USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 462 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 2 ASN : amide:sc=-0.00926 X(o=-0.0093,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS :FLIP no HE2:sc= -0.536 F(o=-1.5,f=-0.54) USER MOD Single : A -5 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.099) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -164:sc= -1.83 (180deg=-2.64!) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 73:sc= 0.0365 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.086 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= -0.0867 (180deg=-0.161) USER MOD Single : A 15 SER OG : rot 41:sc= 0.434 USER MOD Single : A 17 ASN : amide:sc= -0.0547 K(o=-0.055,f=-1.9!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 104:sc= -2.34! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.6!) USER MOD Single : A -14 LYS NZ :NH3+ -124:sc= -0.0167 (180deg=-0.37) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A -18 MET CE :methyl -158:sc= -0.0931 (180deg=-0.579) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 4.483 27.156 -9.498 1.00 0.00 N ATOM 2 CA MET A -18 3.303 28.032 -9.723 1.00 0.00 C ATOM 3 C MET A -18 2.454 27.526 -10.885 1.00 0.00 C ATOM 4 O MET A -18 1.235 27.394 -10.765 1.00 0.00 O ATOM 5 CB MET A -18 3.797 29.451 -10.010 1.00 0.00 C ATOM 6 CG MET A -18 2.911 30.534 -9.417 1.00 0.00 C ATOM 7 SD MET A -18 1.368 30.744 -10.325 1.00 0.00 S ATOM 8 CE MET A -18 1.971 31.449 -11.858 1.00 0.00 C ATOM 0 H1 MET A -18 5.042 27.524 -8.702 1.00 0.00 H new ATOM 0 H2 MET A -18 4.162 26.191 -9.279 1.00 0.00 H new ATOM 0 H3 MET A -18 5.071 27.139 -10.355 1.00 0.00 H new ATOM 0 HA MET A -18 2.677 28.024 -8.831 1.00 0.00 H new ATOM 0 HB2 MET A -18 4.807 29.562 -9.615 1.00 0.00 H new ATOM 0 HB3 MET A -18 3.859 29.594 -11.089 1.00 0.00 H new ATOM 0 HG2 MET A -18 2.687 30.287 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A -18 3.455 31.479 -9.409 1.00 0.00 H new ATOM 0 HE1 MET A -18 1.163 31.987 -12.354 1.00 0.00 H new ATOM 0 HE2 MET A -18 2.788 32.138 -11.645 1.00 0.00 H new ATOM 0 HE3 MET A -18 2.329 30.652 -12.509 1.00 0.00 H new ATOM 20 N ASN A -17 3.106 27.244 -12.008 1.00 0.00 N ATOM 21 CA ASN A -17 2.410 26.751 -13.191 1.00 0.00 C ATOM 22 C ASN A -17 2.313 25.230 -13.172 1.00 0.00 C ATOM 23 O ASN A -17 2.753 24.555 -14.104 1.00 0.00 O ATOM 24 CB ASN A -17 3.131 27.215 -14.460 1.00 0.00 C ATOM 25 CG ASN A -17 2.168 27.544 -15.584 1.00 0.00 C ATOM 26 OD1 ASN A -17 2.202 26.924 -16.647 1.00 0.00 O ATOM 27 ND2 ASN A -17 1.302 28.525 -15.354 1.00 0.00 N ATOM 0 H ASN A -17 4.114 27.348 -12.124 1.00 0.00 H new ATOM 0 HA ASN A -17 1.399 27.159 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A -17 3.733 28.095 -14.232 1.00 0.00 H new ATOM 0 HB3 ASN A -17 3.818 26.436 -14.790 1.00 0.00 H new ATOM 0 HD21 ASN A -17 0.630 28.791 -16.074 1.00 0.00 H new ATOM 0 HD22 ASN A -17 1.309 29.012 -14.458 1.00 0.00 H new ATOM 34 N SER A -16 1.735 24.693 -12.102 1.00 0.00 N ATOM 35 CA SER A -16 1.580 23.251 -11.960 1.00 0.00 C ATOM 36 C SER A -16 0.239 22.790 -12.523 1.00 0.00 C ATOM 37 O SER A -16 -0.669 22.420 -11.777 1.00 0.00 O ATOM 38 CB SER A -16 1.698 22.845 -10.490 1.00 0.00 C ATOM 39 OG SER A -16 3.032 22.495 -10.163 1.00 0.00 O ATOM 0 H SER A -16 1.366 25.236 -11.321 1.00 0.00 H new ATOM 0 HA SER A -16 2.376 22.768 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A -16 1.368 23.667 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A -16 1.038 22.002 -10.288 1.00 0.00 H new ATOM 0 HG SER A -16 3.081 22.241 -9.218 1.00 0.00 H new ATOM 45 N VAL A -15 0.125 22.802 -13.846 1.00 0.00 N ATOM 46 CA VAL A -15 -1.106 22.384 -14.504 1.00 0.00 C ATOM 47 C VAL A -15 -1.019 20.926 -14.922 1.00 0.00 C ATOM 48 O VAL A -15 -2.033 20.238 -15.033 1.00 0.00 O ATOM 49 CB VAL A -15 -1.404 23.250 -15.744 1.00 0.00 C ATOM 50 CG1 VAL A -15 -2.768 22.907 -16.322 1.00 0.00 C ATOM 51 CG2 VAL A -15 -1.321 24.727 -15.394 1.00 0.00 C ATOM 0 H VAL A -15 0.867 23.095 -14.481 1.00 0.00 H new ATOM 0 HA VAL A -15 -1.916 22.511 -13.786 1.00 0.00 H new ATOM 0 HB VAL A -15 -0.651 23.036 -16.503 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -2.960 23.529 -17.196 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -2.786 21.857 -16.613 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -3.537 23.089 -15.572 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -1.534 25.324 -16.281 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -2.050 24.958 -14.617 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -0.319 24.960 -15.032 1.00 0.00 H new ATOM 61 N LYS A -14 0.202 20.451 -15.119 1.00 0.00 N ATOM 62 CA LYS A -14 0.424 19.062 -15.486 1.00 0.00 C ATOM 63 C LYS A -14 0.478 18.207 -14.227 1.00 0.00 C ATOM 64 O LYS A -14 0.095 17.038 -14.238 1.00 0.00 O ATOM 65 CB LYS A -14 1.720 18.913 -16.287 1.00 0.00 C ATOM 66 CG LYS A -14 1.772 17.650 -17.129 1.00 0.00 C ATOM 67 CD LYS A -14 1.399 17.928 -18.576 1.00 0.00 C ATOM 68 CE LYS A -14 -0.100 18.128 -18.735 1.00 0.00 C ATOM 69 NZ LYS A -14 -0.478 19.567 -18.680 1.00 0.00 N ATOM 0 H LYS A -14 1.053 21.007 -15.031 1.00 0.00 H new ATOM 0 HA LYS A -14 -0.401 18.726 -16.115 1.00 0.00 H new ATOM 0 HB2 LYS A -14 1.836 19.779 -16.938 1.00 0.00 H new ATOM 0 HB3 LYS A -14 2.565 18.916 -15.599 1.00 0.00 H new ATOM 0 HG2 LYS A -14 2.774 17.224 -17.086 1.00 0.00 H new ATOM 0 HG3 LYS A -14 1.092 16.906 -16.713 1.00 0.00 H new ATOM 0 HD2 LYS A -14 1.925 18.817 -18.924 1.00 0.00 H new ATOM 0 HD3 LYS A -14 1.725 17.098 -19.203 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -0.424 17.704 -19.685 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -0.624 17.585 -17.949 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -1.185 19.712 -17.932 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 0.365 20.140 -18.475 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -0.878 19.856 -19.595 1.00 0.00 H new ATOM 83 N GLU A -13 0.941 18.813 -13.136 1.00 0.00 N ATOM 84 CA GLU A -13 1.029 18.127 -11.861 1.00 0.00 C ATOM 85 C GLU A -13 -0.336 18.086 -11.195 1.00 0.00 C ATOM 86 O GLU A -13 -0.715 17.088 -10.583 1.00 0.00 O ATOM 87 CB GLU A -13 2.045 18.817 -10.948 1.00 0.00 C ATOM 88 CG GLU A -13 3.429 18.192 -10.994 1.00 0.00 C ATOM 89 CD GLU A -13 3.525 16.922 -10.171 1.00 0.00 C ATOM 90 OE1 GLU A -13 2.970 16.896 -9.053 1.00 0.00 O ATOM 91 OE2 GLU A -13 4.155 15.953 -10.645 1.00 0.00 O ATOM 0 H GLU A -13 1.261 19.781 -13.116 1.00 0.00 H new ATOM 0 HA GLU A -13 1.365 17.105 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A -13 2.120 19.867 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A -13 1.677 18.789 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A -13 3.689 17.970 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A -13 4.161 18.913 -10.629 1.00 0.00 H new ATOM 98 N LEU A -12 -1.073 19.181 -11.328 1.00 0.00 N ATOM 99 CA LEU A -12 -2.406 19.276 -10.748 1.00 0.00 C ATOM 100 C LEU A -12 -3.415 18.484 -11.574 1.00 0.00 C ATOM 101 O LEU A -12 -4.439 18.035 -11.056 1.00 0.00 O ATOM 