USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 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 :FLIP amide:sc= 0.978 F(o=-0.51,f=0.98) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 8 SER OG : rot 12:sc= 0.0833 USER MOD Single : A -3 HIS : no HD1:sc= -0.0359 K(o=-0.036,f=-0.75) USER MOD Single : A -5 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.0071) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -5:sc= 0.0308 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.0817 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.542 K(o=0.54,f=-7.8!) USER MOD Single : A 20 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.5!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,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= 0 K(o=0,f=-0.59) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -4.34! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -43:sc= 1.07 USER MOD Single : A -11 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.2) USER MOD Single : A -14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0634) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 133:sc= -0.0402 (180deg=-0.716) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -7.712 -14.885 54.670 1.00 0.00 N ATOM 2 CA MET A -18 -6.748 -15.631 53.818 1.00 0.00 C ATOM 3 C MET A -18 -6.309 -14.794 52.622 1.00 0.00 C ATOM 4 O MET A -18 -6.891 -13.748 52.335 1.00 0.00 O ATOM 5 CB MET A -18 -7.415 -16.924 53.342 1.00 0.00 C ATOM 6 CG MET A -18 -8.668 -16.691 52.512 1.00 0.00 C ATOM 7 SD MET A -18 -8.426 -17.063 50.763 1.00 0.00 S ATOM 8 CE MET A -18 -9.525 -18.462 50.558 1.00 0.00 C ATOM 0 H1 MET A -18 -8.520 -15.498 54.899 1.00 0.00 H new ATOM 0 H2 MET A -18 -7.242 -14.590 55.549 1.00 0.00 H new ATOM 0 H3 MET A -18 -8.049 -14.044 54.159 1.00 0.00 H new ATOM 0 HA MET A -18 -5.857 -15.862 54.403 1.00 0.00 H new ATOM 0 HB2 MET A -18 -6.699 -17.497 52.752 1.00 0.00 H new ATOM 0 HB3 MET A -18 -7.671 -17.532 54.210 1.00 0.00 H new ATOM 0 HG2 MET A -18 -9.477 -17.309 52.902 1.00 0.00 H new ATOM 0 HG3 MET A -18 -8.981 -15.652 52.618 1.00 0.00 H new ATOM 0 HE1 MET A -18 -9.486 -18.807 49.525 1.00 0.00 H new ATOM 0 HE2 MET A -18 -9.215 -19.269 51.222 1.00 0.00 H new ATOM 0 HE3 MET A -18 -10.544 -18.163 50.803 1.00 0.00 H new ATOM 20 N ASN A -17 -5.276 -15.260 51.927 1.00 0.00 N ATOM 21 CA ASN A -17 -4.757 -14.555 50.761 1.00 0.00 C ATOM 22 C ASN A -17 -5.480 -14.995 49.492 1.00 0.00 C ATOM 23 O ASN A -17 -5.189 -16.053 48.935 1.00 0.00 O ATOM 24 CB ASN A -17 -3.254 -14.801 50.617 1.00 0.00 C ATOM 25 CG ASN A -17 -2.501 -14.543 51.907 1.00 0.00 C ATOM 26 OD1 ASN A -17 -2.267 -13.395 52.284 1.00 0.00 O ATOM 27 ND2 ASN A -17 -2.117 -15.614 52.592 1.00 0.00 N ATOM 0 H ASN A -17 -4.782 -16.124 52.152 1.00 0.00 H new ATOM 0 HA ASN A -17 -4.931 -13.489 50.905 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -3.086 -15.830 50.301 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -2.857 -14.157 49.832 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -1.607 -15.503 53.468 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -2.333 -16.548 52.242 1.00 0.00 H new ATOM 34 N SER A -16 -6.426 -14.178 49.043 1.00 0.00 N ATOM 35 CA SER A -16 -7.193 -14.484 47.841 1.00 0.00 C ATOM 36 C SER A -16 -6.351 -14.271 46.587 1.00 0.00 C ATOM 37 O SER A -16 -5.609 -13.292 46.482 1.00 0.00 O ATOM 38 CB SER A -16 -8.451 -13.615 47.778 1.00 0.00 C ATOM 39 OG SER A -16 -9.371 -13.975 48.793 1.00 0.00 O ATOM 0 H SER A -16 -6.680 -13.299 49.493 1.00 0.00 H new ATOM 0 HA SER A -16 -7.486 -15.533 47.886 1.00 0.00 H new ATOM 0 HB2 SER A -16 -8.177 -12.565 47.886 1.00 0.00 H new ATOM 0 HB3 SER A -16 -8.922 -13.722 46.801 1.00 0.00 H new ATOM 0 HG SER A -16 -10.165 -13.404 48.732 1.00 0.00 H new ATOM 45 N VAL A -15 -6.481 -15.184 45.631 1.00 0.00 N ATOM 46 CA VAL A -15 -5.733 -15.093 44.385 1.00 0.00 C ATOM 47 C VAL A -15 -6.568 -14.422 43.306 1.00 0.00 C ATOM 48 O VAL A -15 -6.034 -13.844 42.361 1.00 0.00 O ATOM 49 CB VAL A -15 -5.288 -16.482 43.890 1.00 0.00 C ATOM 50 CG1 VAL A -15 -4.337 -16.352 42.711 1.00 0.00 C ATOM 51 CG2 VAL A -15 -4.645 -17.270 45.021 1.00 0.00 C ATOM 0 H VAL A -15 -7.097 -15.994 45.696 1.00 0.00 H new ATOM 0 HA VAL A -15 -4.845 -14.493 44.586 1.00 0.00 H new ATOM 0 HB VAL A -15 -6.170 -17.027 43.554 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -4.034 -17.344 42.376 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -4.838 -15.831 41.895 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -3.456 -15.787 43.015 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -4.337 -18.249 44.653 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -3.773 -16.730 45.391 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -5.364 -17.397 45.831 1.00 0.00 H new ATOM 61 N LYS A -14 -7.883 -14.470 43.475 1.00 0.00 N ATOM 62 CA LYS A -14 -8.789 -13.833 42.536 1.00 0.00 C ATOM 63 C LYS A -14 -8.874 -12.346 42.856 1.00 0.00 C ATOM 64 O LYS A -14 -9.031 -11.512 41.965 1.00 0.00 O ATOM 65 CB LYS A -14 -10.177 -14.472 42.606 1.00 0.00 C ATOM 66 CG LYS A -14 -10.897 -14.514 41.268 1.00 0.00 C ATOM 67 CD LYS A -14 -11.604 -13.201 40.974 1.00 0.00 C ATOM 68 CE LYS A -14 -12.858 -13.041 41.818 1.00 0.00 C ATOM 69 NZ LYS A -14 -13.961 -13.924 41.349 1.00 0.00 N ATOM 0 H LYS A -14 -8.343 -14.943 44.253 1.00 0.00 H new ATOM 0 HA LYS A -14 -8.408 -13.967 41.523 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -10.081 -15.488 42.989 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -10.787 -13.918 43.320 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -10.181 -14.728 40.475 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -11.623 -15.327 41.270 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -10.926 -12.370 41.168 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -11.868 -13.157 39.917 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -12.627 -13.271 42.858 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -13.187 -12.002 41.786 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -14.843 -13.666 41.836 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -14.086 -13.809 40.323 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -13.726 -14.915 41.560 1.00 0.00 H new ATOM 83 N GLU A -13 -8.743 -12.026 44.142 1.00 0.00 N ATOM 84 CA GLU A -13 -8.779 -10.648 44.593 1.00 0.00 C ATOM 85 C GLU A -13 -7.458 -9.967 44.277 1.00 0.00 C ATOM 86 O GLU A -13 -7.425 -8.827 43.814 1.00 0.00 O ATOM 87 CB GLU A -13 -9.064 -10.580 46.095 1.00 0.00 C ATOM 88 CG GLU A -13 -9.512 -9.206 46.567 1.00 0.00 C ATOM 89 CD GLU A -13 -8.377 -8.393 47.158 1.00 0.00 C ATOM 90 OE1 GLU A -13 -7.415 -9.003 47.672 1.00 0.00 O ATOM 91 OE2 GLU A -13 -8.450 -7.147 47.108 1.00 0.00 O ATOM 0 H GLU A -13 -8.611 -12.709 44.888 1.00 0.00 H new ATOM 0 HA GLU A -13 -9.582 -10.129 44.069 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -9.835 -11.310 46.344 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -8.165 -10.867 46.640 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -9.945 -8.661 45.728 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -10.298 -9.321 47.313 