.00 16.69 H new ATOM 0 HD2 LYS A 11 1.130 14.534 0.068 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.012 15.992 -0.341 1.00 17.92 H new ATOM 0 HE2 LYS A 11 1.848 13.649 -2.252 1.00 20.81 H new ATOM 0 HE3 LYS A 11 0.593 14.870 -2.173 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 2.208 15.382 -3.871 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.250 16.565 -2.654 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.466 15.382 -2.730 1.00 21.93 H new ATOM 190 N THR A 12 2.160 12.082 3.023 1.00 9.63 N ATOM 191 CA THR A 12 1.301 10.942 2.941 1.00 9.85 C ATOM 192 C THR A 12 0.540 10.978 1.661 1.00 11.66 C ATOM 193 O THR A 12 -0.358 11.791 1.448 1.00 12.33 O ATOM 194 CB THR A 12 0.345 10.846 4.093 1.00 10.85 C ATOM 195 OG1 THR A 12 0.963 10.603 5.348 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.613 9.647 3.998 1.00 9.63 C ATOM 0 H THR A 12 1.816 12.818 3.640 1.00 9.63 H new ATOM 0 HA THR A 12 1.939 10.059 2.981 1.00 9.85 H new ATOM 0 HB THR A 12 -0.147 11.817 4.034 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.277 10.555 6.047 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.275 9.641 4.864 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.207 9.727 3.088 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.037 8.722 3.975 1.00 9.63 H new ATOM 204 N ILE A 13 0.744 9.990 0.771 1.00 10.42 N ATOM 205 CA ILE A 13 0.066 9.907 -0.485 1.00 11.84 C ATOM 206 C ILE A 13 -1.315 9.362 -0.349 1.00 10.55 C ATOM 207 O ILE A 13 -1.702 8.642 0.570 1.00 11.92 O ATOM 208 CB ILE A 13 0.837 9.163 -1.535 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.877 7.644 -1.293 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.252 9.761 -1.604 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.491 6.792 -2.402 1.00 16.46 C ATOM 0 H ILE A 13 1.401 9.226 0.930 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.013 10.938 -0.831 1.00 11.84 H new ATOM 0 HB ILE A 13 0.328 9.284 -2.491 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.433 7.460 -0.374 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.143 7.299 -1.123 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.833 9.235 -2.362 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.188 10.818 -1.864 1.00 17.08 H new ATOM 0 HG23 ILE A 13 2.740 9.655 -0.635 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.461 5.742 -2.113 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.925 6.931 -3.323 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.526 7.094 -2.563 1.00 16.46 H new ATOM 223 N THR A 14 -2.160 9.618 -1.363 1.00 9.39 N ATOM 224 CA THR A 14 -3.548 9.285 -1.447 1.00 9.63 C ATOM 225 C THR A 14 -3.743 8.497 -2.697 1.00 11.20 C ATOM 226 O THR A 14 -3.250 8.902 -3.748 1.00 11.63 O ATOM 227 CB THR A 14 -4.473 10.462 -1.537 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.256 11.365 -0.463 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.948 10.028 -1.495 1.00 11.66 C ATOM 0 H THR A 14 -1.840 10.103 -2.201 1.00 9.39 H new ATOM 0 HA THR A 14 -3.792 8.750 -0.529 1.00 9.63 H new ATOM 0 HB THR A 14 -4.259 10.948 -2.489 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.870 12.125 -0.545 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.588 10.908 -1.562 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.156 9.363 -2.333 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.147 9.505 -0.559 1.00 11.66 H new ATOM 237 N LEU A 15 -4.469 7.368 -2.605 1.00 8.29 N ATOM 238 CA LEU A 15 -4.744 6.585 -3.770 1.00 9.03 C ATOM 239 C LEU A 15 -6.219 6.461 -3.942 1.00 8.59 C ATOM 240 O LEU A 15 -6.964 6.334 -2.972 1.00 7.79 O ATOM 241 CB LEU A 15 -3.985 5.248 -3.745 1.00 11.08 C ATOM 242 CG LEU A 15 -2.473 5.427 -3.525 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.852 4.089 -3.087 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.806 6.009 -4.782 1.00 15.88 C ATOM 0 H LEU A 15 -4.861 7.001 -1.738 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.366 7.089 -4.659 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.391 4.619 -2.953 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.151 4.723 -4.686 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.301 6.146 -2.724 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.781 4.218 -2.932 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.316 3.759 -2.157 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.019 3.340 -3.861 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.737 6.128 -4.605 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.962 5.333 -5.623 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.246 6.980 -5.011 1.00 15.88 H new ATOM 256 N GLU A 16 -6.749 6.488 -5.177 1.00 11.04 N ATOM 257 CA GLU A 16 -8.117 6.122 -5.382 1.00 11.50 C ATOM 258 C GLU A 16 -8.180 4.719 -5.880 1.00 10.13 C ATOM 259 O GLU A 16 -7.755 4.409 -6.992 1.00 9.83 O ATOM 260 CB GLU A 16 -8.751 7.037 -6.444 1.00 17.22 C ATOM 261 CG GLU A 16 -9.169 8.422 -5.948 1.00 23.33 C ATOM 262 CD GLU A 16 -9.757 9.329 -7.019 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.930 9.833 -7.825 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.985 9.606 -7.082 1.00 28.90 O ATOM 0 H GLU A 16 -6.242 6.758 -6.020 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.654 6.219 -4.439 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.042 7.161 -7.263 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.628 6.536 -6.855 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.902 8.302 -5.150 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.300 8.914 -5.511 1.00 23.33 H new ATOM 271 N VAL A 17 -8.680 3.774 -5.064 1.00 8.99 N ATOM 272 CA VAL A 17 -8.707 2.349 -5.177 1.00 8.85 C ATOM 273 C VAL A 17 -10.087 1.846 -4.926 1.00 8.04 C ATOM 274 O VAL A 17 -10.969 2.563 -4.457 1.00 8.99 O ATOM 275 CB VAL A 17 -7.734 1.761 -4.198 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.317 2.250 -4.544 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.176 2.051 -2.754 1.00 10.54 C ATOM 0 H VAL A 17 -9.132 4.060 -4.196 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.417 2.050 -6.184 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.716 0.674 -4.273 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.603 1.827 -3.837 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.059 1.932 -5.554 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.283 3.338 -4.486 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.457 1.616 -2.059 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.225 3.129 -2.598 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.159 1.614 -2.580 1.00 10.54 H new ATOM 287 N GLU A 18 -10.457 0.597 -5.258 1.00 7.29 N ATOM 288 CA GLU A 18 -11.684 -0.075 -4.962 1.00 7.08 C ATOM 289 C GLU A 18 -11.258 -1.108 -3.976 1.00 6.45 C ATOM 290 O GLU A 18 -10.095 -1.499 -4.062 1.00 5.28 O ATOM 291 CB GLU A 18 -12.572 -0.595 -6.104 1.00 10.28 C ATOM 292 CG GLU A 18 -13.061 0.496 -7.059 1.00 12.65 C ATOM 293 CD GLU A 18 -14.087 1.431 -6.435 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.179 0.937 -6.047 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.833 2.665 -6.414 1.00 18.17 O ATOM 0 H GLU A 18 -9.828 -0.004 -5.790 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.412 0.647 -4.591 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.015 -1.339 -6.674 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.436 -1.103 -5.676 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.206 1.081 -7.398 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.497 0.027 -7.941 1.00 12.65 H new ATOM 302 N PRO A 19 -11.982 -1.689 -3.065 1.00 7.24 N ATOM 303 CA PRO