USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 394 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -7:sc= -6.99! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -12.1! C(o=-12!,f=-15!) USER MOD Single : A 23 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.64 K(o=0.64,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.065) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.776 11.782 0.802 1.00 0.00 N ATOM 2 CA ASP A 1 -7.879 11.836 1.991 1.00 0.00 C ATOM 3 C ASP A 1 -6.707 10.871 1.791 1.00 0.00 C ATOM 4 O ASP A 1 -5.583 11.281 1.582 1.00 0.00 O ATOM 5 CB ASP A 1 -8.661 11.433 3.244 1.00 0.00 C ATOM 6 CG ASP A 1 -9.565 12.586 3.684 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.281 13.713 3.312 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.526 12.325 4.389 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.572 12.437 0.938 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.243 12.056 -0.048 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.140 10.815 0.685 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.500 12.851 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.261 10.546 3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.971 11.173 4.047 1.00 0.00 H new ATOM 15 N SER A 2 -6.963 9.593 1.852 1.00 0.00 N ATOM 16 CA SER A 2 -5.867 8.603 1.666 1.00 0.00 C ATOM 17 C SER A 2 -6.320 7.522 0.685 1.00 0.00 C ATOM 18 O SER A 2 -7.481 7.170 0.628 1.00 0.00 O ATOM 19 CB SER A 2 -5.532 7.954 3.008 1.00 0.00 C ATOM 20 OG SER A 2 -6.455 6.905 3.266 1.00 0.00 O ATOM 0 H SER A 2 -7.885 9.192 2.023 1.00 0.00 H new ATOM 0 HA SER A 2 -4.985 9.109 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.515 7.563 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.576 8.696 3.805 1.00 0.00 H new ATOM 0 HG SER A 2 -6.242 6.486 4.126 1.00 0.00 H new ATOM 26 N ILE A 3 -5.412 6.989 -0.084 1.00 0.00 N ATOM 27 CA ILE A 3 -5.790 5.935 -1.049 1.00 0.00 C ATOM 28 C ILE A 3 -5.621 4.568 -0.390 1.00 0.00 C ATOM 29 O ILE A 3 -4.684 4.334 0.345 1.00 0.00 O ATOM 30 CB ILE A 3 -4.889 6.005 -2.282 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.201 7.264 -3.088 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.130 4.775 -3.161 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.410 7.229 -4.397 1.00 0.00 C ATOM 0 H ILE A 3 -4.424 7.242 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.827 6.083 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.848 6.032 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.269 7.322 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.939 8.153 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.488 4.825 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.901 3.872 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.174 4.751 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.628 8.125 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.343 7.190 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.694 6.347 -4.971 1.00 0.00 H new ATOM 45 N THR A 4 -6.511 3.659 -0.656 1.00 0.00 N ATOM 46 CA THR A 4 -6.393 2.302 -0.061 1.00 0.00 C ATOM 47 C THR A 4 -6.572 1.274 -1.173 1.00 0.00 C ATOM 48 O THR A 4 -7.629 1.171 -1.764 1.00 0.00 O ATOM 49 CB THR A 4 -7.480 2.111 0.996 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.844 3.374 1.533 1.00 0.00 O ATOM 51 CG2 THR A 4 -6.954 1.209 2.112 1.00 0.00 C ATOM 0 H THR A 4 -7.319 3.797 -1.263 1.00 0.00 H new ATOM 0 HA THR A 4 -5.417 2.180 0.409 1.00 0.00 H new ATOM 0 HB THR A 4 -8.354 1.647 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.542 3.253 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.729 1.073 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.678 0.240 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.079 1.670 2.571 1.00 0.00 H new ATOM 59 N TYR A 5 -5.550 0.525 -1.484 1.00 0.00 N ATOM 60 CA TYR A 5 -5.691 -0.471 -2.581 1.00 0.00 C ATOM 61 C TYR A 5 -5.511 -1.885 -2.043 1.00 0.00 C ATOM 62 O TYR A 5 -4.610 -2.168 -1.284 1.00 0.00 O ATOM 63 CB TYR A 5 -4.663 -0.170 -3.676 1.00 0.00 C ATOM 64 CG TYR A 5 -3.382 -0.960 -3.492 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.320 -2.319 -3.837 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.233 -0.309 -3.032 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.121 -3.011 -3.723 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.032 -1.013 -2.907 1.00 0.00 C ATOM 69 CZ TYR A 5 -0.979 -2.364 -3.257 1.00 0.00 C ATOM 70 OH TYR A 5 0.200 -3.059 -3.154 1.00 0.00 O ATOM 0 H TYR A 5 -4.636 0.558 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.692 -0.400 -3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.094 -0.402 -4.650 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.434 0.896 -3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.205 -2.827 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.274 0.739 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.074 -4.055 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.147 -0.514 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 5 0.037 -4.008 -3.337 1.00 0.00 H new ATOM 80 N ARG A 6 -6.371 -2.780 -2.440 1.00 0.00 N ATOM 81 CA ARG A 6 -6.250 -4.176 -1.957 1.00 0.00 C ATOM 82 C ARG A 6 -5.264 -4.923 -2.843 1.00 0.00 C ATOM 83 O ARG A 6 -5.428 -5.027 -4.042 1.00 0.00 O ATOM 84 CB ARG A 6 -7.615 -4.865 -1.995 1.00 0.00 C ATOM 85 CG ARG A 6 -8.022 -5.259 -0.574 1.00 0.00 C ATOM 86 CD ARG A 6 -9.532 -5.086 -0.407 1.00 0.00 C ATOM 87 NE ARG A 6 -9.968 -5.743 0.858 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.475 -5.028 1.826 1.00 0.00 C ATOM 89 NH1 ARG A 6 -9.913 -3.902 2.172 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.545 -5.441 2.450 1.00 0.00 N ATOM 0 H ARG A 6 -7.149 -2.603 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.890 -4.177 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.360 -4.197 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.572 -5.749 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.740 -6.294 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.492 -4.641 0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.788 -4.027 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.056 -5.524 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.870 -6.752 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.076 -3.579 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.310 -3.345 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.984 -6.322 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.942 -4.883 3.206 1.00 0.00 H new ATOM 104 N VAL A 7 -4.235 -5.429 -2.244 1.00 0.00 N ATOM 105 CA VAL A 7 -3.203 -6.164 -3.007 1.00 0.00 C ATOM 106 C VAL A 7 -3.697 -7.578 -3.289 1.00 0.00 C ATOM 107 O VAL A 7 -3.822 -8.382 -2.401 1.00 0.00 O ATOM 108 CB VAL A 7 -1.943 -6.212 -2.149 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.730 -6.552 -3.007 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.731 -4.840 -1.510 1.00 0.00 C ATOM 0 H VAL A 7 -4.062 -5.364 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.995 -5.672 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.061 -6.978 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.162 -6.583 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.877 -7.525 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.606 -5.792 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.832 -4.861 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.618 -4.088 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.592 -4.591 -0.889 1.00 0.00 H new ATOM 120 N ARG A 8 -3.978 -7.882 -4.520 1.00 0.00 N ATOM 121 CA ARG A 8 -4.469 -9.249 -4.860 1.00 0.00 C ATOM 122 C ARG A 8 -3.309 -10.080 -5.401 1.00 0.00 C ATOM 123 O ARG A 8 -2.302 -9.546 -5.810 1.00 0.00 O ATOM 124 CB ARG A 8 -5.565 -9.148 -5.924 1.00 0.00 C ATOM 125 CG ARG A 8 -6.741 -8.342 -5.370 1.00 0.00 C ATOM 126 CD ARG A 8 -7.375 -7.526 -6.497 1.00 0.00 C ATOM 127 NE ARG A 8 -7.837 -8.443 -7.576 1.00 0.00 N ATOM 128 CZ ARG A 8 -9.080 -8.413 -7.973 1.00 0.00 C ATOM 129 NH1 ARG A 8 -9.634 -7.276 -8.297 1.00 0.00 N ATOM 130 NH2 ARG A 8 -9.768 -9.519 -8.045 1.00 0.00 N ATOM 0 H ARG A 8 -3.890 -7.244 -5.311 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.875 -9.725 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.173 -8.669 -6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.898 -10.145 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.480 -9.012 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.399 -7.680 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.215 -6.947 -6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.652 -6.814 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.181 -9.095 -8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.095 -6.412 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.605 -7.252 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.335 -10.407 -7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.739 -9.496 -8.355 1.00 0.00 H new ATOM 144 N LYS A 9 -3.431 -11.383 -5.401 1.00 0.00 N ATOM 145 CA LYS A 9 -2.314 -12.222 -5.921 1.00 0.00 C ATOM 146 C LYS A 9 -1.969 -11.760 -7.334 1.00 0.00 C ATOM 147 O LYS A 9 -2.838 -11.472 -8.133 1.00 0.00 O ATOM 148 CB LYS A 9 -2.728 -13.692 -5.962 1.00 0.00 C ATOM 149 CG LYS A 9 -2.845 -14.234 -4.539 1.00 0.00 C ATOM 150 CD LYS A 9 -3.006 -15.756 -4.582 1.00 0.00 C ATOM 151 CE LYS A 9 -4.409 -16.134 -4.108 1.00 0.00 C ATOM 152 NZ LYS A 9 -5.318 -16.239 -5.284 1.00 0.00 N ATOM 0 H LYS A 9 -4.247 -11.896 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.450 -12.117 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.681 -13.797 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.994 -14.271 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.958 -13.968 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.699 -13.782 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.843 -16.121 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.257 -16.230 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.380 -17.082 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.783 -15.384 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.273 -16.496 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.353 -15.325 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.963 -16.970 -5.933 1.00 0.00 H new ATOM 166 N GLY A 10 -0.709 -11.668 -7.638 1.00 0.00 N ATOM 167 CA GLY A 10 -0.302 -11.200 -8.994 1.00 0.00 C ATOM 168 C GLY A 10 -0.134 -9.674 -8.980 1.00 0.00 C ATOM 169 O GLY A 10 0.568 -9.114 -9.800 1.00 0.00 O ATOM 0 H GLY A 10 0.060 -11.896 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.633 -11.677 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.053 -11.487 -9.730 1.00 0.00 H new ATOM 173 N ASP A 11 -0.771 -8.993 -8.059 1.00 0.00 N ATOM 174 CA ASP A 11 -0.645 -7.509 -7.999 1.00 0.00 C ATOM 175 C ASP A 11 0.762 -7.142 -7.531 1.00 0.00 C ATOM 176 O ASP A 11 1.299 -7.742 -6.622 1.00 0.00 O ATOM 177 CB ASP A 11 -1.666 -6.939 -7.011 1.00 0.00 C ATOM 178 CG ASP A 11 -3.071 -7.001 -7.617 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.328 -7.913 -8.387 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.869 -6.137 -7.298 1.00 0.00 O ATOM 0 H ASP A 11 -1.373 -9.405 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.829 -7.093 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.637 -7.504 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.411 -5.908 -6.766 1.00 0.00 H new ATOM 185 N SER A 12 1.357 -6.160 -8.142 1.00 0.00 N ATOM 186 CA SER A 12 2.724 -5.749 -7.729 1.00 0.00 C ATOM 187 C SER A 12 2.645 -4.369 -7.085 1.00 0.00 C ATOM 188 O SER A 12 1.967 -3.500 -7.571 1.00 0.00 O ATOM 189 CB SER