1.00 0.00 H new ATOM 98 N LEU A -12 -6.371 -10.687 44.520 1.00 0.00 N ATOM 99 CA LEU A -12 -5.037 -10.165 44.250 1.00 0.00 C ATOM 100 C LEU A -12 -4.791 -10.070 42.747 1.00 0.00 C ATOM 101 O LEU A -12 -3.969 -9.275 42.290 1.00 0.00 O ATOM 102 CB LEU A -12 -3.971 -11.049 44.902 1.00 0.00 C ATOM 103 CG LEU A -12 -3.255 -10.422 46.099 1.00 0.00 C ATOM 104 CD1 LEU A -12 -2.444 -9.212 45.660 1.00 0.00 C ATOM 105 CD2 LEU A -12 -4.256 -10.035 47.176 1.00 0.00 C ATOM 0 H LEU A -12 -6.386 -11.632 44.903 1.00 0.00 H new ATOM 0 HA LEU A -12 -4.971 -9.165 44.678 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -4.439 -11.979 45.224 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -3.227 -11.311 44.149 1.00 0.00 H new ATOM 0 HG LEU A -12 -2.571 -11.160 46.518 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -1.941 -8.778 46.524 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -1.701 -9.520 44.924 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -3.108 -8.470 45.217 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -3.729 -9.590 48.020 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -4.966 -9.314 46.771 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -4.792 -10.923 47.510 1.00 0.00 H new ATOM 117 N ASN A -11 -5.509 -10.886 41.983 1.00 0.00 N ATOM 118 CA ASN A -11 -5.369 -10.895 40.533 1.00 0.00 C ATOM 119 C ASN A -11 -5.980 -9.640 39.921 1.00 0.00 C ATOM 120 O ASN A -11 -5.540 -9.168 38.874 1.00 0.00 O ATOM 121 CB ASN A -11 -6.029 -12.143 39.941 1.00 0.00 C ATOM 122 CG ASN A -11 -5.018 -13.214 39.578 1.00 0.00 C ATOM 123 OD1 ASN A -11 -3.895 -13.220 40.082 1.00 0.00 O ATOM 124 ND2 ASN A -11 -5.414 -14.126 38.698 1.00 0.00 N ATOM 0 H ASN A -11 -6.194 -11.550 42.345 1.00 0.00 H new ATOM 0 HA ASN A -11 -4.305 -10.911 40.296 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -6.742 -12.549 40.658 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -6.595 -11.865 39.052 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -4.778 -14.871 38.414 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -6.355 -14.082 38.306 1.00 0.00 H new ATOM 131 N VAL A -10 -6.995 -9.107 40.585 1.00 0.00 N ATOM 132 CA VAL A -10 -7.674 -7.905 40.116 1.00 0.00 C ATOM 133 C VAL A -10 -6.819 -6.664 40.357 1.00 0.00 C ATOM 134 O VAL A -10 -6.711 -5.796 39.491 1.00 0.00 O ATOM 135 CB VAL A -10 -9.037 -7.720 40.811 1.00 0.00 C ATOM 136 CG1 VAL A -10 -9.795 -6.550 40.202 1.00 0.00 C ATOM 137 CG2 VAL A -10 -9.859 -8.998 40.728 1.00 0.00 C ATOM 0 H VAL A -10 -7.369 -9.489 41.454 1.00 0.00 H new ATOM 0 HA VAL A -10 -7.837 -8.030 39.046 1.00 0.00 H new ATOM 0 HB VAL A -10 -8.858 -7.498 41.863 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -10.755 -6.436 40.706 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -9.212 -5.637 40.321 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -9.963 -6.738 39.141 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -10.818 -8.847 41.224 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -10.028 -9.254 39.682 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -9.321 -9.809 41.218 1.00 0.00 H new ATOM 147 N LYS A -9 -6.214 -6.588 41.538 1.00 0.00 N ATOM 148 CA LYS A -9 -5.370 -5.453 41.893 1.00 0.00 C ATOM 149 C LYS A -9 -4.213 -5.306 40.910 1.00 0.00 C ATOM 150 O LYS A -9 -3.773 -4.196 40.616 1.00 0.00 O ATOM 151 CB LYS A -9 -4.826 -5.619 43.315 1.00 0.00 C ATOM 152 CG LYS A -9 -5.911 -5.710 44.376 1.00 0.00 C ATOM 153 CD LYS A -9 -6.840 -4.508 44.329 1.00 0.00 C ATOM 154 CE LYS A -9 -7.946 -4.618 45.366 1.00 0.00 C ATOM 155 NZ LYS A -9 -9.215 -5.126 44.773 1.00 0.00 N ATOM 0 H LYS A -9 -6.293 -7.299 42.265 1.00 0.00 H new ATOM 0 HA LYS A -9 -5.980 -4.551 41.847 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -4.212 -6.519 43.357 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -4.174 -4.777 43.546 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -6.488 -6.623 44.230 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -5.452 -5.778 45.362 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -6.267 -3.597 44.502 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -7.279 -4.425 43.335 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -7.627 -5.285 46.167 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -8.121 -3.640 45.815 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -9.944 -5.187 45.512 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -9.533 -4.477 44.025 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -9.055 -6.070 44.367 1.00 0.00 H new ATOM 169 N GLU A -8 -3.727 -6.435 40.403 1.00 0.00 N ATOM 170 CA GLU A -8 -2.622 -6.431 39.451 1.00 0.00 C ATOM 171 C GLU A -8 -2.984 -5.644 38.201 1.00 0.00 C ATOM 172 O GLU A -8 -2.432 -4.575 37.941 1.00 0.00 O ATOM 173 CB GLU A -8 -2.239 -7.865 39.076 1.00 0.00 C ATOM 174 CG GLU A -8 -0.752 -8.050 38.819 1.00 0.00 C ATOM 175 CD GLU A -8 0.051 -8.173 40.100 1.00 0.00 C ATOM 176 OE1 GLU A -8 0.234 -7.146 40.787 1.00 0.00 O ATOM 177 OE2 GLU A -8 0.497 -9.296 40.415 1.00 0.00 O ATOM 0 H GLU A -8 -4.081 -7.363 40.635 1.00 0.00 H new ATOM 0 HA GLU A -8 -1.768 -5.948 39.925 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -2.547 -8.536 39.878 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -2.793 -8.159 38.184 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -0.600 -8.943 38.212 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -0.379 -7.205 38.241 1.00 0.00 H new ATOM 184 N MET A -7 -3.916 -6.185 37.438 1.00 0.00 N ATOM 185 CA MET A -7 -4.371 -5.549 36.207 1.00 0.00 C ATOM 186 C MET A -7 -4.961 -4.170 36.491 1.00 0.00 C ATOM 187 O MET A -7 -4.950 -3.288 35.627 1.00 0.00 O ATOM 188 CB MET A -7 -5.412 -6.427 35.511 1.00 0.00 C ATOM 189 CG MET A -7 -6.589 -6.794 36.399 1.00 0.00 C ATOM 190 SD MET A -7 -8.128 -6.968 35.474 1.00 0.00 S ATOM 191 CE MET A -7 -8.787 -5.308 35.598 1.00 0.00 C ATOM 0 H MET A -7 -4.378 -7.070 37.648 1.00 0.00 H new ATOM 0 HA MET A -7 -3.509 -5.427 35.551 1.00 0.00 H new ATOM 0 HB2 MET A -7 -5.782 -5.906 34.628 1.00 0.00 H new ATOM 0 HB3 MET A -7 -4.931 -7.341 35.164 1.00 0.00 H new ATOM 0 HG2 MET A -7 -6.372 -7.729 36.915 1.00 0.00 H new ATOM 0 HG3 MET A -7 -6.714 -6.029 37.165 1.00 0.00 H new ATOM 0 HE1 MET A -7 -9.741 -5.255 35.073 1.00 0.00 H new ATOM 0 HE2 MET A -7 -8.936 -5.053 36.647 1.00 0.00 H new ATOM 0 HE3 MET A -7 -8.086 -4.604 35.149 1.00 0.00 H new ATOM 201 N LYS A -6 -5.478 -3.991 37.704 1.00 0.00 N ATOM 202 CA LYS A -6 -6.078 -2.723 38.105 1.00 0.00 C ATOM 203 C LYS A -6 -5.112 -1.563 37.880 1.00 0.00 C ATOM 204 O LYS A -6 -5.369 -0.683 37.057 1.00 0.00 O ATOM 205 CB LYS A -6 -6.498 -2.776 39.577 1.00 0.00 C ATOM 206 CG LYS A -6 -7.997 -2.948 39.777 1.00 0.00 C ATOM 207 CD LYS A -6 -8.591 -1.808 40.591 1.00 0.00 C ATOM 208 CE LYS A -6 -8.907 -2.242 42.014 1.00 0.00 C ATOM 209 NZ LYS A -6 -8.418 -1.256 43.017 1.00 0.00 N ATOM 0 H LYS A -6 -5.493 -4.710 38.427 1.00 0.00 H new ATOM 0 HA LYS A -6 -6.961 -2.558 37.487 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -5.978 -3.600 40.065 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -6.177 -1.859 40.071 