USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 50 GLN : amide:sc= -3.89! C(o=-4.9!,f=-3.1!) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.04 K(o=-4.9,f=-6.1!) USER MOD Set 2.1: A 39 MET CE :methyl -170:sc= -0.857 (180deg=-0.722) USER MOD Set 2.2: A 60 HIS : no HD1:sc= -15.4! C(o=-16!,f=-15!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 154:sc= 2.46 (180deg=1.29) USER MOD Set 3.2: A 23 GLN : amide:sc= 1.73 K(o=4.2,f=-9.3!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.145 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 169:sc= -0.027 (180deg=-0.218) USER MOD Single : A 7 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.047) USER MOD Single : A 9 LYS NZ :NH3+ -119:sc= 1.02 (180deg=-0.0959) USER MOD Single : A 16 MET CE :methyl -164:sc= -0.0597 (180deg=-0.439) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-3.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.903) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.11) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.402 K(o=-0.4,f=-1) USER MOD Single : A 58 GLN : amide:sc= -0.944 K(o=-0.94,f=-0.39) USER MOD Single : A 59 THR OG1 : rot -3:sc= 1.21 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.51) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.263 1.319 -5.455 1.00 0.00 N ATOM 2 CA GLY A 1 16.767 0.876 -6.748 1.00 0.00 C ATOM 3 C GLY A 1 17.736 -0.274 -6.587 1.00 0.00 C ATOM 4 O GLY A 1 18.089 -0.624 -5.459 1.00 0.00 O ATOM 0 H1 GLY A 1 15.227 1.232 -5.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.673 0.730 -4.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.529 2.312 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.934 0.569 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.262 1.705 -7.253 1.00 0.00 H new ATOM 10 N PRO A 2 18.216 -0.865 -7.692 1.00 0.00 N ATOM 11 CA PRO A 2 19.114 -2.022 -7.650 1.00 0.00 C ATOM 12 C PRO A 2 20.593 -1.614 -7.583 1.00 0.00 C ATOM 13 O PRO A 2 21.474 -2.349 -8.025 1.00 0.00 O ATOM 14 CB PRO A 2 18.810 -2.699 -8.983 1.00 0.00 C ATOM 15 CG PRO A 2 18.515 -1.574 -9.921 1.00 0.00 C ATOM 16 CD PRO A 2 17.916 -0.464 -9.088 1.00 0.00 C ATOM 0 HA PRO A 2 18.960 -2.648 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.657 -3.291 -9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.961 -3.377 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.424 -1.237 -10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.822 -1.891 -10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.360 0.502 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.843 -0.373 -9.256 1.00 0.00 H new ATOM 24 N HIS A 3 20.855 -0.470 -7.012 1.00 0.00 N ATOM 25 CA HIS A 3 22.195 0.043 -6.906 1.00 0.00 C ATOM 26 C HIS A 3 22.321 0.740 -5.570 1.00 0.00 C ATOM 27 O HIS A 3 21.405 1.455 -5.167 1.00 0.00 O ATOM 28 CB HIS A 3 22.470 1.026 -8.067 1.00 0.00 C ATOM 29 CG HIS A 3 23.897 1.506 -8.181 1.00 0.00 C ATOM 30 ND1 HIS A 3 24.838 0.933 -9.011 1.00 0.00 N ATOM 31 CD2 HIS A 3 24.524 2.539 -7.571 1.00 0.00 C ATOM 32 CE1 HIS A 3 25.974 1.615 -8.884 1.00 0.00 C ATOM 33 NE2 HIS A 3 25.841 2.606 -8.019 1.00 0.00 N ATOM 0 H HIS A 3 20.142 0.136 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 3 22.925 -0.764 -6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 3 22.190 0.544 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 3 21.821 1.893 -7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.074 3.206 -6.851 1.00 0.00 H new ATOM 0 HE1 HIS A 3 26.885 1.388 -9.418 1.00 0.00 H new ATOM 0 HE2 HIS A 3 26.554 3.279 -7.738 1.00 0.00 H new ATOM 41 N MET A 4 23.430 0.498 -4.887 1.00 0.00 N ATOM 42 CA MET A 4 23.734 1.088 -3.578 1.00 0.00 C ATOM 43 C MET A 4 22.740 0.639 -2.500 1.00 0.00 C ATOM 44 O MET A 4 21.671 1.230 -2.303 1.00 0.00 O ATOM 