A 12 3.637 -5.695 -8.953 1.00 0.00 C ATOM 190 OG SER A 12 3.045 -6.438 -10.012 1.00 0.00 O ATOM 0 H SER A 12 0.955 -5.623 -8.911 1.00 0.00 H new ATOM 0 HA SER A 12 3.129 -6.468 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.792 -4.661 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.617 -6.105 -8.709 1.00 0.00 H new ATOM 0 HG SER A 12 3.627 -6.405 -10.800 1.00 0.00 H new ATOM 196 N LEU A 13 3.329 -4.169 -5.997 1.00 0.00 N ATOM 197 CA LEU A 13 3.297 -2.844 -5.305 1.00 0.00 C ATOM 198 C LEU A 13 3.576 -1.733 -6.315 1.00 0.00 C ATOM 199 O LEU A 13 2.785 -0.822 -6.472 1.00 0.00 O ATOM 200 CB LEU A 13 4.353 -2.856 -4.199 1.00 0.00 C ATOM 201 CG LEU A 13 3.782 -3.533 -2.939 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.778 -2.611 -2.268 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.062 -4.837 -3.298 1.00 0.00 C ATOM 0 H LEU A 13 3.917 -4.872 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 13 2.316 -2.661 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.242 -3.389 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.661 -1.837 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 13 4.615 -3.747 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.378 -3.095 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.271 -1.681 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.964 -2.394 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.668 -5.296 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.242 -4.623 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.764 -5.521 -3.775 1.00 0.00 H new ATOM 215 N SER A 14 4.671 -1.804 -7.013 1.00 0.00 N ATOM 216 CA SER A 14 4.973 -0.747 -8.015 1.00 0.00 C ATOM 217 C SER A 14 3.866 -0.713 -9.085 1.00 0.00 C ATOM 218 O SER A 14 3.379 0.342 -9.463 1.00 0.00 O ATOM 219 CB SER A 14 6.316 -1.047 -8.682 1.00 0.00 C ATOM 220 OG SER A 14 7.205 -1.594 -7.718 1.00 0.00 O ATOM 0 H SER A 14 5.368 -2.544 -6.935 1.00 0.00 H new ATOM 0 HA SER A 14 5.021 0.220 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.178 -1.747 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.737 -0.135 -9.106 1.00 0.00 H new ATOM 0 HG SER A 14 8.067 -1.790 -8.142 1.00 0.00 H new ATOM 226 N SER A 15 3.471 -1.861 -9.577 1.00 0.00 N ATOM 227 CA SER A 15 2.402 -1.911 -10.622 1.00 0.00 C ATOM 228 C SER A 15 1.138 -1.237 -10.102 1.00 0.00 C ATOM 229 O SER A 15 0.490 -0.479 -10.795 1.00 0.00 O ATOM 230 CB SER A 15 2.093 -3.367 -10.970 1.00 0.00 C ATOM 231 OG SER A 15 0.895 -3.423 -11.734 1.00 0.00 O ATOM 0 H SER A 15 3.844 -2.769 -9.299 1.00 0.00 H new ATOM 0 HA SER A 15 2.750 -1.388 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.918 -3.801 -11.534 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.985 -3.956 -10.059 1.00 0.00 H new ATOM 0 HG SER A 15 0.695 -4.355 -11.960 1.00 0.00 H new ATOM 237 N ILE A 16 0.801 -1.502 -8.880 1.00 0.00 N ATOM 238 CA ILE A 16 -0.403 -0.877 -8.281 1.00 0.00 C ATOM 239 C ILE A 16 -0.208 0.633 -8.308 1.00 0.00 C ATOM 240 O ILE A 16 -1.081 1.365 -8.721 1.00 0.00 O ATOM 241 CB ILE A 16 -0.581 -1.363 -6.839 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.223 -2.757 -6.840 1.00 0.00 C ATOM 243 CG2 ILE A 16 -1.494 -0.394 -6.093 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.318 -3.746 -6.102 1.00 0.00 C ATOM 0 H ILE A 16 1.313 -2.132 -8.262 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.295 -1.151 -8.844 1.00 0.00 H new ATOM 0 HB ILE A 16 0.392 -1.410 -6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.201 -2.717 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.384 -3.092 -7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.625 -0.735 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.046 0.600 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.464 -0.354 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.779 -4.734 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.650 -3.795 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.180 -3.414 -5.073 1.00 0.00 H new ATOM 256 N ALA A 17 0.945 1.103 -7.901 1.00 0.00 N ATOM 257 CA ALA A 17 1.203 2.572 -7.938 1.00 0.00 C ATOM 258 C ALA A 17 0.875 3.098 -9.330 1.00 0.00 C ATOM 259 O ALA A 17 0.237 4.114 -9.484 1.00 0.00 O ATOM 260 CB ALA A 17 2.674 2.851 -7.684 1.00 0.00 C ATOM 0 H ALA A 17 1.714 0.535 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 17 0.590 3.053 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.851 3.926 -7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.954 2.464 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.275 2.364 -8.452 1.00 0.00 H new ATOM 266 N LYS A 18 1.332 2.410 -10.347 1.00 0.00 N ATOM 267 CA LYS A 18 1.066 2.861 -11.746 1.00 0.00 C ATOM 268 C LYS A 18 -0.425 3.160 -11.928 1.00 0.00 C ATOM 269 O LYS A 18 -0.795 4.116 -12.582 1.00 0.00 O ATOM 270 CB LYS A 18 1.487 1.763 -12.724 1.00 0.00 C ATOM 271 CG LYS A 18 2.284 2.382 -13.874 1.00 0.00 C ATOM 272 CD LYS A 18 3.657 1.712 -13.967 1.00 0.00 C ATOM 273 CE LYS A 18 3.691 0.786 -15.183 1.00 0.00 C ATOM 274 NZ LYS A 18 5.048 0.826 -15.799 1.00 0.00 N ATOM 0 H LYS A 18 1.879 1.553 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 18 1.638 3.768 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.091 1.015 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.607 1.250 -13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.743 2.258 -14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.401 3.454 -13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.438 2.468 -14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.859 1.144 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.445 -0.233 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.940 1.095 -15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.072 0.196 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.265 1.798 -16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.754 0.511 -15.104 1.00 0.00 H new ATOM 288 N ARG A 19 -1.283 2.360 -11.350 1.00 0.00 N ATOM 289 CA ARG A 19 -2.750 2.604 -11.488 1.00 0.00 C ATOM 290 C ARG A 19 -3.089 4.015 -10.995 1.00 0.00 C ATOM 291 O ARG A 19 -3.999 4.650 -11.488 1.00 0.00 O ATOM 292 CB ARG A 19 -3.517 1.582 -10.646 1.00 0.00 C ATOM 293 CG ARG A 19 -3.236 0.172 -11.169 1.00 0.00 C ATOM 294 CD ARG A 19 -4.545 -0.619 -11.225 1.00 0.00 C ATOM 295 NE ARG A 19 -4.800 -1.254 -9.901 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.774 -2.113 -9.766 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.761 -1.856 -8.952 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.760 -3.226 -10.444 1.00 0.00 N ATOM 0 H ARG A 19 -1.031 1.547 -10.788 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.032 2.507 -12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.218 1.659 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.586 1.790 -10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.786 0.223 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.521 -0.333 -10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.371 0.042 -11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.488 -1.382 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.214 -1.018 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.771 -0.985 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.522 -2.526 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.988 -3.426 -11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.521 -3.897 -10.338 1.00 0.00 H new ATOM 312 N HIS A 20 -2.360 4.514 -10.033 1.00 0.00 N ATOM 313 CA HIS A 20 -2.640 5.885 -9.518 1.00 0.00 C ATOM 314 C HIS A 20 -1.455 6.811 -9.816 1.00 0.00 C ATOM 315 O HIS A 20 -1.377 7.899 -9.279 1.00 0.00 O ATOM 316 CB HIS A 20 -2.852 5.841 -7.998 1.00 0.00 C ATOM 317 CG HIS A 20 -2.971 4.418 -7.519 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.194 3.794 -7.340 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.027 3.490 -7.151 1.00 0.00 C ATOM 320 CE1 HIS A 20 -3.950 2.551 -6.882 1.00 0.00 C ATOM 321 NE2 HIS A 20 -2.649 2.319 -6.751 1.00 0.00 N ATOM 0 H HIS A 20 -1.583 4.031 -9.582 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.538 6.261 -10.009 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.018 6.331 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.753 6.395 -7.735 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.111 4.201 -7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.959 3.650 -7.171 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.720 1.830 -6.649 1.00 0.00 H new ATOM 329 N GLY A 21 -0.526 6.396 -10.648 1.00 0.00 N ATOM 330 CA GLY A 21 0.654 7.266 -10.937 1.00 0.00 C ATOM 331 C GLY A 21 1.239 7.722 -9.603 1.00 0.00 C ATOM 332 O GLY A 21 1.380 8.899 -9.340 1.00 0.00 O ATOM 0 H GLY A 21 -0.536 5.499 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.400 6.718 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.356 8.126 -11.537 1.00 0.00 H new ATOM 336 N VAL A 22 1.535 6.789 -8.741 1.00 0.00 N ATOM 337 CA VAL A 22 2.061 7.152 -7.396 1.00 0.00 C ATOM 338 C VAL A 22 3.453 6.557 -7.161 1.00 0.00 C ATOM 339 O VAL A 22 3.959 5.791 -7.956 1.00 0.00 O ATOM 340 CB VAL A 22 1.101 6.630 -6.335 1.00 0.00 C ATOM 341 CG1 VAL A 22 0.089 7.718 -5.990 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.359 5.405 -6.854 1.00 0.00 C ATOM 0 H VAL A 22 1.435 5.788 -8.911 1.00 0.00 H new ATOM 0 HA VAL A 22 2.144 8.237 -7.337 1.00 0.00 H new ATOM 0 HB VAL A 22 1.670 6.354 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.599 7.347 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.613 8.594 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.471 7.991 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.324 5.041 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.207 5.673 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.077 4.623 -7.101 1.00 0.00 H new ATOM 352 N ASN A 23 4.077 6.922 -6.066 1.00 0.00 N ATOM 353 CA ASN A 23 5.443 6.402 -5.761 1.00 0.00 C ATOM 354 C ASN A 23 5.364 5.343 -4.657 1.00 0.00 C ATOM 355 O ASN A 23 5.374 5.638 -3.471 1.00 0.00 O ATOM 356 CB ASN A 23 6.327 7.558 -5.293 1.00 0.00 C ATOM 357 CG ASN A 23 6.783 8.377 -6.501 1.00 0.00 C ATOM 358 OD1 ASN A 23 6.028 8.579 -7.432 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.992 8.864 -6.526 1.00 0.00 N ATOM 0 H ASN A 23 3.695 7.561 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 23 5.867 5.951 -6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.776 8.192 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.193 7.172 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.304 9.414 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.626 8.695 -5.745 1.00 0.00 H new ATOM 366 N ILE A 24 5.296 4.102 -5.031 1.00 0.00 N ATOM 367 CA ILE A 24 5.223 3.031 -4.004 1.00 0.00 C ATOM 368 C ILE A 24 6.366 3.206 -3.003 1.00 0.00 C ATOM 369 O ILE A 24 6.260 2.805 -1.864 1.00 0.00 O ATOM 370 CB ILE A 24 5.294 1.674 -4.683 1.00 0.00 C ATOM 371 CG1 ILE A 24 4.165 1.585 -5.686 1.00 0.00 C ATOM 372 CG2 ILE A 24 5.100 0.568 -3.661 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.817 1.683 -4.951 1.00 0.00 C ATOM 0 H ILE A 24 5.288 3.782 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 24 4.279 3.096 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 24 6.265 1.562 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.251 2.387 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.225 0.645 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.153 -0.400 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.882 0.630 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.126 0.679 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.003 1.619 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.732 0.865 