A 19 -11.476 -2.728 -2.216 1.00 7.07 C ATOM 304 C PRO A 19 -11.126 -3.992 -2.922 1.00 6.65 C ATOM 305 O PRO A 19 -10.505 -4.841 -2.283 1.00 6.37 O ATOM 306 CB PRO A 19 -12.635 -3.048 -1.275 1.00 7.61 C ATOM 307 CG PRO A 19 -13.168 -1.633 -0.997 1.00 8.16 C ATOM 308 CD PRO A 19 -13.013 -0.942 -2.361 1.00 7.49 C ATOM 0 HA PRO A 19 -10.557 -2.378 -1.745 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.383 -3.689 -1.742 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.305 -3.553 -0.367 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.207 -1.649 -0.666 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.594 -1.129 -0.220 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.952 -0.953 -2.915 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.726 0.103 -2.240 1.00 7.49 H new ATOM 316 N SER A 20 -11.661 -4.209 -4.137 1.00 6.80 N ATOM 317 CA SER A 20 -11.445 -5.346 -4.976 1.00 6.28 C ATOM 318 C SER A 20 -10.132 -5.377 -5.681 1.00 8.45 C ATOM 319 O SER A 20 -9.787 -6.314 -6.399 1.00 7.26 O ATOM 320 CB SER A 20 -12.581 -5.454 -6.007 1.00 8.57 C ATOM 321 OG SER A 20 -12.915 -4.205 -6.593 1.00 11.13 O ATOM 0 H SER A 20 -12.295 -3.534 -4.565 1.00 6.80 H new ATOM 0 HA SER A 20 -11.434 -6.201 -4.300 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.288 -6.151 -6.792 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.465 -5.871 -5.524 1.00 8.57 H new ATOM 0 HG SER A 20 -13.640 -4.331 -7.241 1.00 11.13 H new ATOM 327 N ASP A 21 -9.357 -4.286 -5.542 1.00 7.50 N ATOM 328 CA ASP A 21 -8.009 -4.241 -6.017 1.00 7.70 C ATOM 329 C ASP A 21 -7.108 -4.961 -5.074 1.00 7.08 C ATOM 330 O ASP A 21 -7.310 -4.917 -3.861 1.00 8.11 O ATOM 331 CB ASP A 21 -7.624 -2.752 -6.059 1.00 11.00 C ATOM 332 CG ASP A 21 -8.319 -1.946 -7.147 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.899 -2.488 -8.126 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.267 -0.687 -7.139 1.00 14.36 O ATOM 0 H ASP A 21 -9.670 -3.424 -5.094 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.918 -4.713 -6.995 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.853 -2.304 -5.092 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.546 -2.673 -6.200 1.00 11.00 H new ATOM 339 N THR A 22 -6.114 -5.668 -5.640 1.00 5.37 N ATOM 340 CA THR A 22 -5.182 -6.334 -4.784 1.00 6.01 C ATOM 341 C THR A 22 -4.107 -5.441 -4.267 1.00 8.01 C ATOM 342 O THR A 22 -3.910 -4.285 -4.636 1.00 8.11 O ATOM 343 CB THR A 22 -4.459 -7.486 -5.416 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.849 -7.024 -6.612 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.445 -8.568 -5.890 1.00 9.65 C ATOM 0 H THR A 22 -5.958 -5.777 -6.642 1.00 5.37 H new ATOM 0 HA THR A 22 -5.836 -6.686 -3.986 1.00 6.01 H new ATOM 0 HB THR A 22 -3.759 -7.880 -4.680 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.369 -7.763 -7.041 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.892 -9.390 -6.344 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.014 -8.940 -5.038 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.128 -8.141 -6.624 1.00 9.65 H new ATOM 353 N ILE A 23 -3.337 -5.946 -3.287 1.00 8.32 N ATOM 354 CA ILE A 23 -2.285 -5.206 -2.662 1.00 9.92 C ATOM 355 C ILE A 23 -1.214 -4.987 -3.674 1.00 10.01 C ATOM 356 O ILE A 23 -0.590 -3.928 -3.707 1.00 8.71 O ATOM 357 CB ILE A 23 -1.760 -5.900 -1.440 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.787 -6.057 -0.307 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.433 -5.283 -0.964 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.414 -4.781 0.255 1.00 12.30 C ATOM 0 H ILE A 23 -3.448 -6.891 -2.920 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.669 -4.247 -2.314 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.551 -6.923 -1.752 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.592 -6.697 -0.668 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.304 -6.585 0.515 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.083 -5.812 -0.077 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.312 -5.369 -1.755 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.587 -4.231 -0.723 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.118 -5.039 1.046 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.632 -4.139 0.661 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.940 -4.253 -0.541 1.00 12.30 H new ATOM 372 N GLU A 24 -1.056 -5.895 -4.654 1.00 9.54 N ATOM 373 CA GLU A 24 -0.138 -5.796 -5.745 1.00 11.81 C ATOM 374 C GLU A 24 -0.540 -4.797 -6.775 1.00 11.14 C ATOM 375 O GLU A 24 0.300 -4.150 -7.398 1.00 10.62 O ATOM 376 CB GLU A 24 -0.139 -7.186 -6.404 1.00 19.24 C ATOM 377 CG GLU A 24 1.112 -7.507 -7.223 1.00 27.76 C ATOM 378 CD GLU A 24 1.135 -8.930 -7.762 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.385 -9.759 -7.182 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.854 -9.268 -8.740 1.00 34.80 O ATOM 0 H GLU A 24 -1.606 -6.754 -4.685 1.00 9.54 H new ATOM 0 HA GLU A 24 0.832 -5.474 -5.366 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.251 -7.941 -5.626 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.011 -7.265 -7.053 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.179 -6.809 -8.058 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.994 -7.347 -6.603 1.00 27.76 H new ATOM 387 N ASN A 25 -1.843 -4.617 -7.054 1.00 9.43 N ATOM 388 CA ASN A 25 -2.400 -3.476 -7.712 1.00 10.96 C ATOM 389 C ASN A 25 -2.152 -2.152 -7.075 1.00 9.68 C ATOM 390 O ASN A 25 -1.737 -1.288 -7.845 1.00 9.33 O ATOM 391 CB ASN A 25 -3.914 -3.716 -7.838 1.00 16.78 C ATOM 392 CG ASN A 25 -4.500 -3.045 -9.072 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.342 -2.148 -9.048 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.266 -3.650 -10.267 1.00 24.70 N ATOM 0 H ASN A 25 -2.549 -5.309 -6.805 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.890 -3.398 -8.672 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.108 -4.788 -7.882 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.416 -3.338 -6.947 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.780 -3.355 -11.097 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.576 -4.399 -10.333 1.00 24.70 H new ATOM 401 N VAL A 26 -2.208 -2.022 -5.738 1.00 6.52 N ATOM 402 CA VAL A 26 -1.918 -0.821 -5.018 1.00 5.53 C ATOM 403 C VAL A 26 -0.468 -0.516 -5.178 1.00 4.42 C ATOM 404 O VAL A 26 -0.042 0.608 -5.441 1.00 3.40 O ATOM 405 CB VAL A 26 -2.390 -1.010 -3.607 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.941 0.095 -2.636 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.924 -1.115 -3.642 1.00 8.12 C ATOM 0 H VAL A 26 -2.469 -2.796 -5.127 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.443 0.056 -5.398 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.932 -1.919 -3.218 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.325 -0.119 -1.639 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.852 0.132 -2.605 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.327 1.056 -2.975 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.302 -1.253 -2.629 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.342 -0.201 -4.064 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.217 -1.965 -4.258 1.00 8.12 H new ATOM 417 N LYS A 27 0.453 -1.496 -5.182 1.00 2.64 N ATOM 418 CA LYS A 27 1.841 -1.340 -5.489 1.00 4.14 C ATOM 419 C LYS A 27 2.118 -0.759 -6.833 1.00 5.58 C ATOM 420 O LYS A 27 3.104 -0.024 -6.850 1.00 4.11 O ATOM 421 CB LYS A 27 2.617 -2.665 -5.421 1.00 3.97 C ATOM 422 CG LYS A 27 2.931 -3.199 -4.021 1.00 7.45 C ATOM 423 CD LYS A 27 3.952 -4.338 -4.049 1.00 9.02 C ATOM 424 CE LYS A 27 4.250 -4.749 -2.606 1.00 