45 CB MET A 4 23.874 2.628 -3.645 1.00 0.00 C ATOM 46 CG MET A 4 24.203 3.290 -2.308 1.00 0.00 C ATOM 47 SD MET A 4 25.694 2.631 -1.523 1.00 0.00 S ATOM 48 CE MET A 4 26.947 3.022 -2.753 1.00 0.00 C ATOM 0 H MET A 4 24.162 -0.125 -5.228 1.00 0.00 H new ATOM 0 HA MET A 4 24.710 0.705 -3.282 1.00 0.00 H new ATOM 0 HB2 MET A 4 24.655 2.879 -4.363 1.00 0.00 H new ATOM 0 HB3 MET A 4 22.944 3.049 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 4 24.327 4.362 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 4 23.359 3.162 -1.631 1.00 0.00 H new ATOM 0 HE1 MET A 4 27.937 2.855 -2.329 1.00 0.00 H new ATOM 0 HE2 MET A 4 26.813 2.382 -3.625 1.00 0.00 H new ATOM 0 HE3 MET A 4 26.851 4.066 -3.051 1.00 0.00 H new ATOM 58 N ASP A 5 23.120 -0.388 -1.773 1.00 0.00 N ATOM 59 CA ASP A 5 22.258 -0.999 -0.750 1.00 0.00 C ATOM 60 C ASP A 5 22.272 -0.247 0.567 1.00 0.00 C ATOM 61 O ASP A 5 21.880 -0.776 1.596 1.00 0.00 O ATOM 62 CB ASP A 5 22.595 -2.477 -0.535 1.00 0.00 C ATOM 63 CG ASP A 5 22.046 -3.393 -1.611 1.00 0.00 C ATOM 64 OD1 ASP A 5 22.683 -3.547 -2.681 1.00 0.00 O1- ATOM 65 OD2 ASP A 5 20.952 -3.982 -1.407 1.00 0.00 O ATOM 0 H ASP A 5 24.033 -0.833 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 5 21.242 -0.932 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 5 23.678 -2.590 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 5 22.203 -2.792 0.432 1.00 0.00 H new ATOM 70 N VAL A 6 22.672 1.004 0.517 1.00 0.00 N ATOM 71 CA VAL A 6 22.682 1.864 1.660 1.00 0.00 C ATOM 72 C VAL A 6 21.800 3.033 1.283 1.00 0.00 C ATOM 73 O VAL A 6 21.548 3.958 2.054 1.00 0.00 O ATOM 74 CB VAL A 6 24.127 2.339 1.991 1.00 0.00 C ATOM 75 CG1 VAL A 6 24.188 3.067 3.327 1.00 0.00 C ATOM 76 CG2 VAL A 6 25.091 1.161 1.983 1.00 0.00 C ATOM 0 H VAL A 6 23.003 1.452 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 6 22.321 1.354 2.553 1.00 0.00 H new ATOM 0 HB VAL A 6 24.426 3.045 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 6 25.213 3.383 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 6 23.538 3.942 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 6 23.857 2.398 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.096 1.512 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 24.779 0.431 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.089 0.696 0.997 1.00 0.00 H new ATOM 86 N HIS A 7 21.274 2.947 0.072 1.00 0.00 N ATOM 87 CA HIS A 7 20.420 3.942 -0.417 1.00 0.00 C ATOM 88 C HIS A 7 19.054 3.292 -0.616 1.00 0.00 C ATOM 89 O HIS A 7 18.111 3.855 -1.191 1.00 0.00 O ATOM 90 CB HIS A 7 20.980 4.565 -1.702 1.00 0.00 C ATOM 91 CG HIS A 7 20.229 5.767 -2.203 1.00 0.00 C ATOM 92 ND1 HIS A 7 19.578 5.814 -3.413 1.00 0.00 N ATOM 93 CD2 HIS A 7 20.048 6.982 -1.635 1.00 0.00 C ATOM 94 CE1 HIS A 7 19.033 7.013 -3.546 1.00 0.00 C ATOM 95 NE2 HIS A 7 19.284 7.776 -2.488 1.00 0.00 N ATOM 0 H HIS A 7 21.445 2.177 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 7 20.329 4.771 0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 7 22.018 4.850 -1.528 1.00 0.00 H new ATOM 0 HB3 HIS A 7 20.985 3.806 -2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.434 7.288 -0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.459 7.330 -4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.982 8.738 -2.333 1.00 0.00 H new ATOM 103 N LYS A 8 18.959 2.113 -0.076 1.00 0.00 N ATOM 104 CA LYS A 8 17.792 1.330 -0.168 1.00 0.00 C ATOM 105 C LYS A 8 16.956 1.528 1.068 1.00 0.00 C ATOM 106 O LYS A 8 17.235 0.995 2.142 1.00 0.00 O ATOM 107 CB LYS A 8 18.148 -0.122 -0.406 1.00 0.00 C ATOM 108 CG LYS A 8 16.956 -1.010 -0.732 1.00 0.00 C ATOM 109 CD LYS A 8 17.412 -2.384 -1.164 1.00 0.00 C ATOM 110 CE LYS A 8 18.152 -2.342 -2.502 1.00 0.00 C ATOM 111 NZ LYS A 8 18.716 -3.648 -2.853 1.00 