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.759 2.635 -4.423 1.00 0.00 H new ATOM 385 N LYS A 25 7.443 3.839 -3.398 1.00 0.00 N ATOM 386 CA LYS A 25 8.539 4.071 -2.424 1.00 0.00 C ATOM 387 C LYS A 25 7.981 4.961 -1.316 1.00 0.00 C ATOM 388 O LYS A 25 8.249 4.756 -0.150 1.00 0.00 O ATOM 389 CB LYS A 25 9.729 4.759 -3.094 1.00 0.00 C ATOM 390 CG LYS A 25 9.247 5.902 -3.993 1.00 0.00 C ATOM 391 CD LYS A 25 10.447 6.742 -4.437 1.00 0.00 C ATOM 392 CE LYS A 25 11.471 5.843 -5.132 1.00 0.00 C ATOM 393 NZ LYS A 25 11.919 6.487 -6.399 1.00 0.00 N ATOM 0 H LYS A 25 7.604 4.198 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 25 8.892 3.120 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.408 5.147 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.291 4.035 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.728 5.500 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.532 6.525 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.121 7.531 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.902 7.230 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.325 5.672 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.031 4.868 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.615 5.876 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.101 6.628 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.354 7.407 -6.186 1.00 0.00 H new ATOM 407 N ASP A 26 7.161 5.923 -1.667 1.00 0.00 N ATOM 408 CA ASP A 26 6.540 6.778 -0.624 1.00 0.00 C ATOM 409 C ASP A 26 5.685 5.864 0.223 1.00 0.00 C ATOM 410 O ASP A 26 5.663 5.950 1.436 1.00 0.00 O ATOM 411 CB ASP A 26 5.651 7.857 -1.244 1.00 0.00 C ATOM 412 CG ASP A 26 6.471 8.749 -2.180 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.678 8.586 -2.224 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.873 9.590 -2.831 1.00 0.00 O ATOM 0 H ASP A 26 6.900 6.147 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 26 7.313 7.282 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.835 7.392 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.199 8.462 -0.458 1.00 0.00 H new ATOM 419 N VAL A 27 5.004 4.956 -0.417 1.00 0.00 N ATOM 420 CA VAL A 27 4.178 3.986 0.359 1.00 0.00 C ATOM 421 C VAL A 27 5.093 3.264 1.348 1.00 0.00 C ATOM 422 O VAL A 27 4.771 3.107 2.512 1.00 0.00 O ATOM 423 CB VAL A 27 3.540 2.967 -0.577 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.573 2.096 0.220 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.785 3.711 -1.674 1.00 0.00 C ATOM 0 H VAL A 27 4.982 4.842 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 27 3.385 4.517 0.886 1.00 0.00 H new ATOM 0 HB VAL A 27 4.306 2.335 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.112 1.364 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.116 1.578 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.799 2.723 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.324 2.991 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.012 4.334 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.479 4.340 -2.231 1.00 0.00 H new ATOM 435 N MET A 28 6.255 2.856 0.900 1.00 0.00 N ATOM 436 CA MET A 28 7.209 2.183 1.822 1.00 0.00 C ATOM 437 C MET A 28 7.815 3.243 2.748 1.00 0.00 C ATOM 438 O MET A 28 8.433 2.936 3.745 1.00 0.00 O ATOM 439 CB MET A 28 8.318 1.512 1.010 1.00 0.00 C ATOM 440 CG MET A 28 7.697 0.550 -0.006 1.00 0.00 C ATOM 441 SD MET A 28 7.899 -1.152 0.576 1.00 0.00 S ATOM 442 CE MET A 28 9.261 -1.607 -0.527 1.00 0.00 C ATOM 0 H MET A 28 6.579 2.961 -0.061 1.00 0.00 H new ATOM 0 HA MET A 28 6.693 1.424 2.410 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.914 2.266 0.496 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.993 0.971 1.674 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.639 0.777 -0.139 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.174 0.673 -0.978 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.553 -2.640 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.939 -1.506 -1.563 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.111 -0.950 -0.345 1.00 0.00 H new ATOM 452 N ARG A 29 7.635 4.496 2.419 1.00 0.00 N ATOM 453 CA ARG A 29 8.182 5.582 3.272 1.00 0.00 C ATOM 454 C ARG A 29 7.321 5.708 4.530 1.00 0.00 C ATOM 455 O ARG A 29 7.828 5.846 5.624 1.00 0.00 O ATOM 456 CB ARG A 29 8.150 6.902 2.500 1.00 0.00 C ATOM 457 CG ARG A 29 9.097 7.907 3.156 1.00 0.00 C ATOM 458 CD ARG A 29 9.371 9.052 2.180 1.00 0.00 C ATOM 459 NE ARG A 29 9.886 10.232 2.930 1.00 0.00 N ATOM 460 CZ ARG A 29 10.743 11.038 2.366 1.00 0.00 C ATOM 461 NH1 ARG A 29 10.354 12.209 1.938 1.00 0.00 N ATOM 462 NH2 ARG A 29 11.989 10.673 2.228 1.00 0.00 N ATOM 0 H ARG A 29 7.129 4.811 1.591 1.00 0.00 H new ATOM 0 HA ARG A 29 9.210 5.351 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.443 6.735 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.136 7.301 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.656 8.294 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.031 7.418 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.098 8.739 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.457 9.317 1.648 1.00 0.00 H new ATOM 0 HE ARG A 29 9.569 10.409 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.380 12.493 2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.024 12.839 1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.292 9.758 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.659 11.303 1.787 1.00 0.00 H new ATOM 476 N TRP A 30 6.019 5.650 4.390 1.00 0.00 N ATOM 477 CA TRP A 30 5.150 5.758 5.600 1.00 0.00 C ATOM 478 C TRP A 30 5.063 4.393 6.278 1.00 0.00 C ATOM 479 O TRP A 30 5.085 4.289 7.488 1.00 0.00 O ATOM 480 CB TRP A 30 3.746 6.218 5.207 1.00 0.00 C ATOM 481 CG TRP A 30 3.847 7.395 4.299 1.00 0.00 C ATOM 482 CD1 TRP A 30 4.311 8.615 4.649 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.490 7.480 2.896 1.00 0.00 C ATOM 484 NE1 TRP A 30 4.265 9.444 3.543 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.765 8.787 2.437 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.958 6.553 1.989 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.523 9.161 1.116 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.713 6.922 0.663 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.995 8.224 0.225 1.00 0.00 C ATOM 0 H TRP A 30 5.527 5.534 3.504 1.00 0.00 H new ATOM 0 HA TRP A 30 5.582 6.489 6.284 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.211 5.408 4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.175 6.480 6.098 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.660 8.896 5.631 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.563 10.419 3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.736 5.548 2.