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -8.490 -2.997 38.806 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -8.191 -3.895 40.281 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -7.892 -0.972 40.612 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -9.501 -1.451 40.108 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -9.984 -2.368 42.124 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -8.451 -3.213 42.207 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -8.653 -1.589 43.974 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -7.387 -1.154 42.929 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -8.872 -0.336 42.849 1.00 0.00 H new ATOM 223 N GLN A -5 -4.002 -1.566 38.612 1.00 0.00 N ATOM 224 CA GLN A -5 -3.006 -0.512 38.484 1.00 0.00 C ATOM 225 C GLN A -5 -2.027 -0.798 37.348 1.00 0.00 C ATOM 226 O GLN A -5 -0.948 -0.209 37.280 1.00 0.00 O ATOM 227 CB GLN A -5 -2.235 -0.385 39.787 1.00 0.00 C ATOM 228 CG GLN A -5 -2.486 0.920 40.526 1.00 0.00 C ATOM 229 CD GLN A -5 -3.833 0.946 41.222 1.00 0.00 C ATOM 230 OE1 GLN A -5 -4.636 1.855 41.012 1.00 0.00 O ATOM 231 NE2 GLN A -5 -4.086 -0.054 42.057 1.00 0.00 N ATOM 0 H GLN A -5 -3.772 -2.285 39.298 1.00 0.00 H new ATOM 0 HA GLN A -5 -3.528 0.418 38.258 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -2.502 -1.217 40.438 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -1.169 -0.473 39.577 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -1.697 1.074 41.263 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -2.429 1.749 39.821 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -3.391 -0.787 42.201 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -4.975 -0.090 42.555 1.00 0.00 H new ATOM 240 N LEU A -4 -2.413 -1.694 36.459 1.00 0.00 N ATOM 241 CA LEU A -4 -1.582 -2.056 35.318 1.00 0.00 C ATOM 242 C LEU A -4 -1.877 -1.153 34.133 1.00 0.00 C ATOM 243 O LEU A -4 -1.005 -0.434 33.643 1.00 0.00 O ATOM 244 CB LEU A -4 -1.809 -3.518 34.931 1.00 0.00 C ATOM 245 CG LEU A -4 -0.568 -4.250 34.416 1.00 0.00 C ATOM 246 CD1 LEU A -4 0.191 -4.889 35.567 1.00 0.00 C ATOM 247 CD2 LEU A -4 -0.959 -5.300 33.384 1.00 0.00 C ATOM 0 H LEU A -4 -3.303 -2.190 36.503 1.00 0.00 H new ATOM 0 HA LEU A -4 -0.538 -1.927 35.604 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -2.194 -4.053 35.799 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -2.582 -3.559 34.163 1.00 0.00 H new ATOM 0 HG LEU A -4 0.087 -3.523 33.936 1.00 0.00 H new ATOM 0 HD11 LEU A -4 1.070 -5.405 35.181 1.00 0.00 H new ATOM 0 HD12 LEU A -4 0.503 -4.117 36.270 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -0.455 -5.604 36.076 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -0.064 -5.811 33.028 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -1.634 -6.025 33.840 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -1.459 -4.817 32.545 1.00 0.00 H new ATOM 259 N HIS A -3 -3.117 -1.202 33.681 1.00 0.00 N ATOM 260 CA HIS A -3 -3.559 -0.398 32.551 1.00 0.00 C ATOM 261 C HIS A -3 -3.608 1.083 32.915 1.00 0.00 C ATOM 262 O HIS A -3 -3.557 1.949 32.041 1.00 0.00 O ATOM 263 CB HIS A -3 -4.936 -0.862 32.073 1.00 0.00 C ATOM 264 CG HIS A -3 -4.927 -2.228 31.460 1.00 0.00 C ATOM 265 ND1 HIS A -3 -4.611 -3.370 32.166 1.00 0.00 N ATOM 266 CD2 HIS A -3 -5.200 -2.636 30.197 1.00 0.00 C ATOM 267 CE1 HIS A -3 -4.688 -4.418 31.366 1.00 0.00 C ATOM 268 NE2 HIS A -3 -5.044 -3.999 30.166 1.00 0.00 N ATOM 0 H HIS A -3 -3.843 -1.795 34.082 1.00 0.00 H new ATOM 0 HA HIS A -3 -2.837 -0.530 31.745 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -5.626 -0.856 32.917 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -5.318 -0.148 31.344 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -5.487 -2.005 29.369 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -4.493 -5.443 31.646 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -5.181 -4.592 29.348 1.00 0.00 H new ATOM 277 N GLY A -2 -3.706 1.367 34.209 1.00 0.00 N ATOM 278 CA GLY A -2 -3.760 2.743 34.664 1.00 0.00 C ATOM 279 C GLY A -2 -5.176 3.203 34.954 1.00 0.00 C ATOM 280 O GLY A -2 -5.551 3.386 36.112 1.00 0.00 O ATOM 0 H GLY A -2 -3.749 0.668 34.951 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -3.155 2.849 35.565 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -3.319 3.391 33.906 1.00 0.00 H new ATOM 284 N GLY A -1 -5.963 3.391 33.899 1.00 0.00 N ATOM 285 CA GLY A -1 -7.336 3.831 34.068 1.00 0.00 C ATOM 286 C GLY A -1 -7.618 5.139 33.355 1.00 0.00 C ATOM 287 O GLY A -1 -8.270 6.025 33.906 1.00 0.00 O ATOM 0 H GLY A -1 -5.675 3.247 32.931 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.010 3.062 33.690 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -7.549 3.947 35.131 1.00 0.00 H new ATOM 291 N VAL A 1 -7.123 5.261 32.128 1.00 0.00 N ATOM 292 CA VAL A 1 -7.326 6.470 31.341 1.00 0.00 C ATOM 293 C VAL A 1 -7.383 6.154 29.850 1.00 0.00 C ATOM 294 O VAL A 1 -6.924 5.099 29.411 1.00 0.00 O ATOM 295 CB VAL A 1 -6.206 7.498 31.592 1.00 0.00 C ATOM 296 CG1 VAL A 1 -6.372 8.146 32.958 1.00 0.00 C ATOM 297 CG2 VAL A 1 -4.840 6.840 31.468 1.00 0.00 C ATOM 0 H VAL A 1 -6.579 4.538 31.658 1.00 0.00 H new ATOM 0 HA VAL A 1 -8.279 6.895 31.656 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.278 8.279 30.835 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.572 8.869 33.117 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.335 8.654 33.005 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.328 7.380 33.732 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.061 7.581 31.648 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.755 6.038 32.201 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.724 6.429 30.465 1.00 0.00 H new ATOM 307 N ASN A 2 -7.949 7.075 29.077 1.00 0.00 N ATOM 308 CA ASN A 2 -8.066 6.897 27.634 1.00 0.00 C ATOM 309 C ASN A 2 -8.323 8.234 26.950 1.00 0.00 C ATOM 310 O ASN A 2 -9.471 8.623 26.739 1.00 0.00 O ATOM 311 CB ASN A 2 -9.193 5.914 27.310 1.00 0.00 C ATOM 312 CG ASN A 2 -8.673 4.598 26.764 1.00 0.00 C ATOM 313 OD1 ASN A 2 -8.935 4.344 25.487 1.00 0.00 O flip ATOM 314 ND2 ASN A 2 -8.044 3.820 27.480 1.00 0.00 N flip ATOM 0 H ASN A 2 -8.334 7.953 29.426 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.127 6.490 27.260 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.777 5.725 28.211 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.867 6.365 26.582 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.866 4.056 28.456 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.701 2.939 27.097 1.00 0.00 H new ATOM 321 N TYR A 3 -7.247 8.938 26.612 1.00 0.00 N ATOM 322 CA TYR A 3 -7.361 10.235 25.959 1.00 0.00 C ATOM 323 C TYR A 3 -8.107 11.218 26.857 1.00 0.00 C ATOM 324 O TYR A 3 -7.938 11.209 28.076 1.00 0.00 O ATOM 325 CB TYR A 3 -8.075 10.062 24.612 1.00 0.00 C ATOM 326 CG TYR A 3 -7.602 11.020 23.541 1.00 0.00 C ATOM 327 CD1 TYR A 3 -6.253 11.128 23.226 1.00 0.00 C ATOM 328 CD2 TYR A 3 -8.503 11.816 22.847 1.00 0.00 C ATOM 329 CE1 TYR A 3 -5.816 12.003 22.249 1.00 0.00 C ATOM 330 CE2 TYR A 3 -8.075 12.692 21.867 1.00 0.00 C ATOM 331 CZ TYR A 3 -6.731 12.782 21.573 1.00 0.00 C ATOM 332 OH TYR A 3 -6.300 13.654 20.599 1.00 0.00 O ATOM 0 H TYR A 3 -6.289 8.632 26.780 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.366 10.643 25.779 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.928 9.040 24.262 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.146 10.197 24.760 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.534 10.518 23.753 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.556 11.750 23.077 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.764 12.076 22.017 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.789 13.302 21.335 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.070 14.127 20.219 1.00 0.00 H new ATOM 342 N GLY A 4 -8.929 12.054 26.252 1.00 0.00 N ATOM 343 CA GLY A 4 -9.691 13.027 27.010 1.00 0.00 C ATOM 344 C GLY A 4 -8.917 14.304 27.286 1.00 0.00 C ATOM 345 O GLY A 4 -9.478 15.278 27.787 1.00 0.00 O ATOM 0 H GLY A 4 -9.086 12.079 25.