12.90 C ATOM 425 NZ LYS A 27 5.261 -5.830 -2.604 1.00 15.47 N ATOM 0 H LYS A 27 0.211 -2.461 -4.956 1.00 2.64 H new ATOM 0 HA LYS A 27 2.176 -0.644 -4.720 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.045 -3.424 -5.956 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.558 -2.538 -5.957 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.313 -2.387 -3.402 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.011 -3.550 -3.554 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.561 -5.185 -4.612 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.866 -4.017 -4.549 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.616 -3.892 -2.040 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.337 -5.088 -2.116 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.628 -5.961 -1.640 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.824 -6.715 -2.931 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.043 -5.575 -3.240 1.00 15.47 H new ATOM 439 N ALA A 28 1.283 -1.120 -7.824 1.00 6.61 N ATOM 440 CA ALA A 28 1.367 -0.587 -9.148 1.00 7.74 C ATOM 441 C ALA A 28 1.059 0.871 -9.149 1.00 9.17 C ATOM 442 O ALA A 28 1.888 1.626 -9.655 1.00 11.45 O ATOM 443 CB ALA A 28 0.513 -1.384 -10.149 1.00 7.68 C ATOM 0 H ALA A 28 0.531 -1.799 -7.702 1.00 6.61 H new ATOM 0 HA ALA A 28 2.395 -0.697 -9.492 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.608 -0.942 -11.141 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.856 -2.418 -10.178 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.532 -1.357 -9.839 1.00 7.68 H new ATOM 449 N LYS A 29 0.061 1.364 -8.394 1.00 8.96 N ATOM 450 CA LYS A 29 -0.141 2.758 -8.147 1.00 7.90 C ATOM 451 C LYS A 29 0.980 3.440 -7.440 1.00 6.92 C ATOM 452 O LYS A 29 1.357 4.563 -7.771 1.00 6.87 O ATOM 453 CB LYS A 29 -1.562 2.964 -7.596 1.00 10.28 C ATOM 454 CG LYS A 29 -2.714 2.574 -8.525 1.00 14.94 C ATOM 455 CD LYS A 29 -4.093 2.982 -8.000 1.00 19.69 C ATOM 456 CE LYS A 29 -5.230 2.939 -9.023 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.075 3.947 -10.096 1.00 24.98 N ATOM 0 H LYS A 29 -0.631 0.769 -7.938 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.097 3.305 -9.089 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.657 2.391 -6.674 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.677 4.015 -7.331 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.555 3.035 -9.500 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.697 1.495 -8.677 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.353 2.328 -7.167 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.025 3.994 -7.601 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.275 1.945 -9.468 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.179 3.102 -8.512 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.928 3.954 -10.692 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.941 4.887 -9.672 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.247 3.709 -10.679 1.00 24.98 H new ATOM 471 N ILE A 30 1.601 2.852 -6.402 1.00 4.57 N ATOM 472 CA ILE A 30 2.730 3.353 -5.681 1.00 5.58 C ATOM 473 C ILE A 30 3.987 3.577 -6.448 1.00 7.26 C ATOM 474 O ILE A 30 4.688 4.580 -6.319 1.00 9.46 O ATOM 475 CB ILE A 30 2.937 2.462 -4.492 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.740 2.515 -3.527 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.173 2.994 -3.749 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.771 1.276 -2.634 1.00 2.00 C ATOM 0 H ILE A 30 1.286 1.952 -6.038 1.00 4.57 H new ATOM 0 HA ILE A 30 2.482 4.374 -5.390 1.00 5.58 H new ATOM 0 HB ILE A 30 3.055 1.432 -4.828 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.785 3.419 -2.920 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.806 2.553 -4.087 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.365 2.375 -2.872 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.038 2.962 -4.412 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.994 4.022 -3.435 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.927 1.303 -1.945 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.707 0.380 -3.252 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.702 1.260 -2.067 1.00 2.00 H new ATOM 490 N GLN A 31 4.249 2.752 -7.478 1.00 7.06 N ATOM 491 CA GLN A 31 5.256 2.960 -8.472 1.00 8.67 C ATOM 492 C GLN A 31 5.130 4.219 -9.258 1.00 10.90 C ATOM 493 O GLN A 31 6.099 4.915 -9.559 1.00 9.63 O ATOM 494 CB GLN A 31 5.341 1.693 -9.340 1.00 9.12 C ATOM 495 CG GLN A 31 6.546 1.700 -10.284 1.00 10.76 C ATOM 496 CD GLN A 31 6.688 0.365 -11.001 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.717 -0.365 -11.195 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.951 0.005 -11.357 1.00 14.76 N ATOM 0 H GLN A 31 3.726 1.889 -7.625 1.00 7.06 H new ATOM 0 HA GLN A 31 6.204 3.120 -7.959 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.398 0.818 -8.693 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.427 1.598 -9.926 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.434 2.499 -11.016 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.454 1.911 -9.719 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.731 0.638 -11.180 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.118 -0.898 -11.801 1.00 14.76 H new ATOM 507 N ASP A 32 3.946 4.547 -9.804 1.00 10.93 N ATOM 508 CA ASP A 32 3.522 5.827 -10.281 1.00 14.01 C ATOM 509 C ASP A 32 3.665 6.928 -9.287 1.00 14.04 C ATOM 510 O ASP A 32 4.364 7.895 -9.585 1.00 13.39 O ATOM 511 CB ASP A 32 2.104 5.558 -10.811 1.00 18.01 C ATOM 512 CG ASP A 32 1.359 6.785 -11.316 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.603 7.192 -12.483 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.451 7.289 -10.602 1.00 26.29 O ATOM 0 H ASP A 32 3.215 3.845 -9.922 1.00 10.93 H new ATOM 0 HA ASP A 32 4.160 6.225 -11.070 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.168 4.832 -11.621 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.517 5.098 -10.016 1.00 18.01 H new ATOM 519 N LYS A 33 2.945 6.842 -8.154 1.00 14.22 N ATOM 520 CA LYS A 33 2.872 7.946 -7.248 1.00 14.00 C ATOM 521 C LYS A 33 4.142 8.349 -6.581 1.00 12.37 C ATOM 522 O LYS A 33 4.420 9.539 -6.442 1.00 12.17 O ATOM 523 CB LYS A 33 1.830 7.558 -6.185 1.00 18.62 C ATOM 524 CG LYS A 33 1.261 8.798 -5.492 1.00 24.00 C ATOM 525 CD LYS A 33 0.280 9.504 -6.430 1.00 27.61 C ATOM 526 CE LYS A 33 -0.685 10.501 -5.786 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.253 11.382 -6.831 1.00 30.06 N ATOM 0 H LYS A 33 2.418 6.017 -7.867 1.00 14.22 H new ATOM 0 HA LYS A 33 2.609 8.825 -7.837 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.022 6.996 -6.652 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.288 6.902 -5.445 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.756 8.512 -4.569 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.069 9.476 -5.216 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.855 10.030 -7.192 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.308 8.743 -6.943 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.484 9.969 -5.270 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.163 11.097 -5.037 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.909 12.060 -6.394 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.485 11.899 -7.304 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.765 10.806 -7.530 1.00 30.06 H new ATOM 541 N GLU A 34 4.974 7.400 -6.117 1.00 10.11 N ATOM 542 CA GLU A 34 6.252 7.764 -5.588 1.00 10.07 C ATOM 543 C GLU A 34 7.384 7.417 -6.493 1.00 9.32 C ATOM 544 O GLU A 34 8.245 8.276 -6.671 1.00 11.61 O ATOM 545 CB GLU A 34 6.450 6.925 -4.314 1.00 