102 CB LEU A -12 -2.840 20.740 -10.643 1.00 0.00 C ATOM 103 CG LEU A -12 -3.942 21.021 -9.618 1.00 0.00 C ATOM 104 CD1 LEU A -12 -5.267 20.438 -10.083 1.00 0.00 C ATOM 105 CD2 LEU A -12 -3.561 20.460 -8.256 1.00 0.00 C ATOM 0 H LEU A -12 -0.771 20.015 -11.832 1.00 0.00 H new ATOM 0 HA LEU A -12 -2.372 18.848 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -1.968 21.344 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -3.184 21.072 -11.623 1.00 0.00 H new ATOM 0 HG LEU A -12 -4.056 22.101 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -6.037 20.648 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -5.548 20.888 -11.035 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -5.167 19.360 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -4.356 20.669 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -3.417 19.382 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -2.636 20.926 -7.916 1.00 0.00 H new ATOM 117 N ASN A -11 -3.120 18.309 -12.858 1.00 0.00 N ATOM 118 CA ASN A -11 -4.003 17.566 -13.747 1.00 0.00 C ATOM 119 C ASN A -11 -3.952 16.074 -13.441 1.00 0.00 C ATOM 120 O ASN A -11 -4.940 15.359 -13.605 1.00 0.00 O ATOM 121 CB ASN A -11 -3.627 17.815 -15.210 1.00 0.00 C ATOM 122 CG ASN A -11 -4.519 17.059 -16.177 1.00 0.00 C ATOM 123 OD1 ASN A -11 -4.679 15.843 -16.071 1.00 0.00 O ATOM 124 ND2 ASN A -11 -5.104 17.778 -17.127 1.00 0.00 N ATOM 0 H ASN A -11 -2.278 18.671 -13.305 1.00 0.00 H new ATOM 0 HA ASN A -11 -5.021 17.918 -13.581 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -3.690 18.882 -15.421 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -2.590 17.519 -15.370 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -5.715 17.325 -17.807 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -4.943 18.784 -17.177 1.00 0.00 H new ATOM 131 N VAL A -10 -2.792 15.617 -12.995 1.00 0.00 N ATOM 132 CA VAL A -10 -2.597 14.212 -12.662 1.00 0.00 C ATOM 133 C VAL A -10 -3.281 13.859 -11.346 1.00 0.00 C ATOM 134 O VAL A -10 -3.911 12.808 -11.224 1.00 0.00 O ATOM 135 CB VAL A -10 -1.100 13.861 -12.560 1.00 0.00 C ATOM 136 CG1 VAL A -10 -0.912 12.359 -12.406 1.00 0.00 C ATOM 137 CG2 VAL A -10 -0.342 14.381 -13.774 1.00 0.00 C ATOM 0 H VAL A -10 -1.967 16.201 -12.854 1.00 0.00 H new ATOM 0 HA VAL A -10 -3.045 13.631 -13.468 1.00 0.00 H new ATOM 0 HB VAL A -10 -0.693 14.347 -11.673 1.00 0.00 H new ATOM 0 HG11 VAL A -10 0.152 12.131 -12.336 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -1.417 12.020 -11.501 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -1.336 11.849 -13.271 1.00 0.00 H new ATOM 0 HG21 VAL A -10 0.713 14.123 -13.682 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -0.749 13.929 -14.678 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -0.447 15.464 -13.832 1.00 0.00 H new ATOM 147 N LYS A -9 -3.152 14.744 -10.362 1.00 0.00 N ATOM 148 CA LYS A -9 -3.756 14.528 -9.051 1.00 0.00 C ATOM 149 C LYS A -9 -5.258 14.279 -9.168 1.00 0.00 C ATOM 150 O LYS A -9 -5.854 13.617 -8.320 1.00 0.00 O ATOM 151 CB LYS A -9 -3.496 15.733 -8.143 1.00 0.00 C ATOM 152 CG LYS A -9 -2.265 15.578 -7.264 1.00 0.00 C ATOM 153 CD LYS A -9 -1.091 16.382 -7.800 1.00 0.00 C ATOM 154 CE LYS A -9 -0.306 17.043 -6.678 1.00 0.00 C ATOM 155 NZ LYS A -9 0.113 18.426 -7.032 1.00 0.00 N ATOM 0 H LYS A -9 -2.634 15.619 -10.448 1.00 0.00 H new ATOM 0 HA LYS A -9 -3.297 13.642 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -3.382 16.624 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -4.367 15.894 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -2.498 15.904 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -1.989 14.525 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -0.431 15.728 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -1.456 17.145 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -0.916 17.069 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A -9 0.576 16.444 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 0.645 18.841 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 0.716 18.400 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -0.729 19.005 -7.224 1.00 0.00 H new ATOM 169 N GLU A -8 -5.862 14.815 -10.225 1.00 0.00 N ATOM 170 CA GLU A -8 -7.295 14.650 -10.451 1.00 0.00 C ATOM 171 C GLU A -8 -7.677 13.176 -10.484 1.00 0.00 C ATOM 172 O GLU A -8 -8.215 12.638 -9.517 1.00 0.00 O ATOM 173 CB GLU A -8 -7.706 15.330 -11.759 1.00 0.00 C ATOM 174 CG GLU A -8 -7.662 16.849 -11.696 1.00 0.00 C ATOM 175 CD GLU A -8 -8.919 17.445 -11.094 1.00 0.00 C ATOM 176 OE1 GLU A -8 -9.895 17.652 -11.846 1.00 0.00 O ATOM 177 OE2 GLU A -8 -8.929 17.704 -9.872 1.00 0.00 O ATOM 0 H GLU A -8 -5.383 15.366 -10.937 1.00 0.00 H new ATOM 0 HA GLU A -8 -7.825 15.121 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -7.048 14.989 -12.558 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -8.716 15.015 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -6.799 17.159 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -7.521 17.247 -12.701 1.00 0.00 H new ATOM 184 N MET A -7 -7.392 12.536 -11.605 1.00 0.00 N ATOM 185 CA MET A -7 -7.698 11.121 -11.783 1.00 0.00 C ATOM 186 C MET A -7 -6.957 10.270 -10.757 1.00 0.00 C ATOM 187 O MET A -7 -7.475 9.257 -10.282 1.00 0.00 O ATOM 188 CB MET A -7 -7.327 10.674 -13.199 1.00 0.00 C ATOM 189 CG MET A -7 -5.832 10.700 -13.475 1.00 0.00 C ATOM 190 SD MET A -7 -5.451 10.943 -15.220 1.00 0.00 S ATOM 191 CE MET A -7 -4.415 12.402 -15.140 1.00 0.00 C ATOM 0 H MET A -7 -6.947 12.974 -12.411 1.00 0.00 H new ATOM 0 HA MET A -7 -8.769 10.984 -11.634 1.00 0.00 H new ATOM 0 HB2 MET A -7 -7.700 9.663 -13.361 1.00 0.00 H new ATOM 0 HB3 MET A -7 -7.832 11.319 -13.918 1.00 0.00 H new ATOM 0 HG2 MET A -7 -5.373 11.499 -12.892 1.00 0.00 H new ATOM 0 HG3 MET A -7 -5.388 9.764 -13.137 1.00 0.00 H new ATOM 0 HE1 MET A -7 -4.331 12.844 -16.133 1.00 0.00 H new ATOM 0 HE2 MET A -7 -4.859 13.126 -14.457 1.00 0.00 H new ATOM 0 HE3 MET A -7 -3.424 12.125 -14.781 1.00 0.00 H new ATOM 201 N LYS A -6 -5.740 10.687 -10.419 1.00 0.00 N ATOM 202 CA LYS A -6 -4.924 9.962 -9.451 1.00 0.00 C ATOM 203 C LYS A -6 -5.681 9.757 -8.146 1.00 0.00 C ATOM 204 O LYS A -6 -5.800 8.630 -7.662 1.00 0.00 O ATOM 205 CB LYS A -6 -3.617 10.711 -9.185 1.00 0.00 C ATOM 206 CG LYS A -6 -2.506 10.361 -10.161 1.00 0.00 C ATOM 207 CD LYS A -6 -1.149 10.328 -9.476 1.00 0.00 C ATOM 208 CE LYS A -6 -0.795 11.680 -8.878 1.00 0.00 C ATOM 209 NZ LYS A -6 0.673 11.927 -8.896 1.00 0.00 N ATOM 0 H LYS A -6 -5.298 11.523 -10.801 1.00 0.00 H new ATOM 0 HA LYS A -6 -4.692 8.984 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -3.806 11.783 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -3.282 10.491 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -2.710 9.390 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -2.488 11.091 -10.970 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -1.155 9.572 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -0.384 10.035 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -1.303 12.468 