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.602 13.272 26.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.997 12.582 27.957 1.00 0.00 H new ATOM 349 N ASN A 5 -7.625 14.302 26.965 1.00 0.00 N ATOM 350 CA ASN A 5 -6.784 15.473 27.187 1.00 0.00 C ATOM 351 C ASN A 5 -5.575 15.461 26.264 1.00 0.00 C ATOM 352 O ASN A 5 -5.209 16.483 25.683 1.00 0.00 O ATOM 353 CB ASN A 5 -6.328 15.527 28.646 1.00 0.00 C ATOM 354 CG ASN A 5 -6.323 16.939 29.199 1.00 0.00 C ATOM 355 OD1 ASN A 5 -5.739 17.847 28.609 1.00 0.00 O ATOM 356 ND2 ASN A 5 -6.979 17.130 30.338 1.00 0.00 N ATOM 0 H ASN A 5 -7.140 13.505 26.552 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.375 16.361 26.964 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.986 14.905 29.253 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.326 15.105 28.726 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.012 18.059 30.758 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.449 16.348 30.793 1.00 0.00 H new ATOM 363 N GLY A 6 -4.963 14.296 26.137 1.00 0.00 N ATOM 364 CA GLY A 6 -3.797 14.156 25.285 1.00 0.00 C ATOM 365 C GLY A 6 -3.012 12.892 25.581 1.00 0.00 C ATOM 366 O GLY A 6 -1.825 12.954 25.895 1.00 0.00 O ATOM 0 H GLY A 6 -5.252 13.440 26.610 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.112 14.149 24.241 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.148 15.022 25.416 1.00 0.00 H new ATOM 370 N VAL A 7 -3.682 11.745 25.476 1.00 0.00 N ATOM 371 CA VAL A 7 -3.056 10.447 25.728 1.00 0.00 C ATOM 372 C VAL A 7 -2.126 10.491 26.944 1.00 0.00 C ATOM 373 O VAL A 7 -2.218 11.394 27.775 1.00 0.00 O ATOM 374 CB VAL A 7 -2.295 9.945 24.475 1.00 0.00 C ATOM 375 CG1 VAL A 7 -0.844 10.414 24.456 1.00 0.00 C ATOM 376 CG2 VAL A 7 -2.379 8.428 24.368 1.00 0.00 C ATOM 0 H VAL A 7 -4.667 11.689 25.216 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.856 9.741 25.951 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.782 10.383 23.603 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.352 10.037 23.559 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.814 11.504 24.456 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.328 10.037 25.339 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.839 8.095 23.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.935 7.976 25.255 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.423 8.126 24.291 1.00 0.00 H new ATOM 386 N SER A 8 -1.239 9.511 27.037 1.00 0.00 N ATOM 387 CA SER A 8 -0.294 9.434 28.146 1.00 0.00 C ATOM 388 C SER A 8 1.053 8.894 27.678 1.00 0.00 C ATOM 389 O SER A 8 1.116 7.984 26.852 1.00 0.00 O ATOM 390 CB SER A 8 -0.854 8.547 29.259 1.00 0.00 C ATOM 391 OG SER A 8 -1.826 9.239 30.023 1.00 0.00 O ATOM 0 H SER A 8 -1.152 8.756 26.357 1.00 0.00 H new ATOM 0 HA SER A 8 -0.145 10.442 28.534 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.298 7.651 28.825 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.043 8.218 29.909 1.00 0.00 H new ATOM 0 HG SER A 8 -2.072 10.069 29.564 1.00 0.00 H new ATOM 397 N CYS A 9 2.130 9.460 28.214 1.00 0.00 N ATOM 398 CA CYS A 9 3.478 9.036 27.855 1.00 0.00 C ATOM 399 C CYS A 9 3.827 7.709 28.521 1.00 0.00 C ATOM 400 O CYS A 9 3.719 7.569 29.740 1.00 0.00 O ATOM 401 CB CYS A 9 4.495 10.107 28.259 1.00 0.00 C ATOM 402 SG CYS A 9 5.133 11.092 26.866 1.00 0.00 S ATOM 0 H CYS A 9 2.095 10.215 28.899 1.00 0.00 H new ATOM 0 HA CYS A 9 3.514 8.899 26.774 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.032 10.778 28.982 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.333 9.625 28.763 1.00 0.00 H new ATOM 407 N SER A 10 4.248 6.737 27.717 1.00 0.00 N ATOM 408 CA SER A 10 4.614 5.424 28.237 1.00 0.00 C ATOM 409 C SER A 10 5.609 4.728 27.316 1.00 0.00 C ATOM 410 O SER A 10 5.272 4.333 26.199 1.00 0.00 O ATOM 411 CB SER A 10 3.374 4.550 28.413 1.00 0.00 C ATOM 412 OG SER A 10 2.438 5.160 29.285 1.00 0.00 O ATOM 0 H SER A 10 4.344 6.833 26.706 1.00 0.00 H new ATOM 0 HA SER A 10 5.085 5.572 29.209 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.910 4.373 27.443 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.665 3.577 28.810 1.00 0.00 H new ATOM 0 HG SER A 10 2.824 5.981 29.656 1.00 0.00 H new ATOM 418 N LYS A 11 6.837 4.573 27.799 1.00 0.00 N ATOM 419 CA LYS A 11 7.895 3.917 27.038 1.00 0.00 C ATOM 420 C LYS A 11 8.202 4.635 25.724 1.00 0.00 C ATOM 421 O LYS A 11 9.057 4.194 24.957 1.00 0.00 O ATOM 422 CB LYS A 11 7.502 2.471 26.765 1.00 0.00 C ATOM 423 CG LYS A 11 8.689 1.545 26.544 1.00 0.00 C ATOM 424 CD LYS A 11 8.854 0.564 27.695 1.00 0.00 C ATOM 425 CE LYS A 11 10.124 -0.259 27.546 1.00 0.00 C ATOM 426 NZ LYS A 11 11.297 0.413 28.170 1.00 0.00 N ATOM 0 H LYS A 11 7.126 4.896 28.722 1.00 0.00 H new ATOM 0 HA LYS A 11 8.804 3.952 27.639 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.914 2.099 27.604 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.859 2.439 25.886 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.554 0.995 25.613 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.598 2.137 26.436 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.881 1.109 28.638 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.991 -0.100 27.735 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.979 -1.237 28.005 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.324 -0.430 26.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.143 -0.180 28.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.451 1.335 27.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.117 0.554 29.185 1.00 0.00 H new ATOM 440 N THR A 12 7.507 5.735 25.462 1.00 0.00 N ATOM 441 CA THR A 12 7.716 6.493 24.244 1.00 0.00 C ATOM 442 C THR A 12 7.367 7.964 24.460 1.00 0.00 C ATOM 443 O THR A 12 6.683 8.314 25.422 1.00 0.00 O ATOM 444 CB THR A 12 6.886 5.877 23.113 1.00 0.00 C ATOM 445 OG1 THR A 12 7.694 5.042 22.302 1.00 0.00 O ATOM 446 CG2 THR A 12 6.223 6.889 22.202 1.00 0.00 C ATOM 0 H THR A 12 6.793 6.119 26.081 1.00 0.00 H new ATOM 0 HA THR A 12 8.768 6.449 23.964 1.00 0.00 H new ATOM 0 HB THR A 12 6.101 5.317 23.621 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.319 4.543 22.