14.77 C ATOM 546 CG GLU A 34 5.564 7.403 -3.162 1.00 18.75 C ATOM 547 CD GLU A 34 6.028 8.689 -2.494 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.118 8.654 -1.863 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.323 9.721 -2.647 1.00 25.19 O ATOM 0 H GLU A 34 4.769 6.401 -6.107 1.00 10.11 H new ATOM 0 HA GLU A 34 6.257 8.843 -5.432 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.228 5.880 -4.531 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.495 6.972 -4.009 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.551 7.550 -3.537 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.514 6.616 -2.409 1.00 18.75 H new ATOM 556 N GLY A 35 7.470 6.170 -6.992 1.00 7.22 N ATOM 557 CA GLY A 35 8.563 5.786 -7.830 1.00 6.29 C ATOM 558 C GLY A 35 9.323 4.572 -7.418 1.00 6.93 C ATOM 559 O GLY A 35 10.303 4.119 -8.007 1.00 7.41 O ATOM 0 H GLY A 35 6.787 5.433 -6.817 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.180 5.623 -8.837 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.260 6.622 -7.886 1.00 6.29 H new ATOM 563 N ILE A 36 8.819 3.915 -6.358 1.00 5.86 N ATOM 564 CA ILE A 36 9.429 2.759 -5.777 1.00 6.07 C ATOM 565 C ILE A 36 9.037 1.545 -6.547 1.00 6.36 C ATOM 566 O ILE A 36 7.861 1.376 -6.865 1.00 6.18 O ATOM 567 CB ILE A 36 9.102 2.714 -4.314 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.516 4.046 -3.666 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.846 1.548 -3.642 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.140 4.123 -2.187 1.00 9.49 C ATOM 0 H ILE A 36 7.958 4.198 -5.890 1.00 5.86 H new ATOM 0 HA ILE A 36 10.516 2.803 -5.840 1.00 6.07 H new ATOM 0 HB ILE A 36 8.030 2.562 -4.185 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.593 4.177 -3.770 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.041 4.869 -4.201 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.602 1.524 -2.580 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.544 0.609 -4.105 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.921 1.683 -3.764 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.456 5.084 -1.781 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.060 4.021 -2.080 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.636 3.319 -1.643 1.00 9.49 H new ATOM 582 N PRO A 37 9.832 0.598 -6.950 1.00 8.65 N ATOM 583 CA PRO A 37 9.428 -0.620 -7.589 1.00 9.18 C ATOM 584 C PRO A 37 8.592 -1.576 -6.809 1.00 9.85 C ATOM 585 O PRO A 37 8.784 -1.582 -5.594 1.00 8.51 O ATOM 586 CB PRO A 37 10.738 -1.273 -8.025 1.00 11.42 C ATOM 587 CG PRO A 37 11.652 -0.066 -8.290 1.00 9.27 C ATOM 588 CD PRO A 37 11.258 0.836 -7.110 1.00 8.33 C ATOM 0 HA PRO A 37 8.744 -0.361 -8.397 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.143 -1.924 -7.250 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.607 -1.884 -8.918 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.709 -0.333 -8.275 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.455 0.401 -9.255 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.810 0.577 -6.207 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.467 1.885 -7.321 1.00 8.33 H new ATOM 596 N PRO A 38 7.670 -2.333 -7.326 1.00 8.71 N ATOM 597 CA PRO A 38 6.798 -3.126 -6.508 1.00 9.08 C ATOM 598 C PRO A 38 7.440 -4.168 -5.658 1.00 9.28 C ATOM 599 O PRO A 38 6.836 -4.538 -4.652 1.00 6.50 O ATOM 600 CB PRO A 38 5.901 -3.817 -7.532 1.00 10.31 C ATOM 601 CG PRO A 38 5.750 -2.842 -8.710 1.00 10.81 C ATOM 602 CD PRO A 38 7.113 -2.134 -8.655 1.00 12.00 C ATOM 0 HA PRO A 38 6.309 -2.477 -5.782 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.342 -4.758 -7.861 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.930 -4.055 -7.099 1.00 10.31 H new ATOM 0 HG2 PRO A 38 5.587 -3.356 -9.657 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.917 -2.152 -8.574 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.783 -2.538 -9.413 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.999 -1.071 -8.865 1.00 12.00 H new ATOM 610 N ASP A 39 8.670 -4.587 -6.006 1.00 11.20 N ATOM 611 CA ASP A 39 9.416 -5.579 -5.297 1.00 14.96 C ATOM 612 C ASP A 39 10.134 -5.029 -4.113 1.00 13.99 C ATOM 613 O ASP A 39 10.338 -5.697 -3.101 1.00 13.75 O ATOM 614 CB ASP A 39 10.304 -6.234 -6.369 1.00 24.16 C ATOM 615 CG ASP A 39 11.360 -5.381 -7.057 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.077 -4.721 -8.093 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.501 -5.415 -6.524 1.00 34.22 O ATOM 0 H ASP A 39 9.166 -4.218 -6.817 1.00 11.20 H new ATOM 0 HA ASP A 39 8.782 -6.331 -4.827 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.811 -7.081 -5.907 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.649 -6.637 -7.141 1.00 24.16 H new ATOM 622 N GLN A 40 10.296 -3.694 -4.104 1.00 11.60 N ATOM 623 CA GLN A 40 11.038 -3.052 -3.063 1.00 10.76 C ATOM 624 C GLN A 40 10.183 -2.440 -2.008 1.00 8.01 C ATOM 625 O GLN A 40 10.743 -2.000 -1.005 1.00 8.96 O ATOM 626 CB GLN A 40 11.983 -1.982 -3.636 1.00 11.14 C ATOM 627 CG GLN A 40 12.922 -2.560 -4.697 1.00 14.85 C ATOM 628 CD GLN A 40 13.865 -1.418 -5.046 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.126 -0.415 -4.383 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.622 -1.598 -6.161 1.00 18.16 N ATOM 0 H GLN A 40 9.917 -3.063 -4.811 1.00 11.60 H new ATOM 0 HA GLN A 40 11.616 -3.846 -2.590 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.395 -1.174 -4.072 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.572 -1.547 -2.828 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.469 -3.421 -4.314 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.369 -2.898 -5.573 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.463 -2.408 -6.760 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.349 -0.923 -6.398 1.00 18.16 H new ATOM 639 N GLN A 41 8.848 -2.462 -2.169 1.00 6.52 N ATOM 640 CA GLN A 41 7.807 -2.031 -1.289 1.00 3.87 C ATOM 641 C GLN A 41 7.366 -3.046 -0.290 1.00 4.79 C ATOM 642 O GLN A 41 7.354 -4.242 -0.574 1.00 6.34 O ATOM 643 CB GLN A 41 6.563 -1.740 -2.145 1.00 4.20 C ATOM 644 CG GLN A 41 6.824 -0.508 -3.015 1.00 3.20 C ATOM 645 CD GLN A 41 5.606 -0.219 -3.880 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.490 -0.119 -3.372 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.704 -0.052 -5.226 1.00 7.13 N ATOM 0 H GLN A 41 8.452 -2.832 -3.033 1.00 6.52 H new ATOM 0 HA GLN A 41 8.213 -1.176 -0.748 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.330 -2.600 -2.773 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.698 -1.570 -1.504 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.046 0.353 -2.385 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.697 -0.675 -3.645 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.612 -0.127 -5.684 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.869 0.149 -5.777 1.00 7.13 H new ATOM 656 N ARG A 42 7.188 -2.657 0.985 1.00 5.73 N ATOM 657 CA ARG A 42 6.694 -3.539 1.997 1.00 6.97 C ATOM 658 C ARG A 42 5.570 -2.854 2.694 1.00 7.15 C ATOM 659 O ARG A 42 5.798 -1.779 3.248 1.00 7.33 O ATOM 660 CB ARG A 42 7.814 -4.050 2.919 1.00 13.23 C ATOM 661 CG ARG A 42 7.432 -4.895 4.136 1.00 21.27 C ATOM 662 CD ARG A 42 8.606 -5.699 4.699 1.00 26.14 C ATOM 663 NE ARG A 42 8.166 -6.639 5.768 1.00 32.26 N ATOM 664 CZ ARG A 42 8.669 -6.630 7.036 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.550 -5.692 7.492 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.293 -7.665 7.842 1.00 36.39 N ATOM 0 H ARG A 42 7.390 -1.715 1.319 1.00 5.73 H new ATOM 0 HA ARG A 42 6.302 -4.455 1.554 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.501 -4.638 