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -1.159 11.730 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 0.873 12.859 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 1.156 11.190 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 1.017 11.905 -9.877 1.00 0.00 H new ATOM 223 N GLN A -5 -6.203 10.842 -7.578 1.00 0.00 N ATOM 224 CA GLN A -5 -6.952 10.747 -6.337 1.00 0.00 C ATOM 225 C GLN A -5 -8.415 10.402 -6.598 1.00 0.00 C ATOM 226 O GLN A -5 -9.265 10.541 -5.719 1.00 0.00 O ATOM 227 CB GLN A -5 -6.881 12.071 -5.597 1.00 0.00 C ATOM 228 CG GLN A -5 -5.512 12.378 -5.012 1.00 0.00 C ATOM 229 CD GLN A -5 -5.104 11.389 -3.937 1.00 0.00 C ATOM 230 OE1 GLN A -5 -5.668 11.374 -2.843 1.00 0.00 O ATOM 231 NE2 GLN A -5 -4.116 10.557 -4.244 1.00 0.00 N ATOM 0 H GLN A -5 -6.120 11.786 -7.956 1.00 0.00 H new ATOM 0 HA GLN A -5 -6.509 9.953 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -7.161 12.873 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -7.616 12.066 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -4.769 12.369 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -5.517 13.384 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -3.677 10.604 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -3.796 9.870 -3.561 1.00 0.00 H new ATOM 240 N LEU A -4 -8.690 9.926 -7.801 1.00 0.00 N ATOM 241 CA LEU A -4 -10.036 9.523 -8.184 1.00 0.00 C ATOM 242 C LEU A -4 -10.241 8.052 -7.869 1.00 0.00 C ATOM 243 O LEU A -4 -11.232 7.658 -7.252 1.00 0.00 O ATOM 244 CB LEU A -4 -10.274 9.783 -9.674 1.00 0.00 C ATOM 245 CG LEU A -4 -11.736 9.696 -10.120 1.00 0.00 C ATOM 246 CD1 LEU A -4 -12.570 10.760 -9.426 1.00 0.00 C ATOM 247 CD2 LEU A -4 -11.839 9.836 -11.632 1.00 0.00 C ATOM 0 H LEU A -4 -7.993 9.808 -8.536 1.00 0.00 H new ATOM 0 HA LEU A -4 -10.753 10.114 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -9.893 10.774 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -9.691 9.065 -10.251 1.00 0.00 H new ATOM 0 HG LEU A -4 -12.126 8.718 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -13.606 10.683 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -12.521 10.614 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -12.182 11.747 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -12.885 9.772 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -11.432 10.800 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -11.274 9.036 -12.111 1.00 0.00 H new ATOM 259 N HIS A -3 -9.283 7.254 -8.308 1.00 0.00 N ATOM 260 CA HIS A -3 -9.310 5.815 -8.101 1.00 0.00 C ATOM 261 C HIS A -3 -8.841 5.446 -6.693 1.00 0.00 C ATOM 262 O HIS A -3 -9.075 4.331 -6.226 1.00 0.00 O ATOM 263 CB HIS A -3 -8.433 5.120 -9.148 1.00 0.00 C ATOM 264 CG HIS A -3 -6.962 5.279 -8.912 1.00 0.00 C ATOM 265 ND1 HIS A -3 -6.143 6.338 -9.112 1.00 0.00 N flip ATOM 266 CD2 HIS A -3 -6.166 4.270 -8.413 1.00 0.00 C flip ATOM 267 CE1 HIS A -3 -4.881 5.953 -8.734 1.00 0.00 C flip ATOM 268 NE2 HIS A -3 -4.921 4.701 -8.315 1.00 0.00 N flip ATOM 0 H HIS A -3 -8.464 7.585 -8.818 1.00 0.00 H new ATOM 0 HA HIS A -3 -10.340 5.477 -8.210 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -8.676 4.057 -9.163 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -8.678 5.517 -10.133 1.00 0.00 H new ATOM 0 HD1 HIS A -3 -6.413 7.252 -9.476 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -6.507 3.281 -8.144 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -3.998 6.574 -8.773 1.00 0.00 H new ATOM 277 N GLY A -2 -8.172 6.384 -6.026 1.00 0.00 N ATOM 278 CA GLY A -2 -7.675 6.135 -4.683 1.00 0.00 C ATOM 279 C GLY A -2 -8.737 5.578 -3.752 1.00 0.00 C ATOM 280 O GLY A -2 -9.008 4.377 -3.759 1.00 0.00 O ATOM 0 H GLY A -2 -7.965 7.313 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -6.841 5.435 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -7.286 7.064 -4.267 1.00 0.00 H new ATOM 284 N GLY A -1 -9.334 6.449 -2.946 1.00 0.00 N ATOM 285 CA GLY A -1 -10.359 6.014 -2.016 1.00 0.00 C ATOM 286 C GLY A -1 -10.841 7.132 -1.113 1.00 0.00 C ATOM 287 O GLY A -1 -11.014 8.267 -1.557 1.00 0.00 O ATOM 0 H GLY A -1 -9.127 7.447 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -11.205 5.614 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.968 5.201 -1.404 1.00 0.00 H new ATOM 291 N VAL A 1 -11.060 6.807 0.159 1.00 0.00 N ATOM 292 CA VAL A 1 -11.529 7.786 1.137 1.00 0.00 C ATOM 293 C VAL A 1 -10.749 9.096 1.039 1.00 0.00 C ATOM 294 O VAL A 1 -9.643 9.132 0.501 1.00 0.00 O ATOM 295 CB VAL A 1 -11.413 7.240 2.573 1.00 0.00 C ATOM 296 CG1 VAL A 1 -12.081 8.182 3.563 1.00 0.00 C ATOM 297 CG2 VAL A 1 -12.015 5.845 2.666 1.00 0.00 C ATOM 0 H VAL A 1 -10.920 5.870 0.538 1.00 0.00 H new ATOM 0 HA VAL A 1 -12.577 7.979 0.908 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.356 7.173 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -11.987 7.777 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -11.599 9.159 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.136 8.286 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -11.923 5.477 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.068 5.884 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.485 5.174 1.990 1.00 0.00 H new ATOM 307 N ASN A 2 -11.335 10.168 1.564 1.00 0.00 N ATOM 308 CA ASN A 2 -10.698 11.479 1.538 1.00 0.00 C ATOM 309 C ASN A 2 -10.762 12.137 2.912 1.00 0.00 C ATOM 310 O ASN A 2 -11.557 13.048 3.140 1.00 0.00 O ATOM 311 CB ASN A 2 -11.371 12.376 0.497 1.00 0.00 C ATOM 312 CG ASN A 2 -10.405 13.366 -0.123 1.00 0.00 C ATOM 313 OD1 ASN A 2 -10.496 14.572 0.116 1.00 0.00 O ATOM 314 ND2 ASN A 2 -9.473 12.863 -0.924 1.00 0.00 N ATOM 0 H ASN A 2 -12.251 10.154 2.013 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.651 11.344 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -11.805 11.756 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -12.192 12.918 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.795 13.482 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.435 11.858 -1.094 1.00 0.00 H new ATOM 321 N TYR A 3 -9.920 11.662 3.824 1.00 0.00 N ATOM 322 CA TYR A 3 -9.875 12.196 5.183 1.00 0.00 C ATOM 323 C TYR A 3 -11.191 11.943 5.910 1.00 0.00 C ATOM 324 O TYR A 3 -11.972 12.866 6.143 1.00 0.00 O ATOM 325 CB TYR A 3 -9.566 13.695 5.161 1.00 0.00 C ATOM 326 CG TYR A 3 -8.117 14.012 4.869 1.00 0.00 C ATOM 327 CD1 TYR A 3 -7.599 13.872 3.587 1.00 0.00 C ATOM 328 CD2 TYR A 3 -7.266 14.451 5.875 1.00 0.00 C ATOM 329 CE1 TYR A 3 -6.275 14.162 3.317 1.00 0.00 C ATOM 330 CE2 TYR A 3 -5.940 14.743 5.613 1.00 0.00 C ATOM 331 CZ TYR A 3 -5.450 14.596 4.333 1.00 0.00 C ATOM 332 OH TYR A 3 -4.132 14.885 4.066 1.00 0.00 O ATOM 0 H TYR A 3 -9.258 10.907 3.647 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.079 11.681 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.192 14.175 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.836 14.127 6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.242 13.531 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.646 14.566 