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.656 6.368 21.430 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.549 7.517 22.785 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.985 7.512 21.734 1.00 0.00 H new ATOM 454 N LYS A 13 7.833 8.821 23.556 1.00 0.00 N ATOM 455 CA LYS A 13 7.558 10.250 23.652 1.00 0.00 C ATOM 456 C LYS A 13 6.054 10.507 23.658 1.00 0.00 C ATOM 457 O LYS A 13 5.260 9.603 23.398 1.00 0.00 O ATOM 458 CB LYS A 13 8.213 10.996 22.488 1.00 0.00 C ATOM 459 CG LYS A 13 9.564 11.602 22.836 1.00 0.00 C ATOM 460 CD LYS A 13 10.694 10.611 22.610 1.00 0.00 C ATOM 461 CE LYS A 13 11.952 11.305 22.114 1.00 0.00 C ATOM 462 NZ LYS A 13 12.727 10.447 21.175 1.00 0.00 N ATOM 0 H LYS A 13 8.400 8.552 22.752 1.00 0.00 H new ATOM 0 HA LYS A 13 7.978 10.618 24.588 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.337 10.309 21.651 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.544 11.789 22.153 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.732 12.492 22.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.563 11.923 23.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.910 10.085 23.540 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.381 9.860 21.885 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.681 12.235 21.615 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.579 11.571 22.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.577 10.957 20.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.008 9.570 21.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.137 10.214 20.350 1.00 0.00 H new ATOM 476 N CYS A 14 5.666 11.742 23.957 1.00 0.00 N ATOM 477 CA CYS A 14 4.256 12.108 23.997 1.00 0.00 C ATOM 478 C CYS A 14 3.767 12.544 22.619 1.00 0.00 C ATOM 479 O CYS A 14 3.200 13.626 22.462 1.00 0.00 O ATOM 480 CB CYS A 14 4.026 13.226 25.015 1.00 0.00 C ATOM 481 SG CYS A 14 3.830 12.642 26.729 1.00 0.00 S ATOM 0 H CYS A 14 6.307 12.505 24.175 1.00 0.00 H new ATOM 0 HA CYS A 14 3.686 11.230 24.301 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.866 13.920 24.973 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.135 13.786 24.729 1.00 0.00 H new ATOM 486 N SER A 15 3.990 11.695 21.621 1.00 0.00 N ATOM 487 CA SER A 15 3.573 11.992 20.256 1.00 0.00 C ATOM 488 C SER A 15 3.532 10.723 19.409 1.00 0.00 C ATOM 489 O SER A 15 4.023 9.673 19.823 1.00 0.00 O ATOM 490 CB SER A 15 4.520 13.012 19.622 1.00 0.00 C ATOM 491 OG SER A 15 5.772 12.424 19.315 1.00 0.00 O ATOM 0 H SER A 15 4.458 10.795 21.732 1.00 0.00 H new ATOM 0 HA SER A 15 2.568 12.413 20.294 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.071 13.414 18.714 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.666 13.850 20.303 1.00 0.00 H new ATOM 0 HG SER A 15 6.358 13.096 18.909 1.00 0.00 H new ATOM 497 N VAL A 16 2.945 10.830 18.221 1.00 0.00 N ATOM 498 CA VAL A 16 2.841 9.694 17.313 1.00 0.00 C ATOM 499 C VAL A 16 4.160 9.446 16.590 1.00 0.00 C ATOM 500 O VAL A 16 5.017 10.328 16.521 1.00 0.00 O ATOM 501 CB VAL A 16 1.728 9.910 16.269 1.00 0.00 C ATOM 502 CG1 VAL A 16 1.457 8.625 15.501 1.00 0.00 C ATOM 503 CG2 VAL A 16 0.459 10.417 16.936 1.00 0.00 C ATOM 0 H VAL A 16 2.534 11.693 17.865 1.00 0.00 H new ATOM 0 HA VAL A 16 2.594 8.824 17.921 1.00 0.00 H new ATOM 0 HB VAL A 16 2.065 10.666 15.560 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.668 8.798 14.769 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.365 8.309 14.988 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.143 7.846 16.195 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.315 10.563 16.182 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.117 9.687 17.670 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.664 11.364 17.435 1.00 0.00 H new ATOM 513 N ASN A 17 4.320 8.240 16.052 1.00 0.00 N ATOM 514 CA ASN A 17 5.536 7.877 15.332 1.00 0.00 C ATOM 515 C ASN A 17 5.434 8.269 13.860 1.00 0.00 C ATOM 516 O ASN A 17 5.632 7.442 12.970 1.00 0.00 O ATOM 517 CB ASN A 17 5.797 6.375 15.458 1.00 0.00 C ATOM 518 CG ASN A 17 4.612 5.542 15.009 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.464 5.978 15.096 1.00 0.00 O ATOM 520 ND2 ASN A 17 4.885 4.336 14.526 1.00 0.00 N ATOM 0 H ASN A 17 3.622 7.498 16.101 1.00 0.00 H new ATOM 0 HA ASN A 17 6.370 8.421 15.776 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.670 6.110 14.862 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.034 6.136 16.495 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.128 3.730 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.852 4.015 14.472 1.00 0.00 H new ATOM 527 N TRP A 18 5.123 9.537 13.613 1.00 0.00 N ATOM 528 CA TRP A 18 4.990 10.045 12.253 1.00 0.00 C ATOM 529 C TRP A 18 6.350 10.159 11.561 1.00 0.00 C ATOM 530 O TRP A 18 6.421 10.429 10.363 1.00 0.00 O ATOM 531 CB TRP A 18 4.296 11.409 12.266 1.00 0.00 C ATOM 532 CG TRP A 18 3.158 11.505 11.295 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.114 10.991 10.031 1.00 0.00 C ATOM 534 CD2 TRP A 18 1.901 12.155 11.509 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.905 11.282 9.446 1.00 0.00 N ATOM 536 CE2 TRP A 18 1.143 11.997 10.333 1.00 0.00 C ATOM 537 CE3 TRP A 18 1.342 12.857 12.581 1.00 0.00 C ATOM 538 CZ2 TRP A 18 -0.143 12.513 10.201 1.00 0.00 C ATOM 539 CZ3 TRP A 18 0.064 13.369 12.448 1.00 0.00 C ATOM 540 CH2 TRP A 18 -0.666 13.194 11.266 1.00 0.00 C ATOM 0 H TRP A 18 4.958 10.234 14.340 1.00 0.00 H new ATOM 0 HA TRP A 18 4.384 9.335 11.690 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.925 11.610 13.271 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.028 12.183 12.035 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.912 10.437 9.560 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.621 11.010 8.505 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.898 12.997 13.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.708 12.380 9.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.378 13.913 13.270 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.662 13.605 11.194 1.00 0.00 H new ATOM 551 N GLY A 19 7.426 9.955 12.318 1.00 0.00 N ATOM 552 CA GLY A 19 8.760 10.042 11.749 1.00 0.00 C ATOM 553 C GLY A 19 9.468 8.703 11.736 1.00 0.00 C ATOM 554 O GLY A 19 9.999 8.279 10.706 1.00 0.00 O ATOM 0 H GLY A 19 7.398 9.732 13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.694 10.425 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.351 10.757 12.321 1.00 0.00 H new ATOM 558 N GLN A 20 9.471 8.028 12.880 1.00 0.00 N ATOM 559 CA GLN A 20 10.115 6.726 12.988 1.00 0.00 C ATOM 560 C GLN A 20 9.574 5.779 11.930 1.00 0.00 C ATOM 561 O GLN A 20 10.305 5.366 11.029 1.00 0.00 O ATOM 562 CB GLN A 20 9.903 6.136 14.384 1.00 0.00 C ATOM 563 CG GLN A 20 10.599 6.917 15.488 1.00 0.00 C ATOM 564 CD GLN A 20 12.100 6.706 15.493 1.00 0.00 C ATOM 565 OE1 GLN A 20 12.608 5.762 14.888 1.00 0.00 O ATOM 566 NE2 GLN A 20 12.818 7.588 16.179 1.00 0.00 N ATOM 0 H GLN A 20 9.037 8.359 13.741 1.00 0.00 H new ATOM 0 HA GLN A 20 11.185 6.857 12.826 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.834 6.099 14.595 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.266 5.108 14.394 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.385 7.979 