0.00 N1+ ATOM 0 H LYS A 8 19.714 1.672 0.449 1.00 0.00 H new ATOM 0 HA LYS A 8 17.196 1.649 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.865 -0.179 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 8 18.646 -0.513 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.310 -1.094 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.363 -0.553 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.065 -2.807 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.549 -3.044 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.467 -2.019 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.951 -1.602 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.809 -3.720 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.653 -3.751 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.087 -4.402 -2.509 1.00 0.00 H new ATOM 125 N LYS A 9 16.012 2.388 0.918 1.00 0.00 N ATOM 126 CA LYS A 9 15.070 2.729 1.943 1.00 0.00 C ATOM 127 C LYS A 9 13.720 2.522 1.367 1.00 0.00 C ATOM 128 O LYS A 9 13.555 2.667 0.159 1.00 0.00 O ATOM 129 CB LYS A 9 15.167 4.217 2.405 1.00 0.00 C ATOM 130 CG LYS A 9 16.499 4.694 2.999 1.00 0.00 C ATOM 131 CD LYS A 9 17.564 4.977 1.950 1.00 0.00 C ATOM 132 CE LYS A 9 17.242 6.208 1.078 1.00 0.00 C ATOM 133 NZ LYS A 9 17.264 7.481 1.842 1.00 0.00 N1+ ATOM 0 H LYS A 9 15.863 2.897 0.047 1.00 0.00 H new ATOM 0 HA LYS A 9 15.277 2.108 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.936 4.850 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.388 4.389 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.325 5.599 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.872 3.937 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.522 5.131 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.674 4.103 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.963 6.267 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.259 6.079 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.325 7.926 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.514 7.287 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.969 8.123 1.426 1.00 0.00 H new ATOM 147 N CYS A 10 12.787 2.095 2.193 1.00 0.00 N ATOM 148 CA CYS A 10 11.386 2.015 1.803 1.00 0.00 C ATOM 149 C CYS A 10 11.006 3.413 1.354 1.00 0.00 C ATOM 150 O CYS A 10 10.925 4.291 2.182 1.00 0.00 O ATOM 151 CB CYS A 10 10.582 1.627 3.035 1.00 0.00 C ATOM 152 SG CYS A 10 8.769 1.505 2.869 1.00 0.00 S ATOM 0 H CYS A 10 12.972 1.794 3.150 1.00 0.00 H new ATOM 0 HA CYS A 10 11.201 1.286 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.951 0.663 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.798 2.354 3.818 1.00 0.00 H new ATOM 157 N PRO A 11 10.778 3.639 0.050 1.00 0.00 N ATOM 158 CA PRO A 11 10.620 4.999 -0.516 1.00 0.00 C ATOM 159 C PRO A 11 9.497 5.825 0.115 1.00 0.00 C ATOM 160 O PRO A 11 9.442 7.048 -0.030 1.00 0.00 O ATOM 161 CB PRO A 11 10.344 4.760 -2.006 1.00 0.00 C ATOM 162 CG PRO A 11 10.039 3.296 -2.150 1.00 0.00 C ATOM 163 CD PRO A 11 10.659 2.592 -0.989 1.00 0.00 C ATOM 0 HA PRO A 11 11.514 5.591 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.506 5.367 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.207 5.038 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.962 3.129 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.438 2.912 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.039 1.762 -0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.633 2.177 -1.249 1.00 0.00 H new ATOM 171 N LEU A 12 8.626 5.169 0.831 1.00 0.00 N ATOM 172 CA LEU A 12 7.498 5.841 1.401 1.00 0.00 C ATOM 173 C LEU A 12 7.793 6.372 2.819 1.00 0.00 C ATOM 174 O LEU A 12 7.388 7.477 3.159 1.00 0.00 O ATOM 175 CB LEU A 12 6.279 4.935 1.419 1.00 0.00 C ATOM 176 CG LEU A 12 5.976 4.110 0.151 