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.742 10.165 0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.304 6.200 -0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.804 8.502 -0.801 1.00 0.00 H new ATOM 500 N ASN A 31 4.969 3.341 5.510 1.00 0.00 N ATOM 501 CA ASN A 31 4.885 1.989 6.127 1.00 0.00 C ATOM 502 C ASN A 31 6.255 1.322 6.082 1.00 0.00 C ATOM 503 O ASN A 31 6.929 1.327 5.074 1.00 0.00 O ATOM 504 CB ASN A 31 3.885 1.127 5.363 1.00 0.00 C ATOM 505 CG ASN A 31 2.566 1.888 5.203 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.698 1.804 6.049 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.376 2.634 4.147 1.00 0.00 N ATOM 0 H ASN A 31 4.947 3.360 4.490 1.00 0.00 H new ATOM 0 HA ASN A 31 4.557 2.092 7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.287 0.867 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.714 0.192 5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.500 3.145 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.104 2.706 3.436 1.00 0.00 H new ATOM 514 N SER A 32 6.663 0.734 7.166 1.00 0.00 N ATOM 515 CA SER A 32 7.986 0.052 7.193 1.00 0.00 C ATOM 516 C SER A 32 7.786 -1.414 6.836 1.00 0.00 C ATOM 517 O SER A 32 7.938 -1.818 5.702 1.00 0.00 O ATOM 518 CB SER A 32 8.600 0.173 8.589 1.00 0.00 C ATOM 519 OG SER A 32 9.177 1.463 8.737 1.00 0.00 O ATOM 0 H SER A 32 6.137 0.695 8.039 1.00 0.00 H new ATOM 0 HA SER A 32 8.661 0.516 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.836 0.014 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.359 -0.596 8.733 1.00 0.00 H new ATOM 0 HG SER A 32 9.570 1.545 9.631 1.00 0.00 H new ATOM 525 N ASP A 33 7.420 -2.204 7.795 1.00 0.00 N ATOM 526 CA ASP A 33 7.175 -3.642 7.516 1.00 0.00 C ATOM 527 C ASP A 33 5.849 -3.754 6.770 1.00 0.00 C ATOM 528 O ASP A 33 4.788 -3.662 7.355 1.00 0.00 O ATOM 529 CB ASP A 33 7.097 -4.419 8.832 1.00 0.00 C ATOM 530 CG ASP A 33 7.590 -5.851 8.612 1.00 0.00 C ATOM 531 OD1 ASP A 33 7.470 -6.334 7.498 1.00 0.00 O ATOM 532 OD2 ASP A 33 8.079 -6.441 9.562 1.00 0.00 O ATOM 0 H ASP A 33 7.279 -1.918 8.764 1.00 0.00 H new ATOM 0 HA ASP A 33 7.985 -4.057 6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.704 -3.928 9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.071 -4.429 9.200 1.00 0.00 H new ATOM 537 N THR A 34 5.897 -3.926 5.480 1.00 0.00 N ATOM 538 CA THR A 34 4.634 -4.017 4.696 1.00 0.00 C ATOM 539 C THR A 34 4.078 -5.443 4.741 1.00 0.00 C ATOM 540 O THR A 34 3.697 -6.006 3.731 1.00 0.00 O ATOM 541 CB THR A 34 4.914 -3.618 3.247 1.00 0.00 C ATOM 542 OG1 THR A 34 6.099 -4.261 2.801 1.00 0.00 O ATOM 543 CG2 THR A 34 5.088 -2.101 3.160 1.00 0.00 C ATOM 0 H THR A 34 6.755 -4.008 4.934 1.00 0.00 H new ATOM 0 HA THR A 34 3.895 -3.343 5.130 1.00 0.00 H new ATOM 0 HB THR A 34 4.078 -3.922 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.279 -4.007 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.288 -1.816 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.177 -1.610 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.924 -1.794 3.789 1.00 0.00 H new ATOM 551 N ALA A 35 4.001 -6.028 5.907 1.00 0.00 N ATOM 552 CA ALA A 35 3.445 -7.402 6.013 1.00 0.00 C ATOM 553 C ALA A 35 1.948 -7.368 5.696 1.00 0.00 C ATOM 554 O ALA A 35 1.320 -8.393 5.519 1.00 0.00 O ATOM 555 CB ALA A 35 3.657 -7.934 7.432 1.00 0.00 C ATOM 0 H ALA A 35 4.300 -5.611 6.789 1.00 0.00 H new ATOM 0 HA ALA A 35 3.953 -8.056 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.249 -8.942 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.723 -7.957 7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.150 -7.283 8.144 1.00 0.00 H new ATOM 561 N ASN A 36 1.373 -6.197 5.607 1.00 0.00 N ATOM 562 CA ASN A 36 -0.072 -6.101 5.286 1.00 0.00 C ATOM 563 C ASN A 36 -0.270 -6.219 3.772 1.00 0.00 C ATOM 564 O ASN A 36 -1.378 -6.166 3.286 1.00 0.00 O ATOM 565 CB ASN A 36 -0.615 -4.755 5.764 1.00 0.00 C ATOM 566 CG ASN A 36 -0.480 -4.660 7.284 1.00 0.00 C ATOM 567 OD1 ASN A 36 -0.319 -5.658 7.957 1.00 0.00 O ATOM 568 ND2 ASN A 36 -0.539 -3.489 7.859 1.00 0.00 N ATOM 0 H ASN A 36 1.847 -5.304 5.744 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.606 -6.908 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.068 -3.941 5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.660 -4.649 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.450 -3.413 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.674 -2.650 7.295 1.00 0.00 H new ATOM 575 N LEU A 37 0.786 -6.383 3.014 1.00 0.00 N ATOM 576 CA LEU A 37 0.609 -6.508 1.541 1.00 0.00 C ATOM 577 C LEU A 37 0.354 -7.978 1.217 1.00 0.00 C ATOM 578 O LEU A 37 1.172 -8.654 0.625 1.00 0.00 O ATOM 579 CB LEU A 37 1.863 -6.029 0.806 1.00 0.00 C ATOM 580 CG LEU A 37 1.932 -4.498 0.816 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.640 -3.957 2.215 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.331 -4.056 0.394 1.00 0.00 C ATOM 0 H LEU A 37 1.748 -6.435 3.348 