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.888 14.049 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.292 15.084 6.407 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.688 15.179 4.889 1.00 0.00 H new ATOM 342 N GLY A 4 -11.430 10.685 6.265 1.00 0.00 N ATOM 343 CA GLY A 4 -12.651 10.329 6.964 1.00 0.00 C ATOM 344 C GLY A 4 -12.598 8.930 7.545 1.00 0.00 C ATOM 345 O GLY A 4 -13.623 8.256 7.653 1.00 0.00 O ATOM 0 H GLY A 4 -10.799 9.905 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.830 11.046 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.494 10.402 6.277 1.00 0.00 H new ATOM 349 N ASN A 5 -11.401 8.493 7.922 1.00 0.00 N ATOM 350 CA ASN A 5 -11.217 7.165 8.497 1.00 0.00 C ATOM 351 C ASN A 5 -11.275 7.211 10.021 1.00 0.00 C ATOM 352 O ASN A 5 -11.531 6.200 10.673 1.00 0.00 O ATOM 353 CB ASN A 5 -9.882 6.571 8.044 1.00 0.00 C ATOM 354 CG ASN A 5 -9.959 5.073 7.825 1.00 0.00 C ATOM 355 OD1 ASN A 5 -10.696 4.370 8.518 1.00 0.00 O ATOM 356 ND2 ASN A 5 -9.197 4.577 6.858 1.00 0.00 N ATOM 0 H ASN A 5 -10.543 9.039 7.840 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.030 6.531 8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.568 7.055 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.119 6.787 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.207 3.576 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.602 5.197 6.309 1.00 0.00 H new ATOM 363 N GLY A 6 -11.037 8.392 10.582 1.00 0.00 N ATOM 364 CA GLY A 6 -11.069 8.546 12.024 1.00 0.00 C ATOM 365 C GLY A 6 -9.683 8.689 12.624 1.00 0.00 C ATOM 366 O GLY A 6 -8.976 7.699 12.811 1.00 0.00 O ATOM 0 H GLY A 6 -10.823 9.244 10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.664 9.423 12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.566 7.683 12.467 1.00 0.00 H new ATOM 370 N VAL A 7 -9.295 9.925 12.926 1.00 0.00 N ATOM 371 CA VAL A 7 -7.982 10.193 13.510 1.00 0.00 C ATOM 372 C VAL A 7 -8.079 10.410 15.008 1.00 0.00 C ATOM 373 O VAL A 7 -7.181 10.965 15.642 1.00 0.00 O ATOM 374 CB VAL A 7 -7.379 11.450 12.906 1.00 0.00 C ATOM 375 CG1 VAL A 7 -5.928 11.626 13.335 1.00 0.00 C ATOM 376 CG2 VAL A 7 -7.510 11.446 11.390 1.00 0.00 C ATOM 0 H VAL A 7 -9.868 10.755 12.777 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.358 9.324 13.300 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.940 12.304 13.285 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.524 12.534 12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.876 11.703 14.421 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.344 10.767 13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.070 12.357 10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.990 10.579 10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.564 11.399 11.116 1.00 0.00 H new ATOM 386 N SER A 8 -9.176 9.963 15.548 1.00 0.00 N ATOM 387 CA SER A 8 -9.451 10.080 16.975 1.00 0.00 C ATOM 388 C SER A 8 -8.797 8.940 17.749 1.00 0.00 C ATOM 389 O SER A 8 -8.578 7.855 17.210 1.00 0.00 O ATOM 390 CB SER A 8 -10.960 10.082 17.226 1.00 0.00 C ATOM 391 OG SER A 8 -11.297 10.934 18.307 1.00 0.00 O ATOM 0 H SER A 8 -9.917 9.503 15.019 1.00 0.00 H new ATOM 0 HA SER A 8 -9.030 11.022 17.325 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.481 10.408 16.326 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.297 9.068 17.440 1.00 0.00 H new ATOM 0 HG SER A 8 -12.267 10.919 18.446 1.00 0.00 H new ATOM 397 N CYS A 9 -8.486 9.195 19.016 1.00 0.00 N ATOM 398 CA CYS A 9 -7.856 8.189 19.865 1.00 0.00 C ATOM 399 C CYS A 9 -8.734 6.947 19.983 1.00 0.00 C ATOM 400 O CYS A 9 -9.892 7.031 20.391 1.00 0.00 O ATOM 401 CB CYS A 9 -7.579 8.764 21.255 1.00 0.00 C ATOM 402 SG CYS A 9 -5.852 9.283 21.514 1.00 0.00 S ATOM 0 H CYS A 9 -8.659 10.088 19.477 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.912 7.902 19.403 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.233 9.620 21.419 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.839 8.016 22.004 1.00 0.00 H new ATOM 407 N SER A 10 -8.173 5.797 19.627 1.00 0.00 N ATOM 408 CA SER A 10 -8.906 4.536 19.699 1.00 0.00 C ATOM 409 C SER A 10 -7.956 3.365 19.915 1.00 0.00 C ATOM 410 O SER A 10 -7.187 3.001 19.025 1.00 0.00 O ATOM 411 CB SER A 10 -9.722 4.314 18.428 1.00 0.00 C ATOM 412 OG SER A 10 -10.357 5.509 18.011 1.00 0.00 O ATOM 0 H SER A 10 -7.215 5.710 19.286 1.00 0.00 H new ATOM 0 HA SER A 10 -9.585 4.594 20.549 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.071 3.949 17.634 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.472 3.543 18.604 1.00 0.00 H new ATOM 0 HG SER A 10 -9.689 6.120 17.635 1.00 0.00 H new ATOM 418 N LYS A 11 -8.020 2.778 21.105 1.00 0.00 N ATOM 419 CA LYS A 11 -7.176 1.642 21.456 1.00 0.00 C ATOM 420 C LYS A 11 -5.686 1.976 21.375 1.00 0.00 C ATOM 421 O LYS A 11 -4.839 1.115 21.615 1.00 0.00 O ATOM 422 CB LYS A 11 -7.498 0.469 20.540 1.00 0.00 C ATOM 423 CG LYS A 11 -6.968 -0.864 21.044 1.00 0.00 C ATOM 424 CD LYS A 11 -7.954 -1.993 20.786 1.00 0.00 C ATOM 425 CE LYS A 11 -8.587 -2.488 22.077 1.00 0.00 C ATOM 426 NZ LYS A 11 -9.818 -1.725 22.420 1.00 0.00 N ATOM 0 H LYS A 11 -8.653 3.073 21.848 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.389 1.379 22.492 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.579 0.398 20.421 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.081 0.666 19.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.021 -1.088 20.553 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.765 -0.795 22.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.733 -1.648 20.107 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.442 -2.818 20.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.831 -3.546 21.979 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.867 -2.401 22.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.219 -2.093 23.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.581 -0.719 22.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.515 -1.829 21.655 1.00 0.00 H new ATOM 440 N THR A 12 -5.367 3.219 21.037 1.00 0.00 N ATOM 441 CA THR A 12 -3.986 3.648 20.929 1.00 0.00 C ATOM 442 C THR A 12 -3.868 5.144 21.211 1.00 0.00 C ATOM 443 O THR A 12 -4.864 5.868 21.185 1.00 0.00 O ATOM 444 CB THR A 12 -3.452 3.291 19.538 1.00 0.00 C ATOM 445 OG1 THR A 12 -2.703 2.090 19.589 1.00 0.00 O ATOM 446 CG2 THR A 12 -2.565 4.352 18.919 1.00 0.00 C ATOM 0 H THR A 12 -6.052 3.947 20.833 1.00 0.00 H new ATOM 0 HA THR A 12 -3.382 3.130 21.674 1.00 0.00 H new ATOM 0 HB THR A 12 -4.342 3.192 18.916 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.148 1.452 20.185 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.231 4.019 17.936 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.126 5.281 18.816 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.699 4.521 19.559 1.00 0.00 H new ATOM 454 N LYS A 13 -2.650 5.605 21.470 1.00 0.00 N ATOM 455 CA LYS A 13 -2.416 7.019 21.744 1.00 0.00 C ATOM 456 C LYS A 13 -2.900 7.875 20.577 1.00 0.00 C ATOM 457 O LYS A 13 -3.330 7.350 19.549 1.00 0.00 O ATOM 458 CB LYS A 13 -0.930 7.274 22.002 1.00 0.00 C ATOM 459 CG LYS A 13 -0.549 7.217 23.473 1.00 0.00 C ATOM 460 CD LYS A 13 -0.058 5.834 23.869 1.00 0.00 C ATOM 461 CE LYS A 13 1.460 5.755 23.854 1.00 0.00 C ATOM 462 NZ LYS A 13 2.023 6.106 22.520 1.00 0.00 N ATOM 0 H LYS A 13 -1.812 5.024 21.496 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.978 7.294 22.636 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.343 6.537 21.454 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.663 8.253 21.604 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.229 7.953 23.677 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.411 7.487 24.084 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.426 5.588 24.865 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.469 5.091 23.