15.367 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.190 6.618 16.453 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.354 8.355 16.665 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.833 7.498 16.219 1.00 0.00 H new ATOM 575 N ALA A 21 8.290 5.441 12.025 1.00 0.00 N ATOM 576 CA ALA A 21 7.691 4.550 11.044 1.00 0.00 C ATOM 577 C ALA A 21 7.660 5.164 9.661 1.00 0.00 C ATOM 578 O ALA A 21 7.344 4.503 8.673 1.00 0.00 O ATOM 579 CB ALA A 21 6.319 4.074 11.468 1.00 0.00 C ATOM 0 H ALA A 21 7.658 5.765 12.757 1.00 0.00 H new ATOM 0 HA ALA A 21 8.334 3.672 10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.912 3.412 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.397 3.535 12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.659 4.932 11.593 1.00 0.00 H new ATOM 585 N PHE A 22 8.044 6.412 9.597 1.00 0.00 N ATOM 586 CA PHE A 22 8.127 7.119 8.333 1.00 0.00 C ATOM 587 C PHE A 22 9.287 6.524 7.559 1.00 0.00 C ATOM 588 O PHE A 22 9.236 6.361 6.339 1.00 0.00 O ATOM 589 CB PHE A 22 8.339 8.618 8.551 1.00 0.00 C ATOM 590 CG PHE A 22 7.828 9.468 7.424 1.00 0.00 C ATOM 591 CD1 PHE A 22 6.523 9.936 7.427 1.00 0.00 C ATOM 592 CD2 PHE A 22 8.651 9.799 6.359 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.050 10.719 6.391 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.184 10.580 5.320 1.00 0.00 C ATOM 595 CZ PHE A 22 6.881 11.041 5.336 1.00 0.00 C ATOM 0 H PHE A 22 8.308 6.969 10.410 1.00 0.00 H new ATOM 0 HA PHE A 22 7.195 7.009 7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.842 8.916 9.474 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.403 8.810 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.868 9.686 8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.670 9.442 6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.032 11.079 6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.836 10.830 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.513 11.652 4.525 1.00 0.00 H new ATOM 605 N GLN A 23 10.320 6.161 8.312 1.00 0.00 N ATOM 606 CA GLN A 23 11.502 5.531 7.759 1.00 0.00 C ATOM 607 C GLN A 23 11.230 4.041 7.531 1.00 0.00 C ATOM 608 O GLN A 23 11.902 3.393 6.728 1.00 0.00 O ATOM 609 CB GLN A 23 12.688 5.723 8.712 1.00 0.00 C ATOM 610 CG GLN A 23 13.899 4.866 8.375 1.00 0.00 C ATOM 611 CD GLN A 23 15.195 5.459 8.893 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.713 6.427 8.336 1.00 0.00 O ATOM 613 NE2 GLN A 23 15.726 4.879 9.962 1.00 0.00 N ATOM 0 H GLN A 23 10.356 6.297 9.322 1.00 0.00 H new ATOM 0 HA GLN A 23 11.748 5.993 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.984 6.772 8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.365 5.494 9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.764 3.871 8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.965 4.746 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.262 4.079 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.598 5.234 10.354 1.00 0.00 H new ATOM 622 N GLU A 24 10.232 3.506 8.245 1.00 0.00 N ATOM 623 CA GLU A 24 9.867 2.100 8.119 1.00 0.00 C ATOM 624 C GLU A 24 9.289 1.814 6.734 1.00 0.00 C ATOM 625 O GLU A 24 9.499 0.742 6.168 1.00 0.00 O ATOM 626 CB GLU A 24 8.874 1.692 9.219 1.00 0.00 C ATOM 627 CG GLU A 24 7.406 1.764 8.819 1.00 0.00 C ATOM 628 CD GLU A 24 6.862 0.426 8.361 1.00 0.00 C ATOM 629 OE1 GLU A 24 7.654 -0.393 7.849 1.00 0.00 O ATOM 630 OE2 GLU A 24 5.643 0.196 8.513 1.00 0.00 O ATOM 0 H GLU A 24 9.667 4.029 8.914 1.00 0.00 H new ATOM 0 HA GLU A 24 10.771 1.503 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.100 0.673 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.031 2.334 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.819 2.120 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.286 2.494 8.019 1.00 0.00 H new ATOM 637 N ARG A 25 8.556 2.786 6.202 1.00 0.00 N ATOM 638 CA ARG A 25 7.938 2.652 4.890 1.00 0.00 C ATOM 639 C ARG A 25 8.983 2.695 3.784 1.00 0.00 C ATOM 640 O ARG A 25 8.815 2.083 2.730 1.00 0.00 O ATOM 641 CB ARG A 25 6.900 3.757 4.680 1.00 0.00 C ATOM 642 CG ARG A 25 5.520 3.401 5.208 1.00 0.00 C ATOM 643 CD ARG A 25 4.422 4.059 4.388 1.00 0.00 C ATOM 644 NE ARG A 25 3.110 3.909 5.016 1.00 0.00 N ATOM 645 CZ ARG A 25 1.957 4.054 4.368 1.00 0.00 C ATOM 646 NH1 ARG A 25 1.947 4.357 3.075 1.00 0.00 N ATOM 647 NH2 ARG A 25 0.810 3.896 5.013 1.00 0.00 N ATOM 0 H ARG A 25 8.375 3.678 6.662 1.00 0.00 H new ATOM 0 HA ARG A 25 7.440 1.683 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.245 4.667 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.827 3.978 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.390 2.319 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.436 3.714 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.646 5.118 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.400 3.619 3.391 1.00 0.00 H new ATOM 0 HE ARG A 25 3.077 3.680 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.826 4.480 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.060 4.467 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.811 3.663 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.074 4.007 4.516 1.00 0.00 H new ATOM 661 N TYR A 26 10.062 3.422 4.035 1.00 0.00 N ATOM 662 CA TYR A 26 11.140 3.549 3.065 1.00 0.00 C ATOM 663 C TYR A 26 11.838 2.209 2.856 1.00 0.00 C ATOM 664 O TYR A 26 12.055 1.779 1.723 1.00 0.00 O ATOM 665 CB TYR A 26 12.150 4.604 3.526 1.00 0.00 C ATOM 666 CG TYR A 26 12.349 5.726 2.533 1.00 0.00 C ATOM 667 CD1 TYR A 26 11.285 6.524 2.134 1.00 0.00 C ATOM 668 CD2 TYR A 26 13.604 5.987 1.995 1.00 0.00 C ATOM 669 CE1 TYR A 26 11.464 7.550 1.226 1.00 0.00 C ATOM 670 CE2 TYR A 26 13.790 7.011 1.086 1.00 0.00 C ATOM 671 CZ TYR A 26 12.718 7.790 0.705 1.00 0.00 C ATOM 672 OH TYR A 26 12.901 8.812 -0.199 1.00 0.00 O ATOM 0 H TYR A 26 10.214 3.934 4.904 1.00 0.00 H new ATOM 0 HA TYR A 26 10.709 3.866 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.816 5.025 4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.109 4.120 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.301 6.340 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.447 5.380 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.626 8.161 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.771 7.200 0.676 1.00 0.00 H new ATOM 0 HH TYR A 26 13.843 8.847 -0.467 1.00 0.00 H new ATOM 682 N THR A 27 12.185 1.554 3.959 1.00 0.00 N ATOM 683 CA THR A 27 12.858 0.261 3.901 1.00 0.00 C ATOM 684 C THR A 27 11.941 -0.802 3.306 1.00 0.00 C ATOM 685 O THR A 27 12.397 -1.710 2.610 1.00 0.00 O ATOM 686 CB THR A 27 13.310 -0.164 5.299 1.00 0.00 C ATOM 687 OG1 THR A 27 14.116 0.840 5.891 1.00 0.00 O ATOM 688 CG2 THR A 27 14.104 -1.452 5.306 1.00 0.00 C ATOM 0 H THR A 27 12.011 1.897 4.904 1.00 0.00 H new ATOM 0 HA THR A 27 13.733 0.362 3.258 1.00 0.00 H new ATOM 0 HB THR A 27 12.391 -0.320 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.394 0.551 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 27 14.393 -1.696 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.493 -2.258 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.998 -1.331 4.695 1.00 0.00 