2.311 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.368 -3.183 3.279 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.039 -4.242 4.915 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.630 -5.579 3.859 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.083 -6.259 3.895 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.356 -5.017 5.100 1.00 26.14 H new ATOM 0 HE ARG A 42 7.449 -7.327 5.539 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.866 -4.946 6.873 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.892 -5.737 8.452 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.669 -8.389 7.485 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.636 -7.715 8.801 1.00 36.39 H new ATOM 680 N LEU A 43 4.353 -3.424 2.637 1.00 4.65 N ATOM 681 CA LEU A 43 3.195 -2.823 3.223 1.00 3.51 C ATOM 682 C LEU A 43 2.890 -3.490 4.520 1.00 5.56 C ATOM 683 O LEU A 43 2.884 -4.711 4.669 1.00 4.19 O ATOM 684 CB LEU A 43 1.971 -2.859 2.292 1.00 3.74 C ATOM 685 CG LEU A 43 2.134 -2.281 0.876 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.792 -1.792 0.304 1.00 6.41 C ATOM 687 CD2 LEU A 43 3.079 -1.071 0.796 1.00 9.55 C ATOM 0 H LEU A 43 4.170 -4.316 2.177 1.00 4.65 H new ATOM 0 HA LEU A 43 3.420 -1.770 3.394 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.653 -3.897 2.196 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.160 -2.321 2.783 1.00 3.74 H new ATOM 0 HG LEU A 43 2.549 -3.114 0.308 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.948 -1.391 -0.697 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.092 -2.626 0.256 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.384 -1.013 0.948 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.139 -0.724 -0.235 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.697 -0.269 1.427 1.00 9.55 H new ATOM 0 HD23 LEU A 43 4.072 -1.361 1.139 1.00 9.55 H new ATOM 699 N ILE A 44 2.554 -2.639 5.505 1.00 4.58 N ATOM 700 CA ILE A 44 2.337 -2.939 6.886 1.00 5.55 C ATOM 701 C ILE A 44 1.121 -2.119 7.148 1.00 5.46 C ATOM 702 O ILE A 44 1.062 -0.984 6.679 1.00 6.04 O ATOM 703 CB ILE A 44 3.531 -2.623 7.737 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.889 -3.249 7.377 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.185 -3.058 9.171 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.063 -4.752 7.167 1.00 13.90 C ATOM 0 H ILE A 44 2.422 -1.646 5.314 1.00 4.58 H new ATOM 0 HA ILE A 44 2.194 -3.992 7.128 1.00 5.55 H new ATOM 0 HB ILE A 44 3.695 -1.557 7.582 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.224 -2.764 6.460 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.586 -2.960 8.164 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.028 -2.847 9.829 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.309 -2.509 9.516 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.973 -4.127 9.186 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.103 -4.967 6.922 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.788 -5.281 8.080 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.422 -5.082 6.350 1.00 13.90 H new ATOM 718 N PHE A 45 0.100 -2.738 7.767 1.00 6.75 N ATOM 719 CA PHE A 45 -1.055 -2.054 8.262 1.00 4.70 C ATOM 720 C PHE A 45 -1.158 -2.272 9.733 1.00 6.34 C ATOM 721 O PHE A 45 -1.290 -3.455 10.043 1.00 5.45 O ATOM 722 CB PHE A 45 -2.320 -2.647 7.621 1.00 5.51 C ATOM 723 CG PHE A 45 -3.563 -1.855 7.839 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.641 -0.500 7.621 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.700 -2.495 8.274 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.830 0.183 7.719 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.922 -1.865 8.293 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.973 -0.518 8.023 1.00 6.84 C ATOM 0 H PHE A 45 0.077 -3.745 7.928 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.966 -0.993 8.027 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.154 -2.747 6.548 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.473 -3.652 8.015 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.743 0.043 7.366 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.631 -3.519 8.609 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.866 1.251 7.560 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.823 -2.417 8.515 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.923 -0.004 8.050 1.00 6.84 H new ATOM 738 N ALA A 46 -1.160 -1.264 10.623 1.00 6.53 N ATOM 739 CA ALA A 46 -1.147 -1.495 12.034 1.00 7.15 C ATOM 740 C ALA A 46 0.119 -2.207 12.362 1.00 9.00 C ATOM 741 O ALA A 46 1.230 -1.682 12.312 1.00 11.15 O ATOM 742 CB ALA A 46 -2.427 -2.112 12.622 1.00 8.99 C ATOM 0 H ALA A 46 -1.171 -0.278 10.361 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.159 -0.534 12.548 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.307 -2.243 13.697 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.272 -1.450 12.429 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.611 -3.080 12.157 1.00 8.99 H new ATOM 748 N GLY A 47 0.014 -3.453 12.859 1.00 9.35 N ATOM 749 CA GLY A 47 1.136 -4.339 12.898 1.00 11.68 C ATOM 750 C GLY A 47 0.942 -5.564 12.073 1.00 11.14 C ATOM 751 O GLY A 47 1.341 -6.661 12.461 1.00 13.93 O ATOM 0 H GLY A 47 -0.849 -3.847 13.234 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.022 -3.809 12.548 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.326 -4.630 13.931 1.00 11.68 H new ATOM 755 N LYS A 48 0.240 -5.478 10.929 1.00 10.47 N ATOM 756 CA LYS A 48 -0.014 -6.583 10.057 1.00 8.82 C ATOM 757 C LYS A 48 0.706 -6.353 8.773 1.00 7.68 C ATOM 758 O LYS A 48 0.454 -5.422 8.010 1.00 6.47 O ATOM 759 CB LYS A 48 -1.515 -6.849 9.860 1.00 9.74 C ATOM 760 CG LYS A 48 -2.271 -7.133 11.159 1.00 14.14 C ATOM 761 CD LYS A 48 -3.744 -6.731 11.067 1.00 16.32 C ATOM 762 CE LYS A 48 -4.146 -5.330 11.534 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.571 -5.038 11.264 1.00 23.92 N ATOM 0 H LYS A 48 -0.167 -4.603 10.598 1.00 10.47 H new ATOM 0 HA LYS A 48 0.368 -7.495 10.517 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.966 -5.986 9.370 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.638 -7.697 9.187 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.199 -8.195 11.395 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.798 -6.592 11.979 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.052 -6.836 10.027 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -4.322 -7.452 11.645 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.954 -5.236 12.603 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.524 -4.589 11.032 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.798 -4.079 11.597 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.751 -5.101 10.242 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -6.167 -5.728 11.764 1.00 23.92 H new ATOM 777 N GLN A 49 1.565 -7.305 8.367 1.00 8.89 N ATOM 778 CA GLN A 49 2.231 -7.371 7.103 1.00 7.18 C ATOM 779 C GLN A 49 1.319 -7.850 6.026 1.00 8.23 C ATOM 780 O GLN A 49 0.826 -8.977 6.045 1.00 9.70 O ATOM 781 CB GLN A 49 3.453 -8.303 7.160 1.00 11.67 C ATOM 782 CG GLN A 49 4.210 -8.346 5.831 1.00 15.82 C ATOM 783 CD GLN A 49 5.379 -9.313 5.952 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.495 -8.931 6.301 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.149 -10.627 5.689 1.00 20.67 N ATOM 0 H GLN A 49 1.812 -8.089 8.971 1.00 8.89 H new ATOM 0 HA GLN A 49 2.557 -6.356 6.875 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.126 -7.968 7.949 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.128 -9.309 7.424 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.543 -8.662 5.029 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.571 -7.351 5.572 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.220 -10.934 5.400 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.905 -11.305 5.781 1.00 20.67 H new ATOM 794 N LEU A 50 1.072 -7.048 4.975 1.00 6.51 N ATOM 795 CA LEU A 50 0.125 -7.403 3.964 1.00 7.41 C ATOM 796 C LEU A 50 0.677 -8.165 2.808 1.00 8.27 C ATOM 797 O LEU A 50 1.738 -7.858 2.268 1.00 8.34 O ATOM 798 CB LEU A 50 -0.428 -6.104 3.354 1.00 7.13 C ATOM 799 CG LEU A 50 -1.022 -5.012 4.259 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.481 -3.822 3.399 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.135 -5.630 5.122 1.00 8.14 C ATOM 0 H LEU A 50 1.531 -6.149 4.825 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.606 -8.035 4.469 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.380 -5.646 2.784 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.201 -6.387 2.640 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.276 -4.615 4.947 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.902 -3.049 4.042 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.628 -3.416 2.854 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.239 -4.156 2.690 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.563 -4.863 5.768 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.913 -6.036 4.476 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.719 -6.429 5.735 1.00 8.14 H new ATOM 813 N GLU A 51 -0.027 -9.220 2.361 1.00 9.43 N ATOM 814 CA GLU A 51 0.445 -9.970 1.240 1.00 11.90 C ATOM 815 C GLU A 51 -0.164 -9.569 -0.060 1.00 11.49 C ATOM 816 O GLU A 51 -1.381 -9.412 -0.145 1.00 9.88 O ATOM 817 CB GLU A 51 0.386 -11.490 1.471 1.00 16.56 C ATOM 818 CG GLU A 51 0.550 -12.339 0.209 1.00 26.06 C ATOM 819 CD GLU A 51 0.539 -13.848 0.404 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.323 -14.429 1.202 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.359 -14.476 -0.218 1.00 33.44 O ATOM 0 H GLU A 51 -0.904 -9.548 2.765 1.00 9.43 H new ATOM 0 HA GLU A 51 1.499 -9.707 1.155 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.166 -11.766 2.181 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.569 -11.736 1.935 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.249 -12.078 -0.485 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.490 -12.063 -0.269 1.00 26.06 H new ATOM 828 N ASP A 52 0.685 -9.303 -1.068 1.00 12.71 N ATOM 829 CA ASP A 52 0.442 -8.857 -2.405 1.00 16.56 C ATOM 830 C ASP A 52 -0.828 -9.299 -3.046 1.00 15.83 C ATOM 831 O ASP A 52 -1.613 -8.526 -3.595 1.00 17.21 O ATOM 832 CB ASP A 52 1.657 -9.180 -3.290 1.00 21.05 C ATOM 833 CG ASP A 52 2.802 -8.264 -2.883 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.833 -7.716 -1.748 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.731 -8.096 -3.718 1.00 25.82 O ATOM 0 H ASP A 52 1.687 -9.420 -0.917 1.00 12.71 H new ATOM 0 HA ASP A 52 0.300 -7.780 -2.311 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.946 -10.224 -3.172 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.410 -9.035 -4.342 1.00 21.05 H new ATOM 840 N GLY A 53 -1.096 -10.617 -3.056 1.00 15.00 N ATOM 841 CA GLY A 53 -2.084 -11.262 -3.863 1.00 11.77 C ATOM 842 C GLY A 53 -3.397 -11.280 -3.158 1.00 11.10 C ATOM 843 O GLY A 53 -4.378 -11.789 -3.698 1.00 11.25 O ATOM 0 H GLY A 53 -0.589 -11.273 -2.462 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.182 -10.741 -4.815 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.770 -12.281 -4.088 1.00 11.77 H new ATOM 847 N ARG A 54 -3.471 -10.714 -1.940 1.00 8.53 N ATOM 848 CA ARG A 54 -4.741 -10.529 -1.309 1.00 9.05 C ATOM 849 C ARG A 54 -5.336 -9.199 -1.620 1.00 8.96 C ATOM 850 O ARG A 54 -4.702 -8.319 -2.201 1.00 11.60 O ATOM 851 CB ARG A 54 -4.656 -10.741 0.212 1.00 7.97 C ATOM 852 CG ARG A 54 -4.305 -12.172 0.623 1.00 9.62 C ATOM 853 CD ARG A 54 -3.804 -12.378 2.054 1.00 12.20 C ATOM 854 NE ARG A 54 -4.891 -11.983 2.993 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.894 -12.076 4.355 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.866 -12.613 5.075 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.990 -11.584 5.004 1.00 25.50 N ATOM 0 H ARG A 54 -2.668 -10.390 -1.400 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.403 -11.290 -1.722 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.908 -10.063 0.622 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.612 -10.469 0.660 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.190 -12.793 0.481 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.542 -12.544 -0.061 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.526 -13.420 2.212 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.911 -11.779 2.233 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.734 -11.597 2.567 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.040 -12.971 4.596 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.924 -12.656 6.092 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.756 -11.172 4.471 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.043 -11.629 6.022 1.00 25.50 H new ATOM 871 N THR A 55 -6.618 -8.937 -1.312 1.00 9.05 N ATOM 872 CA THR A 55 -7.159 -7.675 -1.710 1.00 9.03 C ATOM 873 C THR A 55 -7.359 -6.850 -0.486 1.00 8.15 C ATOM 874 O THR A 55 -6.988 -7.207 0.631 1.00 5.91 O ATOM 875 CB THR A 55 -8.498 -7.769 -2.380 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.470 -8.368 -1.537 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.302 -8.680 -3.604 1.00 11.71 C ATOM 0 H THR A 55 -7.252 -9.561 -0.814 1.00 9.05 H new ATOM 0 HA THR A 55 -6.453 -7.248 -2.422 1.00 9.03 H new ATOM 0 HB THR A 55 -8.850 -6.770 -2.637 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.329 -8.410 -2.007 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.249 -8.786 -4.134 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.560 -8.240 -4.270 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.958 -9.661 -3.276 1.00 11.71 H new ATOM 885 N LEU A 56 -7.842 -5.605 -0.646 1.00 6.91 N ATOM 886 CA LEU A 56 -8.096 -4.697 0.429 1.00 8.29 C ATOM 887 C LEU A 56 -9.336 -5.074 1.165 1.00 8.05 C ATOM 888 O LEU A 56 -9.466 -5.077 2.388 1.00 10.17 O ATOM 889 CB LEU A 56 -8.391 -3.253 -0.011 1.00 6.60 C ATOM 890 CG LEU A 56 -7.145 -2.448 -0.417 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.509 -1.157 -1.169 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.136 -2.135 0.701 1.00 9.85 C ATOM 0 H LEU A 56 -8.065 -5.215 -1.562 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.180 -4.752 1.018 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.084 -3.276 -0.852 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.895 -2.733 0.804 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.626 -3.138 -1.083 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.598 -0.622 -1.435 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.061 -1.407 -2.075 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.127 -0.526 -0.530 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.303 -1.564 0.290 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.626 -1.552 1.481 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.763 -3.067 1.126 1.00 9.85 H new ATOM 904 N SER A 57 -10.339 -5.619 0.455 1.00 8.92 N ATOM 905 CA SER A 57 -11.492 -6.251 1.017 1.00 9.00 C ATOM 906 C SER A 57 -11.061 -7.415 1.842 1.00 9.44 C ATOM 907 O SER A 57 -11.757 -7.671 2.823 1.00 10.91 O ATOM 908 CB SER A 57 -12.473 -6.845 -0.008 1.00 10.32 C ATOM 909 OG SER A 57 -13.820 -6.740 0.429 1.00 13.59 O ATOM 0 H SER A 57 -10.346 -5.619 -0.565 1.00 8.92 H new ATOM 0 HA SER A 57 -11.993 -5.457 1.571 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.359 -6.329 -0.961 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.228 -7.893 -0.181 1.00 10.32 H new ATOM 0 HG SER A 57 -14.414 -7.126 -0.248 1.00 13.59 H new ATOM 915 N ASP A 58 -10.018 -8.193 1.502 1.00 9.11 N ATOM 916 CA ASP A 58 -9.656 -9.353 2.255 1.00 7.91 C ATOM 917 C ASP A 58 -9.060 -9.019 3.579 1.00 9.12 C ATOM 918 O ASP A 58 -9.363 -9.706 4.553 1.00 8.61 O ATOM 919 CB ASP A 58 -8.732 -10.187 1.351 1.00 8.41 C ATOM 920 CG ASP A 58 -8.542 -11.583 1.928 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.667 -11.761 2.817 1.00 10.05 O ATOM 922 OD2 ASP A 58 -9.282 -12.505 1.493 1.00 11.70 O ATOM 0 H ASP A 58 -9.419 -8.015 0.696 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.538 -9.935 2.521 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.158 -10.255 0.350 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.766 -9.693 1.253 1.00 8.41 H new ATOM 927 N TYR A 59 -8.268 -7.933 3.630 1.00 7.97 N ATOM 928 CA TYR A 59 -7.550 -7.437 4.763 1.00 8.45 C ATOM 929 C TYR A 59 -8.452 -6.605 5.607 1.00 10.98 C ATOM 930 O TYR A 59 -7.975 -6.051 6.596 1.00 12.95 O ATOM 931 CB TYR A 59 -6.228 -6.794 4.309 1.00 7.94 C ATOM 932 CG TYR A 59 -5.055 -7.710 4.243 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.435 -8.143 5.391 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.369 -8.016 3.090 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.343 -8.975 5.466 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.270 -8.841 3.054 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.800 -9.326 4.252 1.00 6.76 C ATOM 938 OH TYR A 59 -1.795 -10.317 4.260 1.00 7.63 O ATOM 0 H TYR A 59 -8.118 -7.352 2.805 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.233 -8.241 5.427 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.379 -6.354 3.323 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.990 -5.977 4.990 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.847 -7.795 6.327 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.713 -7.584 2.162 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.942 -9.326 6.406 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.793 -9.099 2.120 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.947 -10.931 5.008 1.00 7.63 H new ATOM 948 N ASN A 60 -9.743 -6.512 5.241 1.00 12.38 N ATOM 949 CA ASN A 60 -10.654 -5.584 5.837 1.00 13.94 C ATOM 950 C ASN A 60 -10.165 -4.178 5.911 1.00 14.16 C ATOM 951 O ASN A 60 -10.107 -3.664 7.026 1.00 14.26 O ATOM 952 CB ASN A 60 -11.192 -6.103 7.181 1.00 19.23 C ATOM 953 CG ASN A 60 -12.250 -7.135 6.817 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.355 -6.819 6.380 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.852 -8.435 6.864 1.00 24.09 N ATOM 0 H ASN A 60 -10.163 -7.094 4.516 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.494 -5.525 5.145 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.396 -6.549 7.778 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.619 -5.294 7.773 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.475 -9.171 6.532 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.931 -8.673 7.231 1.00 24.09 H new ATOM 962 N ILE A 61 -9.707 -3.665 4.755 1.00 11.08 N ATOM 963 CA ILE A 61 -9.213 -2.323 4.732 1.00 11.78 C ATOM 964 C ILE A 61 -10.178 -1.355 4.138 1.00 13.74 C ATOM 965 O ILE A 61 -10.601 -1.475 2.989 1.00 14.60 O ATOM 966 CB ILE A 61 -7.907 -2.210 4.002 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.916 -3.086 4.787 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.422 -0.764 3.806 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.435 -3.019 4.417 1.00 11.42 C ATOM 0 H ILE A 61 -9.678 -4.160 3.863 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.065 -2.065 5.781 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.013 -2.559 2.975 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.007 -2.826 5.842 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.237 -4.123 4.685 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.473 -0.768 3.271 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.161 -0.207 3.230 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.288 -0.290 4.778 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.869 -3.693 5.060 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.306 -3.316 3.376 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.072 -2.000 4.551 1.00 11.42 H new ATOM 981 N GLN A 62 -10.660 -0.444 5.002 1.00 13.97 N ATOM 982 CA GLN A 62 -11.683 0.458 4.574 1.00 15.52 C ATOM 983 C GLN A 62 -11.068 1.755 4.173 1.00 13.94 C ATOM 984 O GLN A 62 -9.868 1.991 4.039 1.00 12.15 O ATOM 985 CB GLN A 62 -12.773 0.647 5.642 1.00 19.53 C ATOM 986 CG GLN A 62 -13.200 -0.737 6.136 1.00 26.38 C ATOM 987 CD GLN A 62 -14.222 -0.501 7.239 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.901 -0.411 8.423 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.483 -0.320 6.764 1.00 32.71 N ATOM 0 H GLN A 62 -10.353 -0.332 5.968 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.184 0.025 3.708 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.395 1.247 6.470 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.626 1.182 5.225 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.632 -1.323 5.325 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.344 -1.297 6.513 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.670 -0.412 5.766 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.242 -0.092 7.406 1.00 32.71 H new ATOM 998 N LYS A 63 -11.932 2.731 3.842 1.00 11.73 N ATOM 999 CA LYS A 63 -11.420 3.971 3.346 1.00 11.97 C ATOM 1000 C LYS A 63 -10.787 4.803 4.408 1.00 10.41 C ATOM 1001 O LYS A 63 -11.129 4.658 5.580 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.508 4.832 2.683 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.664 5.217 3.608 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.809 6.006 2.971 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.972 6.387 3.890 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.565 7.242 5.028 1.00 25.97 N ATOM 0 H LYS A 63 -12.948 2.669 3.913 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.671 3.677 2.611 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.049 5.742 2.298 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.910 4.291 1.826 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.076 4.304 4.039 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.261 5.805 4.433 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.397 6.921 2.545 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.207 5.420 2.142 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.731 6.908 3.307 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.434 5.478 4.275 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.310 7.941 5.221 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.418 6.651 5.871 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.680 7.735 4.792 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.844 5.689 4.042 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.253 6.704 4.858 1.00 10.94 C ATOM 1022 C GLU A 64 -8.264 6.080 5.781 1.00 9.74 C ATOM 1023 O GLU A 64 -7.989 6.704 6.805 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.189 7.646 5.635 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.082 8.490 4.723 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.270 9.152 5.406 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.151 9.875 6.431 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.377 