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.230 -5.892 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.752 -6.443 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.852 -6.393 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 37 1.186 -4.108 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.694 -2.868 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.642 -4.268 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.376 -4.348 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.386 -2.967 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.066 -4.460 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.542 -4.425 -0.610 1.00 0.00 H new ATOM 594 N GLN A 38 -0.784 -8.471 1.608 1.00 0.00 N ATOM 595 CA GLN A 38 -1.138 -9.882 1.350 1.00 0.00 C ATOM 596 C GLN A 38 -2.210 -9.887 0.278 1.00 0.00 C ATOM 597 O GLN A 38 -2.809 -8.861 0.014 1.00 0.00 O ATOM 598 CB GLN A 38 -1.684 -10.510 2.633 1.00 0.00 C ATOM 599 CG GLN A 38 -0.524 -10.821 3.579 1.00 0.00 C ATOM 600 CD GLN A 38 0.125 -12.144 3.174 1.00 0.00 C ATOM 601 OE1 GLN A 38 1.296 -12.187 2.854 1.00 0.00 O ATOM 602 NE2 GLN A 38 -0.592 -13.235 3.171 1.00 0.00 N ATOM 0 H GLN A 38 -1.497 -7.939 2.107 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.268 -10.453 1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.387 -9.830 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.232 -11.423 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.212 -10.018 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.884 -10.880 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.575 -13.200 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.169 -14.123 2.900 1.00 0.00 H new ATOM 611 N PRO A 39 -2.426 -11.024 -0.313 1.00 0.00 N ATOM 612 CA PRO A 39 -3.429 -11.151 -1.366 1.00 0.00 C ATOM 613 C PRO A 39 -4.824 -10.995 -0.770 1.00 0.00 C ATOM 614 O PRO A 39 -5.471 -11.949 -0.385 1.00 0.00 O ATOM 615 CB PRO A 39 -3.178 -12.545 -1.946 1.00 0.00 C ATOM 616 CG PRO A 39 -2.419 -13.334 -0.857 1.00 0.00 C ATOM 617 CD PRO A 39 -1.728 -12.279 0.029 1.00 0.00 C ATOM 0 HA PRO A 39 -3.362 -10.388 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.117 -13.036 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.592 -12.485 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.104 -13.947 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.688 -14.009 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.828 -12.517 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.661 -12.214 -0.183 1.00 0.00 H new ATOM 625 N GLY A 40 -5.273 -9.776 -0.686 1.00 0.00 N ATOM 626 CA GLY A 40 -6.610 -9.491 -0.110 1.00 0.00 C ATOM 627 C GLY A 40 -6.481 -8.436 1.000 1.00 0.00 C ATOM 628 O GLY A 40 -7.393 -8.244 1.778 1.00 0.00 O ATOM 0 H GLY A 40 -4.759 -8.952 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.283 -9.133 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.046 -10.405 0.293 1.00 0.00 H new ATOM 632 N ASP A 41 -5.364 -7.746 1.091 1.00 0.00 N ATOM 633 CA ASP A 41 -5.228 -6.719 2.166 1.00 0.00 C ATOM 634 C ASP A 41 -5.123 -5.332 1.533 1.00 0.00 C ATOM 635 O ASP A 41 -4.621 -5.182 0.441 1.00 0.00 O ATOM 636 CB ASP A 41 -3.972 -7.002 2.986 1.00 0.00 C ATOM 637 CG ASP A 41 -4.283 -8.040 4.062 1.00 0.00 C ATOM 638 OD1 ASP A 41 -4.721 -9.122 3.707 1.00 0.00 O ATOM 639 OD2 ASP A 41 -4.075 -7.738 5.226 1.00 0.00 O ATOM 0 H ASP A 41 -4.557 -7.850 0.477 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.101 -6.756 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.176 -7.365 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.612 -6.082 3.447 1.00 0.00 H new ATOM 644 N LYS A 42 -5.596 -4.316 2.205 1.00 0.00 N ATOM 645 CA LYS A 42 -5.529 -2.947 1.623 1.00 0.00 C ATOM 646 C LYS A 42 -4.156 -2.326 1.894 1.00 0.00 C ATOM 647 O LYS A 42 -3.435 -2.737 2.781 1.00 0.00 O ATOM 648 CB LYS A 42 -6.624 -2.073 2.238 1.00 0.00 C ATOM 649 CG LYS A 42 -6.202 -1.621 3.635 1.00 0.00 C ATOM 650 CD LYS A 42 -7.431 -1.558 4.543 1.00 0.00 C ATOM 651 CE LYS A 42 -7.732 -2.955 5.093 1.00 0.00 C ATOM 652 NZ LYS A 42 -6.921 -3.190 6.319 1.00 0.00 N ATOM 0 H LYS A 42 -6.024 -4.376 3.129 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.680 -3.011 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.807 -1.205 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.559 -2.631 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.468 -2.313 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.724 -0.643 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.255 -0.863 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.289 -1.182 3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.794 -3.046 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.503 -3.711 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.125 -4.139 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.910 -3.120 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.161 -2.476 7.036 1.00 0.00 H new ATOM 666 N LEU A 43 -3.787 -1.350 1.110 1.00 0.00 N ATOM 667 CA LEU A 43 -2.461 -0.701 1.278 1.00 0.00 C ATOM 668 C LEU A 43 -2.611 0.817 1.193 1.00 0.00 C ATOM 669 O LEU A 43 -3.311 1.334 0.344 1.00 0.00 O ATOM 670 CB LEU A 43 -1.542 -1.161 0.154 1.00 0.00 C ATOM 671 CG LEU A 43 -0.302 -1.854 0.719 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.842 -1.675 -0.267 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.102 -1.234 2.061 1.00 0.00 C ATOM 0 H LEU A 43 -4.356 -0.972 0.352 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.047 -0.974 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.078 -1.844 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.242 -0.305 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.524 -2.910 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.736 -2.164 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.571 -2.121 