H new ATOM 696 N ALA A 28 10.647 -0.686 3.584 1.00 0.00 N ATOM 697 CA ALA A 28 9.668 -1.637 3.076 1.00 0.00 C ATOM 698 C ALA A 28 9.586 -1.583 1.556 1.00 0.00 C ATOM 699 O ALA A 28 9.312 -2.590 0.903 1.00 0.00 O ATOM 700 CB ALA A 28 8.303 -1.368 3.691 1.00 0.00 C ATOM 0 H ALA A 28 10.252 0.058 4.159 1.00 0.00 H new ATOM 0 HA ALA A 28 9.991 -2.639 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.581 -2.086 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.366 -1.467 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.982 -0.358 3.437 1.00 0.00 H new ATOM 706 N GLY A 29 9.821 -0.400 0.997 1.00 0.00 N ATOM 707 CA GLY A 29 9.767 -0.237 -0.444 1.00 0.00 C ATOM 708 C GLY A 29 10.983 -0.814 -1.143 1.00 0.00 C ATOM 709 O GLY A 29 10.868 -1.397 -2.222 1.00 0.00 O ATOM 0 H GLY A 29 10.048 0.448 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.869 -0.721 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.684 0.823 -0.683 1.00 0.00 H new ATOM 713 N ILE A 30 12.150 -0.654 -0.527 1.00 0.00 N ATOM 714 CA ILE A 30 13.391 -1.165 -1.098 1.00 0.00 C ATOM 715 C ILE A 30 13.324 -2.678 -1.295 1.00 0.00 C ATOM 716 O ILE A 30 13.957 -3.223 -2.198 1.00 0.00 O ATOM 717 CB ILE A 30 14.603 -0.823 -0.209 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.675 0.686 0.035 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.893 -1.320 -0.848 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.802 1.096 0.957 1.00 0.00 C ATOM 0 H ILE A 30 12.262 -0.175 0.367 1.00 0.00 H new ATOM 0 HA ILE A 30 13.516 -0.682 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 30 14.479 -1.325 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.795 1.195 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.729 1.023 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.737 -1.069 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.843 -2.401 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.024 -0.846 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.792 2.178 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.672 0.615 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.755 0.790 0.525 1.00 0.00 H new ATOM 732 N ASN A 31 12.553 -3.349 -0.445 1.00 0.00 N ATOM 733 CA ASN A 31 12.403 -4.799 -0.529 1.00 0.00 C ATOM 734 C ASN A 31 11.940 -5.219 -1.920 1.00 0.00 C ATOM 735 O ASN A 31 12.592 -6.025 -2.584 1.00 0.00 O ATOM 736 CB ASN A 31 11.408 -5.292 0.523 1.00 0.00 C ATOM 737 CG ASN A 31 11.575 -6.767 0.832 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.390 -7.619 -0.036 1.00 0.00 O ATOM 739 ND2 ASN A 31 11.926 -7.075 2.075 1.00 0.00 N ATOM 0 H ASN A 31 12.023 -2.913 0.309 1.00 0.00 H new ATOM 0 HA ASN A 31 13.376 -5.251 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.537 -4.715 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.392 -5.110 0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.053 -8.051 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.069 -6.335 2.763 1.00 0.00 H new ATOM 746 N SER A 32 10.815 -4.665 -2.357 1.00 0.00 N ATOM 747 CA SER A 32 10.270 -4.979 -3.672 1.00 0.00 C ATOM 748 C SER A 32 11.254 -4.585 -4.768 1.00 0.00 C ATOM 749 O SER A 32 11.347 -5.248 -5.801 1.00 0.00 O ATOM 750 CB SER A 32 8.935 -4.259 -3.879 1.00 0.00 C ATOM 751 OG SER A 32 7.852 -5.171 -3.837 1.00 0.00 O ATOM 0 H SER A 32 10.263 -3.996 -1.820 1.00 0.00 H new ATOM 0 HA SER A 32 10.102 -6.055 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.805 -3.499 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.942 -3.742 -4.839 1.00 0.00 H new ATOM 0 HG SER A 32 7.011 -4.686 -3.970 1.00 0.00 H new ATOM 757 N PHE A 33 11.988 -3.502 -4.533 1.00 0.00 N ATOM 758 CA PHE A 33 12.967 -3.017 -5.497 1.00 0.00 C ATOM 759 C PHE A 33 14.091 -4.031 -5.685 1.00 0.00 C ATOM 760 O PHE A 33 14.562 -4.253 -6.803 1.00 0.00 O ATOM 761 CB PHE A 33 13.542 -1.676 -5.038 1.00 0.00 C ATOM 762 CG PHE A 33 12.847 -0.487 -5.639 1.00 0.00 C ATOM 763 CD1 PHE A 33 12.988 -0.196 -6.986 1.00 0.00 C ATOM 764 CD2 PHE A 33 12.054 0.336 -4.858 1.00 0.00 C ATOM 765 CE1 PHE A 33 12.351 0.895 -7.544 1.00 0.00 C ATOM 766 CE2 PHE A 33 11.413 1.430 -5.410 1.00 0.00 C ATOM 767 CZ PHE A 33 11.562 1.710 -6.754 1.00 0.00 C ATOM 0 H PHE A 33 11.923 -2.944 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 33 12.464 -2.879 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.476 -1.614 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.600 -1.636 -5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.603 -0.830 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.935 0.121 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 33 12.469 1.111 -8.596 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.797 2.065 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.063 2.564 -7.187 1.00 0.00 H new ATOM 777 N VAL A 34 14.518 -4.646 -4.586 1.00 0.00 N ATOM 778 CA VAL A 34 15.588 -5.635 -4.631 1.00 0.00 C ATOM 779 C VAL A 34 15.266 -6.743 -5.628 1.00 0.00 C ATOM 780 O VAL A 34 15.859 -6.807 -6.697 1.00 0.00 O ATOM 781 CB VAL A 34 15.845 -6.253 -3.240 1.00 0.00 C ATOM 782 CG1 VAL A 34 16.997 -7.248 -3.294 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.123 -5.161 -2.216 1.00 0.00 C ATOM 0 H VAL A 34 14.139 -4.476 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 34 16.490 -5.115 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 34 14.948 -6.792 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.160 -7.670 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.755 -8.048 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 17.902 -6.739 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.302 -5.614 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.003 -4.593 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.264 -4.493 -2.154 1.00 0.00 H new ATOM 793 N SER A 35 14.339 -7.623 -5.268 1.00 0.00 N ATOM 794 CA SER A 35 13.968 -8.734 -6.122 1.00 0.00 C ATOM 795 C SER A 35 13.707 -8.306 -7.544 1.00 0.00 C ATOM 796 O SER A 35 14.356 -8.804 -8.462 1.00 0.00 O ATOM 797 CB SER A 35 12.732 -9.443 -5.558 1.00 0.00 C ATOM 798 OG SER A 35 12.464 -10.649 -6.248 1.00 0.00 O ATOM 0 H SER A 35 13.831 -7.584 -4.385 1.00 0.00 H new ATOM 0 HA SER A 35 14.814 -9.421 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.884 -9.655 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.868 -8.782 -5.630 1.00 0.00 H new ATOM 0 HG SER A 35 11.671 -11.077 -5.863 1.00 0.00 H new ATOM 804 N GLY A 36 12.787 -7.381 -7.739 1.00 0.00 N ATOM 805 CA GLY A 36 12.520 -6.921 -9.089 1.00 0.00 C ATOM 806 C GLY A 36 13.800 -6.932 -9.899 1.00 0.00 C ATOM 807 O GLY A 36 13.841 -7.414 -11.032 1.00 0.00 O ATOM 0 H GLY A 36 12.227 -6.944 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.775 -7.562 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.104 -5.914 -9.064 1.00 0.00 H new ATOM 811 N VAL A 37 14.858 -6.427 -9.271 1.00 0.00 N ATOM 812 CA VAL A 37 16.174 -6.390 -9.858 1.00 0.00 C ATOM 813 C VAL A 37 16.999 -7.637 -9.511 1.00 0.00 C ATOM 814 O VAL A 37 17.316 -8.454 -10.376 1.00 0.00 O ATOM 815 CB VAL A 37 16.946 -5.135 -9.401 1.00 0.00 C ATOM 816 CG1 VAL A 37 18.301 -5.054 -10.086 1.00 0.00 C ATOM 817 