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.866 6.430 24.608 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.773 4.747 24.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.050 5.942 22.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.580 5.513 21.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.833 7.108 22.316 1.00 0.00 H new ATOM 476 N CYS A 14 -2.830 9.191 20.737 1.00 0.00 N ATOM 477 CA CYS A 14 -3.264 10.107 19.689 1.00 0.00 C ATOM 478 C CYS A 14 -2.081 10.568 18.840 1.00 0.00 C ATOM 479 O CYS A 14 -2.118 11.643 18.241 1.00 0.00 O ATOM 480 CB CYS A 14 -3.965 11.323 20.299 1.00 0.00 C ATOM 481 SG CYS A 14 -5.747 11.087 20.590 1.00 0.00 S ATOM 0 H CYS A 14 -2.478 9.647 21.579 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.965 9.573 19.048 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.483 11.570 21.245 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.826 12.178 19.638 1.00 0.00 H new ATOM 486 N SER A 15 -1.033 9.751 18.792 1.00 0.00 N ATOM 487 CA SER A 15 0.157 10.080 18.016 1.00 0.00 C ATOM 488 C SER A 15 0.584 8.900 17.148 1.00 0.00 C ATOM 489 O SER A 15 1.084 7.895 17.652 1.00 0.00 O ATOM 490 CB SER A 15 1.302 10.487 18.945 1.00 0.00 C ATOM 491 OG SER A 15 1.539 9.494 19.928 1.00 0.00 O ATOM 0 H SER A 15 -0.984 8.857 19.281 1.00 0.00 H new ATOM 0 HA SER A 15 -0.086 10.918 17.363 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.208 10.649 18.361 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.062 11.433 19.430 1.00 0.00 H new ATOM 0 HG SER A 15 1.470 8.606 19.519 1.00 0.00 H new ATOM 497 N VAL A 16 0.382 9.032 15.842 1.00 0.00 N ATOM 498 CA VAL A 16 0.744 7.980 14.900 1.00 0.00 C ATOM 499 C VAL A 16 2.259 7.823 14.809 1.00 0.00 C ATOM 500 O VAL A 16 3.009 8.704 15.228 1.00 0.00 O ATOM 501 CB VAL A 16 0.183 8.270 13.493 1.00 0.00 C ATOM 502 CG1 VAL A 16 0.282 7.037 12.609 1.00 0.00 C ATOM 503 CG2 VAL A 16 -1.257 8.754 13.578 1.00 0.00 C ATOM 0 H VAL A 16 -0.031 9.859 15.411 1.00 0.00 H new ATOM 0 HA VAL A 16 0.307 7.054 15.274 1.00 0.00 H new ATOM 0 HB VAL A 16 0.784 9.061 13.044 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.119 7.264 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.326 6.739 12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.290 6.223 13.055 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.634 8.953 12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.871 7.988 14.051 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.299 9.669 14.169 1.00 0.00 H new ATOM 513 N ASN A 17 2.702 6.696 14.257 1.00 0.00 N ATOM 514 CA ASN A 17 4.127 6.424 14.108 1.00 0.00 C ATOM 515 C ASN A 17 4.658 7.047 12.821 1.00 0.00 C ATOM 516 O ASN A 17 5.238 6.363 11.976 1.00 0.00 O ATOM 517 CB ASN A 17 4.383 4.915 14.107 1.00 0.00 C ATOM 518 CG ASN A 17 4.181 4.294 15.476 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.331 4.732 16.250 1.00 0.00 O ATOM 520 ND2 ASN A 17 4.965 3.265 15.780 1.00 0.00 N ATOM 0 H ASN A 17 2.093 5.957 13.906 1.00 0.00 H new ATOM 0 HA ASN A 17 4.653 6.869 14.953 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.715 4.436 13.391 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.402 4.722 13.770 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.875 2.805 16.686 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.657 2.935 15.107 1.00 0.00 H new ATOM 527 N TRP A 18 4.447 8.351 12.677 1.00 0.00 N ATOM 528 CA TRP A 18 4.894 9.078 11.494 1.00 0.00 C ATOM 529 C TRP A 18 6.421 9.136 11.404 1.00 0.00 C ATOM 530 O TRP A 18 6.967 9.584 10.398 1.00 0.00 O ATOM 531 CB TRP A 18 4.316 10.495 11.496 1.00 0.00 C ATOM 532 CG TRP A 18 3.244 10.696 10.469 1.00 0.00 C ATOM 533 CD1 TRP A 18 1.968 10.211 10.511 1.00 0.00 C ATOM 534 CD2 TRP A 18 3.354 11.434 9.246 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.278 10.603 9.390 1.00 0.00 N ATOM 536 CE2 TRP A 18 2.106 11.354 8.598 1.00 0.00 C ATOM 537 CE3 TRP A 18 4.384 12.155 8.637 1.00 0.00 C ATOM 538 CZ2 TRP A 18 1.864 11.968 7.372 1.00 0.00 C ATOM 539 CZ3 TRP A 18 4.143 12.763 7.420 1.00 0.00 C ATOM 540 CH2 TRP A 18 2.891 12.667 6.798 1.00 0.00 C ATOM 0 H TRP A 18 3.967 8.928 13.368 1.00 0.00 H new ATOM 0 HA TRP A 18 4.530 8.538 10.620 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.910 10.713 12.484 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.120 11.209 11.317 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.561 9.608 11.309 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.307 10.372 9.181 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.352 12.236 9.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.900 11.895 6.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.933 13.322 6.940 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.733 13.154 5.847 1.00 0.00 H new ATOM 551 N GLY A 19 7.106 8.684 12.454 1.00 0.00 N ATOM 552 CA GLY A 19 8.559 8.698 12.451 1.00 0.00 C ATOM 553 C GLY A 19 9.148 7.309 12.285 1.00 0.00 C ATOM 554 O GLY A 19 9.875 7.039 11.323 1.00 0.00 O ATOM 0 H GLY A 19 6.682 8.310 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.912 9.339 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.918 9.133 13.384 1.00 0.00 H new ATOM 558 N GLN A 20 8.833 6.419 13.219 1.00 0.00 N ATOM 559 CA GLN A 20 9.334 5.053 13.162 1.00 0.00 C ATOM 560 C GLN A 20 8.983 4.415 11.827 1.00 0.00 C ATOM 561 O GLN A 20 9.870 4.058 11.053 1.00 0.00 O ATOM 562 CB GLN A 20 8.764 4.221 14.313 1.00 0.00 C ATOM 563 CG GLN A 20 9.784 3.296 14.956 1.00 0.00 C ATOM 564 CD GLN A 20 9.225 1.913 15.234 1.00 0.00 C ATOM 565 OE1 GLN A 20 8.460 1.719 16.178 1.00 0.00 O ATOM 566 NE2 GLN A 20 9.607 0.944 14.410 1.00 0.00 N ATOM 0 H GLN A 20 8.235 6.619 14.021 1.00 0.00 H new ATOM 0 HA GLN A 20 10.419 5.082 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.364 4.892 15.073 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.929 3.626 13.942 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.652 3.208 14.303 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.131 3.738 15.890 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.243 1.151 13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.264 -0.007 14.547 1.00 0.00 H new ATOM 575 N ALA A 21 7.687 4.276 11.547 1.00 0.00 N ATOM 576 CA ALA A 21 7.264 3.686 10.285 