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.040 -0.612 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.986 -1.742 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.324 -0.176 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.716 -1.342 2.773 1.00 0.00 H new ATOM 685 N THR A 44 -1.954 1.533 2.065 1.00 0.00 N ATOM 686 CA THR A 44 -2.047 3.011 2.042 1.00 0.00 C ATOM 687 C THR A 44 -1.293 3.562 0.834 1.00 0.00 C ATOM 688 O THR A 44 -0.109 3.341 0.675 1.00 0.00 O ATOM 689 CB THR A 44 -1.415 3.588 3.313 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.436 3.843 4.269 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.680 4.897 2.985 1.00 0.00 C ATOM 0 H THR A 44 -1.354 1.150 2.795 1.00 0.00 H new ATOM 0 HA THR A 44 -3.098 3.294 1.984 1.00 0.00 H new ATOM 0 HB THR A 44 -0.701 2.871 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.036 4.211 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.233 5.301 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.103 4.701 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.387 5.619 2.576 1.00 0.00 H new ATOM 699 N LEU A 45 -1.958 4.310 0.004 1.00 0.00 N ATOM 700 CA LEU A 45 -1.263 4.912 -1.158 1.00 0.00 C ATOM 701 C LEU A 45 -1.258 6.425 -0.958 1.00 0.00 C ATOM 702 O LEU A 45 -1.715 7.171 -1.804 1.00 0.00 O ATOM 703 CB LEU A 45 -1.981 4.578 -2.471 1.00 0.00 C ATOM 704 CG LEU A 45 -1.495 3.241 -3.026 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.573 2.684 -3.947 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.213 3.447 -3.835 1.00 0.00 C ATOM 0 H LEU A 45 -2.951 4.529 0.081 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.250 4.514 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.057 4.538 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.801 5.367 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.294 2.553 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.245 1.728 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.495 2.541 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.752 3.384 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.127 2.489 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.410 4.129 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.559 3.871 -3.192 1.00 0.00 H new ATOM 718 N PHE A 46 -0.725 6.887 0.153 1.00 0.00 N ATOM 719 CA PHE A 46 -0.661 8.359 0.394 1.00 0.00 C ATOM 720 C PHE A 46 0.056 8.993 -0.794 1.00 0.00 C ATOM 721 O PHE A 46 -0.073 10.170 -1.062 1.00 0.00 O ATOM 722 CB PHE A 46 0.138 8.648 1.670 1.00 0.00 C ATOM 723 CG PHE A 46 -0.760 8.582 2.882 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.033 9.164 2.848 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.310 7.946 4.045 1.00 0.00 C ATOM 726 CE1 PHE A 46 -2.857 9.105 3.978 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.136 7.886 5.174 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.409 8.466 5.141 1.00 0.00 C ATOM 0 H PHE A 46 -0.335 6.308 0.896 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.667 8.764 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.948 7.926 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.597 9.634 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.379 9.658 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.674 7.502 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.839 9.553 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.791 7.392 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.046 8.421 6.012 1.00 0.00 H new ATOM 738 N VAL A 47 0.812 8.184 -1.493 1.00 0.00 N ATOM 739 CA VAL A 47 1.572 8.629 -2.682 1.00 0.00 C ATOM 740 C VAL A 47 0.769 9.644 -3.491 1.00 0.00 C ATOM 741 O VAL A 47 1.294 10.625 -3.977 1.00 0.00 O ATOM 742 CB VAL A 47 1.876 7.389 -3.535 1.00 0.00 C ATOM 743 CG1 VAL A 47 3.128 6.702 -3.018 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.727 6.373 -3.458 1.00 0.00 C ATOM 0 H VAL A 47 0.932 7.196 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 47 2.497 9.116 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 47 2.009 7.722 -4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.339 5.823 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.970 7.392 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.975 6.398 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.968 5.504 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.587 6.060 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.191 6.833 -3.825 1.00 0.00 H new ATOM 754 N LYS A 48 -0.498 9.417 -3.630 1.00 0.00 N ATOM 755 CA LYS A 48 -1.348 10.367 -4.398 1.00 0.00 C ATOM 756 C LYS A 48 -1.833 11.480 -3.466 1.00 0.00 C ATOM 757 O LYS A 48 -2.955 11.390 -2.996 1.00 0.00 O ATOM 758 CB LYS A 48 -2.552 9.622 -4.978 1.00 0.00 C ATOM 759 CG LYS A 48 -3.199 10.467 -6.076 1.00 0.00 C ATOM 760 CD LYS A 48 -2.167 10.771 -7.162 1.00 0.00 C ATOM 761 CE LYS A 48 -2.882 11.244 -8.428 1.00 0.00 C ATOM 762 NZ LYS A 48 -2.808 12.731 -8.517 1.00 0.00 N ATOM 763 OXT LYS A 48 -1.070 12.404 -3.233 1.00 0.00 O ATOM 0 H LYS A 48 -0.989 8.611 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.767 10.801 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.236 8.661 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.277 9.414 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.048 9.936 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.584 11.396 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.474 11.537 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.576 9.880 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.422 10.793 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.923 10.922 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.295 13.052 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.266 13.152 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.812 13.028 -8.551 1.00 0.00 H new TER 777 LYS A 48