CG2 VAL A 37 16.128 -3.881 -9.673 1.00 0.00 C ATOM 0 H VAL A 37 14.815 -6.031 -8.332 1.00 0.00 H new ATOM 0 HA VAL A 37 16.029 -6.361 -10.938 1.00 0.00 H new ATOM 0 HB VAL A 37 17.116 -5.209 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.827 -4.161 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.888 -5.937 -9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.160 -5.005 -11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.686 -3.004 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.925 -3.803 -10.741 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.186 -3.936 -9.128 1.00 0.00 H new ATOM 827 N ALA A 38 17.382 -7.730 -8.233 1.00 0.00 N ATOM 828 CA ALA A 38 18.214 -8.811 -7.727 1.00 0.00 C ATOM 829 C ALA A 38 17.458 -10.081 -7.367 1.00 0.00 C ATOM 830 O ALA A 38 17.549 -11.105 -8.046 1.00 0.00 O ATOM 831 CB ALA A 38 18.993 -8.330 -6.508 1.00 0.00 C ATOM 0 H ALA A 38 17.118 -7.049 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 38 18.879 -9.078 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.615 -9.141 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.625 -7.488 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.296 -8.016 -5.731 1.00 0.00 H new ATOM 837 N SER A 39 16.771 -10.001 -6.237 1.00 0.00 N ATOM 838 CA SER A 39 16.038 -11.117 -5.662 1.00 0.00 C ATOM 839 C SER A 39 14.896 -11.634 -6.544 1.00 0.00 C ATOM 840 O SER A 39 14.155 -12.530 -6.139 1.00 0.00 O ATOM 841 CB SER A 39 15.531 -10.695 -4.289 1.00 0.00 C ATOM 842 OG SER A 39 15.759 -11.709 -3.325 1.00 0.00 O ATOM 0 H SER A 39 16.707 -9.145 -5.686 1.00 0.00 H new ATOM 0 HA SER A 39 16.723 -11.961 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.031 -9.777 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.465 -10.475 -4.344 1.00 0.00 H new ATOM 0 HG SER A 39 15.426 -11.412 -2.453 1.00 0.00 H new ATOM 848 N GLY A 40 14.753 -11.077 -7.744 1.00 0.00 N ATOM 849 CA GLY A 40 13.697 -11.512 -8.641 1.00 0.00 C ATOM 850 C GLY A 40 14.029 -11.254 -10.097 1.00 0.00 C ATOM 851 O GLY A 40 13.197 -10.747 -10.851 1.00 0.00 O ATOM 0 H GLY A 40 15.348 -10.334 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.517 -12.577 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.772 -10.995 -8.386 1.00 0.00 H new ATOM 855 N ALA A 41 15.249 -11.602 -10.496 1.00 0.00 N ATOM 856 CA ALA A 41 15.689 -11.404 -11.870 1.00 0.00 C ATOM 857 C ALA A 41 14.837 -12.210 -12.843 1.00 0.00 C ATOM 858 O ALA A 41 13.850 -11.711 -13.382 1.00 0.00 O ATOM 859 CB ALA A 41 17.162 -11.767 -12.009 1.00 0.00 C ATOM 0 H ALA A 41 15.950 -12.023 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 41 15.566 -10.350 -12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 41 17.478 -11.615 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.756 -11.134 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.306 -12.812 -11.736 1.00 0.00 H new ATOM 865 N GLY A 42 15.226 -13.457 -13.062 1.00 0.00 N ATOM 866 CA GLY A 42 14.492 -14.320 -13.970 1.00 0.00 C ATOM 867 C GLY A 42 15.324 -15.491 -14.455 1.00 0.00 C ATOM 868 O GLY A 42 15.472 -15.701 -15.658 1.00 0.00 O ATOM 0 H GLY A 42 16.040 -13.890 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.600 -14.695 -13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.155 -13.738 -14.827 1.00 0.00 H new ATOM 872 N SER A 43 15.870 -16.257 -13.513 1.00 0.00 N ATOM 873 CA SER A 43 16.691 -17.417 -13.843 1.00 0.00 C ATOM 874 C SER A 43 17.757 -17.067 -14.879 1.00 0.00 C ATOM 875 O SER A 43 18.196 -17.925 -15.646 1.00 0.00 O ATOM 876 CB SER A 43 15.808 -18.553 -14.358 1.00 0.00 C ATOM 877 OG SER A 43 15.567 -18.425 -15.749 1.00 0.00 O ATOM 0 H SER A 43 15.757 -16.094 -12.512 1.00 0.00 H new ATOM 0 HA SER A 43 17.200 -17.740 -12.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.288 -19.510 -14.156 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.860 -18.552 -13.820 1.00 0.00 H new ATOM 0 HG SER A 43 15.377 -17.488 -15.963 1.00 0.00 H new ATOM 883 N ILE A 44 18.168 -15.804 -14.898 1.00 0.00 N ATOM 884 CA ILE A 44 19.176 -15.339 -15.833 1.00 0.00 C ATOM 885 C ILE A 44 20.525 -15.173 -15.144 1.00 0.00 C ATOM 886 O ILE A 44 21.283 -14.252 -15.446 1.00 0.00 O ATOM 887 CB ILE A 44 18.771 -14.000 -16.475 1.00 0.00 C ATOM 888 CG1 ILE A 44 18.018 -13.117 -15.476 1.00 0.00 C ATOM 889 CG2 ILE A 44 17.929 -14.239 -17.719 1.00 0.00 C ATOM 890 CD1 ILE A 44 18.274 -11.639 -15.669 1.00 0.00 C ATOM 0 H ILE A 44 17.813 -15.082 -14.270 1.00 0.00 H new ATOM 0 HA ILE A 44 19.259 -16.095 -16.613 1.00 0.00 H new ATOM 0 HB ILE A 44 19.681 -13.476 -16.768 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.949 -13.308 -15.568 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.307 -13.399 -14.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 17.652 -13.282 -18.160 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.504 -14.818 -18.442 1.00 0.00 H new ATOM 0 HG23 ILE A 44 17.027 -14.789 -17.448 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.710 -11.072 -14.928 1.00 0.00 H new ATOM 0 HD12 ILE A 44 19.338 -11.435 -15.548 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.959 -11.343 -16.670 1.00 0.00 H new ATOM 902 N GLY A 45 20.816 -16.075 -14.217 1.00 0.00 N ATOM 903 CA GLY A 45 22.073 -16.018 -13.492 1.00 0.00 C ATOM 904 C GLY A 45 22.598 -17.395 -13.133 1.00 0.00 C ATOM 905 O GLY A 45 23.156 -17.590 -12.053 1.00 0.00 O ATOM 0 H GLY A 45 20.204 -16.847 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.815 -15.496 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.937 -15.435 -12.581 1.00 0.00 H new ATOM 909 N ARG A 46 22.419 -18.349 -14.039 1.00 0.00 N ATOM 910 CA ARG A 46 22.879 -19.715 -13.812 1.00 0.00 C ATOM 911 C ARG A 46 24.231 -19.951 -14.477 1.00 0.00 C ATOM 912 O ARG A 46 24.907 -20.934 -14.110 1.00 0.00 O ATOM 913 CB ARG A 46 21.853 -20.717 -14.344 1.00 0.00 C ATOM 914 CG ARG A 46 21.656 -20.645 -15.850 1.00 0.00 C ATOM 915 CD ARG A 46 22.582 -21.605 -16.579 1.00 0.00 C ATOM 916 NE ARG A 46 22.200 -21.777 -17.979 1.00 0.00 N ATOM 917 CZ ARG A 46 23.014 -22.261 -18.915 1.00 0.00 C ATOM 918 NH1 ARG A 46 24.253 -22.623 -18.605 1.00 0.00 N ATOM 919 NH2 ARG A 46 22.587 -22.384 -20.165 1.00 0.00 N ATOM 920 OXT ARG A 46 24.602 -19.150 -15.362 1.00 0.00 O ATOM 0 H ARG A 46 21.959 -18.203 -14.937 1.00 0.00 H new ATOM 0 HA ARG A 46 22.993 -19.860 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.169 -21.725 -14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.896 -20.541 -13.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.620 -20.881 -16.094 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.841 -19.627 -16.194 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.605 -21.233 -16.525 1.00 0.00 H new ATOM 0 HD3 ARG A 46 22.568 -22.573 -16.078 1.00 0.00 H new ATOM 0 HE ARG A 46 21.255 -21.511 -18.255 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.586 -22.531 -17.645 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.872 -22.993 -19.326 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.636 -22.108 -20.408 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.210 -22.755 -20.883 1.00 0.00 H new TER 934 ARG A 46