1.00 0.00 C ATOM 577 C ALA A 21 7.657 4.537 9.094 1.00 0.00 C ATOM 578 O ALA A 21 7.480 4.142 7.941 1.00 0.00 O ATOM 579 CB ALA A 21 5.782 3.370 10.273 1.00 0.00 C ATOM 0 H ALA A 21 6.928 4.559 12.166 1.00 0.00 H new ATOM 0 HA ALA A 21 7.798 2.740 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.511 2.932 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.554 2.664 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.213 4.287 10.427 1.00 0.00 H new ATOM 585 N PHE A 22 8.241 5.675 9.381 1.00 0.00 N ATOM 586 CA PHE A 22 8.727 6.562 8.343 1.00 0.00 C ATOM 587 C PHE A 22 9.940 5.898 7.730 1.00 0.00 C ATOM 588 O PHE A 22 10.097 5.832 6.511 1.00 0.00 O ATOM 589 CB PHE A 22 9.100 7.933 8.906 1.00 0.00 C ATOM 590 CG PHE A 22 9.062 9.032 7.883 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.885 9.714 7.619 1.00 0.00 C ATOM 592 CD2 PHE A 22 10.206 9.382 7.184 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.849 10.725 6.677 1.00 0.00 C ATOM 594 CE2 PHE A 22 10.177 10.392 6.241 1.00 0.00 C ATOM 595 CZ PHE A 22 8.997 11.064 5.988 1.00 0.00 C ATOM 0 H PHE A 22 8.394 6.014 10.331 1.00 0.00 H new ATOM 0 HA PHE A 22 7.949 6.731 7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.418 8.181 9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.101 7.881 9.334 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.985 9.453 8.156 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.131 8.860 7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.925 11.249 6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.076 10.655 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.972 11.854 5.252 1.00 0.00 H new ATOM 605 N GLN A 23 10.768 5.356 8.616 1.00 0.00 N ATOM 606 CA GLN A 23 11.953 4.624 8.212 1.00 0.00 C ATOM 607 C GLN A 23 11.531 3.284 7.607 1.00 0.00 C ATOM 608 O GLN A 23 12.261 2.684 6.819 1.00 0.00 O ATOM 609 CB GLN A 23 12.867 4.399 9.420 1.00 0.00 C ATOM 610 CG GLN A 23 14.122 5.258 9.401 1.00 0.00 C ATOM 611 CD GLN A 23 15.367 4.463 9.059 1.00 0.00 C ATOM 612 OE1 GLN A 23 16.424 4.655 9.662 1.00 0.00 O ATOM 613 NE2 GLN A 23 15.249 3.566 8.088 1.00 0.00 N ATOM 0 H GLN A 23 10.635 5.413 9.626 1.00 0.00 H new ATOM 0 HA GLN A 23 12.503 5.199 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.308 4.607 10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.156 3.349 9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.997 6.061 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.251 5.727 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.354 3.441 7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.054 3.002 7.814 1.00 0.00 H new ATOM 622 N GLU A 24 10.331 2.829 7.986 1.00 0.00 N ATOM 623 CA GLU A 24 9.783 1.574 7.493 1.00 0.00 C ATOM 624 C GLU A 24 9.425 1.680 6.015 1.00 0.00 C ATOM 625 O GLU A 24 9.864 0.871 5.198 1.00 0.00 O ATOM 626 CB GLU A 24 8.544 1.178 8.298 1.00 0.00 C ATOM 627 CG GLU A 24 8.867 0.617 9.674 1.00 0.00 C ATOM 628 CD GLU A 24 7.631 0.136 10.411 1.00 0.00 C ATOM 629 OE1 GLU A 24 6.603 -0.112 9.747 1.00 0.00 O ATOM 630 OE2 GLU A 24 7.693 0.007 11.651 1.00 0.00 O ATOM 0 H GLU A 24 9.721 3.321 8.639 1.00 0.00 H new ATOM 0 HA GLU A 24 10.546 0.805 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.901 2.051 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.977 0.436 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.569 -0.211 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.364 1.384 10.268 1.00 0.00 H new ATOM 637 N ARG A 25 8.618 2.684 5.680 1.00 0.00 N ATOM 638 CA ARG A 25 8.192 2.901 4.301 1.00 0.00 C ATOM 639 C ARG A 25 9.391 3.059 3.376 1.00 0.00 C ATOM 640 O ARG A 25 9.335 2.703 2.200 1.00 0.00 O ATOM 641 CB ARG A 25 7.295 4.136 4.211 1.00 0.00 C ATOM 642 CG ARG A 25 5.881 3.900 4.713 1.00 0.00 C ATOM 643 CD ARG A 25 5.075 3.061 3.734 1.00 0.00 C ATOM 644 NE ARG A 25 4.874 3.749 2.460 1.00 0.00 N ATOM 645 CZ ARG A 25 3.945 3.406 1.571 1.00 0.00 C ATOM 646 NH1 ARG A 25 3.128 2.388 1.814 1.00 0.00 N ATOM 647 NH2 ARG A 25 3.831 4.084 0.437 1.00 0.00 N ATOM 0 H ARG A 25 8.246 3.361 6.346 1.00 0.00 H new ATOM 0 HA ARG A 25 7.627 2.026 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.746 4.944 4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.252 4.469 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.916 3.399 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.384 4.858 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.588 2.116 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.107 2.821 4.173 1.00 0.00 H new ATOM 0 HE ARG A 25 5.481 4.538 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.211 1.865 2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.418 2.129 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.455 4.868 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.119 3.822 -0.245 1.00 0.00 H new ATOM 661 N TYR A 26 10.476 3.593 3.919 1.00 0.00 N ATOM 662 CA TYR A 26 11.694 3.797 3.148 1.00 0.00 C ATOM 663 C TYR A 26 12.280 2.460 2.708 1.00 0.00 C ATOM 664 O TYR A 26 12.572 2.256 1.530 1.00 0.00 O ATOM 665 CB TYR A 26 12.724 4.572 3.973 1.00 0.00 C ATOM 666 CG TYR A 26 13.722 5.338 3.133 1.00 0.00 C ATOM 667 CD1 TYR A 26 13.327 6.433 2.376 1.00 0.00 C ATOM 668 CD2 TYR A 26 15.060 4.965 3.098 1.00 0.00 C ATOM 669 CE1 TYR A 26 14.236 7.135 1.607 1.00 0.00 C ATOM 670 CE2 TYR A 26 15.975 5.662 2.332 1.00 0.00 C ATOM 671 CZ TYR A 26 15.558 6.745 1.589 1.00 0.00 C ATOM 672 OH TYR A 26 16.467 7.442 0.825 1.00 0.00 O ATOM 0 H TYR A 26 10.538 3.893 4.892 1.00 0.00 H new ATOM 0 HA TYR A 26 11.443 4.378 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.202 5.270 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.262 3.874 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.292 6.741 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.390 4.117 3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 26 13.912 7.984 1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.012 5.359 2.316 1.00 0.00 H new ATOM 0 HH TYR A 26 17.355 7.039 0.924 1.00 0.00 H new ATOM 682 N THR A 27 12.442 1.551 3.663 1.00 0.00 N ATOM 683 CA THR A 27 12.985 0.230 3.376 1.00 0.00 C ATOM 684 C THR A 27 11.957 -0.627 2.644 1.00 0.00 C ATOM 685 O THR A 27 12.311 -1.473 1.822 1.00 0.00 O ATOM 686 CB THR A 27 13.413 -0.461 4.672 1.00 0.00 C ATOM 687 OG1 THR A 27 14.305 0.357 5.406 1.00 0.00 O ATOM 688 CG2 THR A 27 14.094 -1.794 4.444 1.00 0.00 C ATOM 0 H THR A 27 12.205 1.706 4.643 1.00 0.00 H new ATOM 0 HA THR A 27 13.857 0.351 2.734 1.00 0.00 H new ATOM 0 HB THR A 27 12.490 -0.633 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.565 -0.102 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.371 -2.230 5.404 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.412 -2.467 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.989 -1.647 3.840 1.00 0.00 H new ATOM 696 N ALA A 28 10.684 -0.399 2.948 1.00 0.00 N ATOM 697 CA ALA A 28 9.602 -1.146 2.319 1.00 0.00 C ATOM 698 C ALA A 28 9.595 -0.934 0.810 1.00 0.00 C ATOM 699 O ALA A 28 9.470 -1.886 0.040 1.00 0.00 O ATOM 700 CB ALA A 28 8.263 -0.738 2.918 1.00 0.00 C ATOM 0 H ALA A 28 10.376 0.298 3.627 1.00 0.00 H new ATOM 0 HA ALA A 28 9.765 -2.207 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.463 -1.303 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.265 -0.946 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.101 0.328 2.756 1.00 0.00 H new ATOM 706 N GLY A 29 9.733 0.320 0.392 1.00 0.00 N ATOM 707 CA GLY A 29 9.743 0.633 -1.024 1.00 0.00 C ATOM 708 C GLY A 29 10.945 0.042 -1.732 1.00 0.00 C ATOM 709 O GLY A 29 10.803 -0.661 -2.732 1.00 0.00 O ATOM 0 H GLY A 29 9.838 1.125 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.830 0.255 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.742 1.715 -1.155 1.00 0.00 H new ATOM 713 N ILE A 30 12.132 0.324 -1.206 1.00 0.00 N ATOM 714 CA ILE A 30 13.367 -0.187 -1.784 1.00 0.00 C ATOM 715 C ILE A 30 13.403 -1.712 -1.729 1.00 0.00 C ATOM 716 O ILE A 30 14.014 -2.359 -2.580 1.00 0.00 O ATOM 717 CB ILE A 30 14.600 0.380 -1.054 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.524 1.909 -1.000 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.883 -0.068 -1.740 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.749 2.556 -0.391 1.00 0.00 C ATOM 0 H ILE A 30 12.264 0.905 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 30 13.395 0.135 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 30 14.608 -0.005 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.385 2.293 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.645 2.201 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.742 0.343 -1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.939 -1.157 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.888 0.288 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.624 3.639 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.878 2.201 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.629 2.295 -0.979 1.00 0.00 H new ATOM 732 N ASN A 31 12.740 -2.278 -0.726 1.00 0.00 N ATOM 733 CA ASN A 31 12.688 -3.728 -0.559 1.00 0.00 C ATOM 734 C ASN A 31 12.177 -4.401 -1.829 1.00 0.00 C ATOM 735 O ASN A 31 12.914 -5.124 -2.498 1.00 0.00 O ATOM 736 CB ASN A 31 11.792 -4.094 0.626 1.00 0.00 C ATOM 737 CG ASN A 31 12.584 -4.587 1.821 1.00 0.00 C ATOM 738 OD1 ASN A 31 13.390 -3.852 2.393 1.00 0.00 O ATOM 739 ND2 ASN A 31 12.360 -5.839 2.205 1.00 0.00 N ATOM 0 H ASN A 31 12.230 -1.754 -0.015 1.00 0.00 H new ATOM 0 HA ASN A 31 13.699 -4.085 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.206 -3.222 0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.086 -4.865 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.865 -6.226 3.002 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.683 -6.413 1.702 1.00 0.00 H new ATOM 746 N SER A 32 10.913 -4.150 -2.160 1.00 0.00 N ATOM 747 CA SER A 32 10.311 -4.726 -3.358 1.00 0.00 C ATOM 748 C SER A 32 11.132 -4.366 -4.591 1.00 0.00 C ATOM 749 O SER A 32 11.216 -5.138 -5.547 1.00 0.00 O ATOM 750 CB SER A 32 8.873 -4.234 -3.523 1.00 0.00 C ATOM 751 OG SER A 32 8.120 -5.120 -4.334 1.00 0.00 O ATOM 0 H SER A 32 10.288 -3.554 -1.617 1.00 0.00 H new ATOM 0 HA SER A 32 10.299 -5.810 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.402 -4.143 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.875 -3.240 -3.970 1.00 0.00 H new ATOM 0 HG SER A 32 7.204 -4.784 -4.423 1.00 0.00 H new ATOM 757 N PHE A 33 11.743 -3.186 -4.554 1.00 0.00 N ATOM 758 CA PHE A 33 12.568 -2.714 -5.656 1.00 0.00 C ATOM 759 C PHE A 33 13.782 -3.626 -5.837 1.00 0.00 C ATOM 760 O PHE A 33 13.966 -4.234 -6.893 1.00 0.00 O ATOM 761 CB PHE A 33 13.004 -1.264 -5.397 1.00 0.00 C ATOM 762 CG PHE A 33 14.351 -0.906 -5.964 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.541 -0.812 -7.333 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.424 -0.665 -5.122 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.778 -0.484 -7.852 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.664 -0.337 -5.635 1.00 0.00 C ATOM 767 CZ PHE A 33 16.842 -0.245 -7.002 1.00 0.00 C ATOM 0 H PHE A 33 11.681 -2.538 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 33 11.985 -2.740 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.256 -0.592 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.019 -1.089 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.713 -0.997 -8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.290 -0.734 -4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.914 -0.414 -8.921 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.493 -0.153 -4.968 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.810 0.013 -7.406 1.00 0.00 H new ATOM 777 N VAL A 34 14.602 -3.723 -4.792 1.00 0.00 N ATOM 778 CA VAL A 34 15.790 -4.566 -4.834 1.00 0.00 C ATOM 779 C VAL A 34 15.425 -5.992 -5.219 1.00 0.00 C ATOM 780 O VAL A 34 15.776 -6.455 -6.297 1.00 0.00 O ATOM 781 CB VAL A 34 16.526 -4.580 -3.479 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.833 -5.353 -3.588 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.775 -3.161 -2.987 1.00 0.00 C ATOM 0 H VAL A 34 14.464 -3.229 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 34 16.455 -4.143 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 34 15.892 -5.084 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 34 18.338 -5.352 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.624 -6.380 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.474 -4.881 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.295 -3.194 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.386 -2.626 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.822 -2.646 -2.865 1.00 0.00 H new ATOM 793 N SER A 35 14.727 -6.690 -4.330 1.00 0.00 N ATOM 794 CA SER A 35 14.338 -8.061 -4.575 1.00 0.00 C ATOM 795 C SER A 35 13.718 -8.244 -5.935 1.00 0.00 C ATOM 796 O SER A 35 14.205 -9.049 -6.727 1.00 0.00 O ATOM 797 CB SER A 35 13.362 -8.536 -3.492 1.00 0.00 C ATOM 798 OG SER A 35 12.954 -9.874 -3.715 1.00 0.00 O ATOM 0 H SER A 35 14.421 -6.320 -3.430 1.00 0.00 H new ATOM 0 HA SER A 35 15.246 -8.663 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.835 -8.457 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.488 -7.885 -3.477 1.00 0.00 H new ATOM 0 HG SER A 35 13.422 -10.467 -3.091 1.00 0.00 H new ATOM 804 N GLY A 36 12.671 -7.497 -6.227 1.00 0.00 N ATOM 805 CA GLY A 36 12.058 -7.617 -7.536 1.00 0.00 C ATOM 806 C GLY A 36 13.121 -7.915 -8.571 1.00 0.00 C ATOM 807 O GLY A 36 12.979 -8.814 -9.399 1.00 0.00 O ATOM 0 H GLY A 36 12.238 -6.821 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.312 -8.412 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.537 -6.694 -7.791 1.00 0.00 H new ATOM 811 N VAL A 37 14.215 -7.163 -8.476 1.00 0.00 N ATOM 812 CA VAL A 37 15.354 -7.331 -9.345 1.00 0.00 C ATOM 813 C VAL A 37 16.390 -8.300 -8.765 1.00 0.00 C ATOM 814 O VAL A 37 16.617 -9.386 -9.298 1.00 0.00 O ATOM 815 CB VAL A 37 16.035 -5.976 -9.630 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.177 -6.143 -10.622 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.018 -4.969 -10.144 1.00 0.00 C ATOM 0 H VAL A 37 14.327 -6.419 -7.787 1.00 0.00 H new ATOM 0 HA VAL A 37 14.972 -7.754 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 37 16.452 -5.598 -8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.642 -5.175 -10.808 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.918 -6.829 -10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.790 -6.545 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.514 -4.019 -10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.571 -5.342 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.239 -4.824 -9.395 1.00 0.00 H new ATOM 827 N ALA A 38 17.049 -7.856 -7.690 1.00 0.00 N ATOM 828 CA ALA A 38 18.104 -8.613 -7.037 1.00 0.00 C ATOM 829 C ALA A 38 17.611 -9.655 -6.045 1.00 0.00 C ATOM 830 O ALA A 38 17.681 -10.860 -6.283 1.00 0.00 O ATOM 831 CB ALA A 38 19.061 -7.658 -6.332 1.00 0.00 C ATOM 0 H ALA A 38 16.859 -6.955 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 38 18.608 -9.164 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.851 -8.229 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.502 -6.980 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.515 -7.081 -5.585 1.00 0.00 H new ATOM 837 N SER A 39 17.177 -9.150 -4.899 1.00 0.00 N ATOM 838 CA SER A 39 16.730 -9.968 -3.784 1.00 0.00 C ATOM 839 C SER A 39 15.464 -10.785 -4.077 1.00 0.00 C ATOM 840 O SER A 39 14.856 -11.336 -3.159 1.00 0.00 O ATOM 841 CB SER A 39 16.537 -9.061 -2.575 1.00 0.00 C ATOM 842 OG SER A 39 17.050 -9.660 -1.397 1.00 0.00 O ATOM 0 H SER A 39 17.125 -8.148 -4.717 1.00 0.00 H new ATOM 0 HA SER A 39 17.499 -10.715 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 17.037 -8.108 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.477 -8.846 -2.444 1.00 0.00 H new ATOM 0 HG SER A 39 16.914 -9.056 -0.637 1.00 0.00 H new ATOM 848 N GLY A 40 15.072 -10.868 -5.348 1.00 0.00 N ATOM 849 CA GLY A 40 13.889 -11.630 -5.707 1.00 0.00 C ATOM 850 C GLY A 40 14.218 -13.046 -6.132 1.00 0.00 C ATOM 851 O GLY A 40 13.475 -13.662 -6.897 1.00 0.00 O ATOM 0 H GLY A 40 15.551 -10.423 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.207 -11.658 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.366 -11.123 -6.518 1.00 0.00 H new ATOM 855 N ALA A 41 15.335 -13.564 -5.632 1.00 0.00 N ATOM 856 CA ALA A 41 15.765 -14.915 -5.958 1.00 0.00 C ATOM 857 C ALA A 41 16.925 -15.350 -5.069 1.00 0.00 C ATOM 858 O ALA A 41 17.810 -16.088 -5.502 1.00 0.00 O ATOM 859 CB ALA A 41 16.157 -15.005 -7.426 1.00 0.00 C ATOM 0 H ALA A 41 15.959 -13.065 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 41 14.929 -15.591 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.477 -16.021 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.301 -14.745 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.975 -14.313 -7.627 1.00 0.00 H new ATOM 865 N GLY A 42 16.913 -14.888 -3.823 1.00 0.00 N ATOM 866 CA GLY A 42 17.969 -15.239 -2.890 1.00 0.00 C ATOM 867 C GLY A 42 17.798 -16.628 -2.299 1.00 0.00 C ATOM 868 O GLY A 42 18.630 -17.078 -1.512 1.00 0.00 O ATOM 0 H GLY A 42 16.191 -14.277 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.931 -15.182 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.992 -14.507 -2.083 1.00 0.00 H new ATOM 872 N SER A 43 16.720 -17.311 -2.679 1.00 0.00 N ATOM 873 CA SER A 43 16.453 -18.654 -2.178 1.00 0.00 C ATOM 874 C SER A 43 16.767 -19.704 -3.240 1.00 0.00 C ATOM 875 O SER A 43 16.241 -20.816 -3.199 1.00 0.00 O ATOM 876 CB SER A 43 14.992 -18.775 -1.743 1.00 0.00 C ATOM 877 OG SER A 43 14.130 -18.863 -2.865 1.00 0.00 O ATOM 0 H SER A 43 16.020 -16.956 -3.331 1.00 0.00 H new ATOM 0 HA SER A 43 17.099 -18.829 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.868 -19.658 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.717 -17.912 -1.137 1.00 0.00 H new ATOM 0 HG SER A 43 13.202 -18.941 -2.559 1.00 0.00 H new ATOM 883 N ILE A 44 17.627 -19.346 -4.189 1.00 0.00 N ATOM 884 CA ILE A 44 18.009 -20.261 -5.256 1.00 0.00 C ATOM 885 C ILE A 44 19.427 -20.785 -5.043 1.00 0.00 C ATOM 886 O ILE A 44 20.196 -20.937 -5.991 1.00 0.00 O ATOM 887 CB ILE A 44 17.908 -19.586 -6.641 1.00 0.00 C ATOM 888 CG1 ILE A 44 18.078 -20.623 -7.752 1.00 0.00 C ATOM 889 CG2 ILE A 44 18.941 -18.476 -6.776 1.00 0.00 C ATOM 890 CD1 ILE A 44 16.768 -21.083 -8.353 1.00 0.00 C ATOM 0 H ILE A 44 18.071 -18.429 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 44 17.312 -21.098 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 44 16.918 -19.139 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.702 -20.201 -8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.609 -21.487 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.852 -18.014 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.770 -17.724 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.941 -18.894 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.964 -21.818 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.150 -21.535 -7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.244 -20.228 -8.782 1.00 0.00 H new ATOM 902 N GLY A 45 19.762 -21.057 -3.787 1.00 0.00 N ATOM 903 CA GLY A 45 21.083 -21.563 -3.464 1.00 0.00 C ATOM 904 C GLY A 45 21.332 -22.942 -4.041 1.00 0.00 C ATOM 905 O GLY A 45 21.933 -23.078 -5.108 1.00 0.00 O ATOM 0 H GLY A 45 19.142 -20.936 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.836 -20.872 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.200 -21.599 -2.381 1.00 0.00 H new ATOM 909 N ARG A 46 20.870 -23.969 -3.336 1.00 0.00 N ATOM 910 CA ARG A 46 21.043 -25.346 -3.783 1.00 0.00 C ATOM 911 C ARG A 46 20.285 -26.311 -2.879 1.00 0.00 C ATOM 912 O ARG A 46 19.777 -27.328 -3.394 1.00 0.00 O ATOM 913 CB ARG A 46 22.528 -25.714 -3.812 1.00 0.00 C ATOM 914 CG ARG A 46 23.199 -25.644 -2.449 1.00 0.00 C ATOM 915 CD ARG A 46 24.147 -26.814 -2.232 1.00 0.00 C ATOM 916 NE ARG A 46 25.292 -26.444 -1.405 1.00 0.00 N ATOM 917 CZ ARG A 46 26.395 -27.181 -1.293 1.00 0.00 C ATOM 918 NH1 ARG A 46 26.506 -28.327 -1.953 1.00 0.00 N ATOM 919 NH2 ARG A 46 27.390 -26.772 -0.518 1.00 0.00 N ATOM 920 OXT ARG A 46 20.205 -26.041 -1.662 1.00 0.00 O ATOM 0 H ARG A 46 20.372 -23.873 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 46 20.637 -25.427 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.636 -26.723 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.047 -25.044 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.750 -24.707 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 22.439 -25.641 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.608 -27.634 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.499 -27.179 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 46 25.244 -25.569 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.744 -28.648 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 27.354 -28.887 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.310 -25.893 -0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 46 28.235 -27.337 -0.432 1.00 0.00 H new TER 934 ARG A 46