8.898 4.861 1.00 32.61 O ATOM 0 H GLU A 64 -9.464 5.694 3.095 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.787 7.376 4.137 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.816 7.056 6.303 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.591 8.308 6.261 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.471 9.266 4.261 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.454 7.856 3.918 1.00 24.16 H new ATOM 1035 N SER A 65 -7.919 4.815 5.482 1.00 6.85 N ATOM 1036 CA SER A 65 -7.097 4.049 6.368 1.00 6.90 C ATOM 1037 C SER A 65 -5.661 4.297 6.061 1.00 4.72 C ATOM 1038 O SER A 65 -5.308 4.434 4.890 1.00 3.91 O ATOM 1039 CB SER A 65 -7.289 2.535 6.172 1.00 7.28 C ATOM 1040 OG SER A 65 -8.635 2.104 6.313 1.00 10.56 O ATOM 0 H SER A 65 -8.206 4.325 4.634 1.00 6.85 H new ATOM 0 HA SER A 65 -7.378 4.348 7.378 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.931 2.258 5.180 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.670 2.003 6.894 1.00 7.28 H new ATOM 0 HG SER A 65 -8.959 1.758 5.455 1.00 10.56 H new ATOM 1046 N THR A 66 -4.778 4.379 7.072 1.00 4.48 N ATOM 1047 CA THR A 66 -3.370 4.534 6.871 1.00 3.80 C ATOM 1048 C THR A 66 -2.675 3.238 6.628 1.00 4.60 C ATOM 1049 O THR A 66 -2.504 2.385 7.498 1.00 5.33 O ATOM 1050 CB THR A 66 -2.878 5.143 8.150 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.606 6.279 8.592 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.407 5.540 7.939 1.00 3.40 C ATOM 0 H THR A 66 -5.049 4.337 8.054 1.00 4.48 H new ATOM 0 HA THR A 66 -3.168 5.141 5.989 1.00 3.80 H new ATOM 0 HB THR A 66 -3.011 4.393 8.930 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.220 6.609 9.430 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.016 5.988 8.853 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.823 4.654 7.691 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.338 6.260 7.124 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.117 3.106 5.412 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.124 2.120 5.120 1.00 3.85 C ATOM 1062 C LEU A 67 0.240 2.630 5.434 1.00 3.80 C ATOM 1063 O LEU A 67 0.516 3.828 5.460 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.189 1.560 3.689 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.530 0.951 3.246 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.483 0.345 1.833 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.920 -0.268 4.098 1.00 8.12 C ATOM 0 H LEU A 67 -2.360 3.696 4.616 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.350 1.276 5.771 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.935 2.363 2.997 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.418 0.796 3.587 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.219 1.791 3.327 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.460 -0.068 1.581 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.220 1.120 1.113 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.736 -0.448 1.802 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.873 -0.665 3.750 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.152 -1.036 4.007 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.012 0.032 5.142 1.00 8.12 H new ATOM 1079 N HIS A 68 1.188 1.776 5.861 1.00 2.94 N ATOM 1080 CA HIS A 68 2.559 2.139 6.046 1.00 4.17 C ATOM 1081 C HIS A 68 3.381 1.573 4.940 1.00 5.32 C ATOM 1082 O HIS A 68 3.274 0.382 4.654 1.00 7.70 O ATOM 1083 CB HIS A 68 3.009 1.632 7.427 1.00 5.57 C ATOM 1084 CG HIS A 68 2.166 2.101 8.576 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.258 1.470 9.799 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.317 3.156 8.702 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.301 2.073 10.554 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.741 3.108 9.956 1.00 16.30 N ATOM 0 H HIS A 68 0.993 0.800 6.085 1.00 2.94 H new ATOM 0 HA HIS A 68 2.687 3.221 6.017 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.009 0.542 7.416 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.038 1.949 7.597 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.126 3.905 7.948 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.027 1.739 11.544 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.035 3.737 10.338 1.00 16.30 H new ATOM 1096 N LEU A 69 4.239 2.389 4.302 1.00 5.29 N ATOM 1097 CA LEU A 69 5.066 1.927 3.231 1.00 3.97 C ATOM 1098 C LEU A 69 6.479 1.961 3.702 1.00 5.07 C ATOM 1099 O LEU A 69 7.116 2.945 4.076 1.00 4.34 O ATOM 1100 CB LEU A 69 4.996 2.759 1.939 1.00 6.08 C ATOM 1101 CG LEU A 69 6.030 2.316 0.891 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.836 0.853 0.457 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.040 3.200 -0.368 1.00 6.87 C ATOM 0 H LEU A 69 4.360 3.376 4.530 1.00 5.29 H new ATOM 0 HA LEU A 69 4.702 0.931 2.978 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.996 2.678 1.513 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.156 3.810 2.179 1.00 6.08 H new ATOM 0 HG LEU A 69 6.989 2.423 1.398 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.591 0.590 -0.284 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.935 0.200 1.324 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.844 0.731 0.023 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.792 2.831 -1.065 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.059 3.169 -0.842 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.276 4.227 -0.090 1.00 6.87 H new ATOM 1115 N VAL A 70 7.094 0.766 3.742 1.00 4.29 N ATOM 1116 CA VAL A 70 8.349 0.504 4.375 1.00 6.26 C ATOM 1117 C VAL A 70 9.154 -0.010 3.230 1.00 9.22 C ATOM 1118 O VAL A 70 8.695 -0.565 2.233 1.00 9.36 O ATOM 1119 CB VAL A 70 8.245 -0.513 5.472 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.548 -1.115 6.025 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.397 0.090 6.604 1.00 8.54 C ATOM 0 H VAL A 70 6.692 -0.065 3.308 1.00 4.29 H new ATOM 0 HA VAL A 70 8.772 1.377 4.873 1.00 6.26 H new ATOM 0 HB VAL A 70 7.778 -1.381 5.006 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.312 -1.833 6.811 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.085 -1.619 5.222 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.171 -0.320 6.435 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.307 -0.632 7.415 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.877 0.995 6.976 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.405 0.335 6.224 1.00 8.54 H new ATOM 1131 N LEU A 71 10.484 0.180 3.283 1.00 12.71 N ATOM 1132 CA LEU A 71 11.423 -0.076 2.235 1.00 16.06 C ATOM 1133 C LEU A 71 12.160 -1.338 2.527 1.00 18.09 C ATOM 1134 O LEU A 71 12.352 -1.633 3.706 1.00 19.26 O ATOM 1135 CB LEU A 71 12.383 1.069 1.870 1.00 17.10 C ATOM 1136 CG LEU A 71 11.876 2.168 0.922 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.864 1.623 -0.516 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.479 2.633 1.367 1.00 17.51 C ATOM 0 H LEU A 71 10.936 0.540 4.123 1.00 12.71 H new ATOM 0 HA LEU A 71 10.820 -0.176 1.333 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.697 1.548 2.797 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.273 0.627 1.422 1.00 17.10 H new ATOM 0 HG LEU A 71 12.538 3.034 0.955 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.505 2.396 -1.195 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.874 1.329 -0.802 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.204 0.757 -0.571 1.00 19.57 H new ATOM 0 HD21 LEU A 71 10.123 3.412 0.693 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.790 1.789 1.343 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.533 3.028 2.381 1.00 17.51 H new