1.00 0.00 C ATOM 177 CD1 LEU A 12 6.264 4.860 -1.148 1.00 0.00 C ATOM 178 CD2 LEU A 12 6.641 2.757 0.179 1.00 0.00 C ATOM 0 H LEU A 12 8.678 4.170 1.032 1.00 0.00 H new ATOM 0 HA LEU A 12 7.287 6.701 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.390 4.240 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.406 5.552 1.633 1.00 0.00 H new ATOM 0 HG LEU A 12 4.899 3.942 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.028 4.220 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.652 5.761 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.318 5.136 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.398 2.213 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.721 2.884 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.285 2.194 1.042 1.00 0.00 H new ATOM 190 N CYS A 13 8.504 5.592 3.646 1.00 0.00 N ATOM 191 CA CYS A 13 8.806 6.056 5.026 1.00 0.00 C ATOM 192 C CYS A 13 10.279 6.417 5.174 1.00 0.00 C ATOM 193 O CYS A 13 10.676 7.158 6.073 1.00 0.00 O ATOM 194 CB CYS A 13 8.454 4.983 6.069 1.00 0.00 C ATOM 195 SG CYS A 13 9.324 3.405 5.867 1.00 0.00 S ATOM 0 H CYS A 13 8.872 4.672 3.406 1.00 0.00 H new ATOM 0 HA CYS A 13 8.194 6.941 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.672 5.377 7.062 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.381 4.797 6.029 1.00 0.00 H new ATOM 200 N GLU A 14 11.057 5.880 4.274 1.00 0.00 N ATOM 201 CA GLU A 14 12.489 5.961 4.258 1.00 0.00 C ATOM 202 C GLU A 14 13.160 5.337 5.455 1.00 0.00 C ATOM 203 O GLU A 14 14.031 5.921 6.094 1.00 0.00 O ATOM 204 CB GLU A 14 13.045 7.314 3.857 1.00 0.00 C ATOM 205 CG GLU A 14 12.813 7.600 2.392 1.00 0.00 C ATOM 206 CD GLU A 14 13.494 8.839 1.926 1.00 0.00 C ATOM 207 OE1 GLU A 14 14.737 8.854 1.891 1.00 0.00 O ATOM 208 OE2 GLU A 14 12.804 9.809 1.529 1.00 0.00 O1- ATOM 0 H GLU A 14 10.686 5.345 3.489 1.00 0.00 H new ATOM 0 HA GLU A 14 12.775 5.314 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.577 8.093 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.114 7.346 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.166 6.754 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.742 7.690 2.210 1.00 0.00 H new ATOM 215 N LEU A 15 12.701 4.152 5.785 1.00 0.00 N ATOM 216 CA LEU A 15 13.337 3.328 6.786 1.00 0.00 C ATOM 217 C LEU A 15 14.543 2.730 6.104 1.00 0.00 C ATOM 218 O LEU A 15 14.453 2.304 4.945 1.00 0.00 O ATOM 219 CB LEU A 15 12.345 2.252 7.277 1.00 0.00 C ATOM 220 CG LEU A 15 12.673 1.474 8.573 1.00 0.00 C ATOM 221 CD1 LEU A 15 11.460 0.712 9.013 1.00 0.00 C ATOM 222 CD2 LEU A 15 13.814 0.491 8.391 1.00 0.00 C ATOM 0 H LEU A 15 11.872 3.731 5.365 1.00 0.00 H new ATOM 0 HA LEU A 15 13.641 3.887 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.377 2.734 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.225 1.523 6.476 1.00 0.00 H new ATOM 0 HG LEU A 15 12.976 2.208 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.687 0.162 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.642 1.407 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.167 0.011 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.001 -0.027 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.549 -0.236 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.712 1.028 8.088 1.00 0.00 H new ATOM 234 N MET A 16 15.631 2.714 6.795 1.00 0.00 N ATOM 235 CA MET A 16 16.907 2.342 6.216 1.00 0.00 C ATOM 236 C MET A 16 17.178 0.868 6.369 1.00 0.00 C ATOM 237 O MET A 16 16.900 0.283 7.420 1.00 0.00 O ATOM 238 CB MET A 16 18.030 3.159 6.839 1.00 0.00 C ATOM 239 CG MET A 16 18.018 4.640 6.482 1.00 0.00 C ATOM 240 SD MET A 16 19.429 5.545 7.181 1.00 0.00 S ATOM 241 CE MET A 16 19.154 5.329 8.946 1.00 0.00 C ATOM 0 H MET A 16 15.676 2.958 7.784 1.00 0.00 H new ATOM 0 HA MET A 16 16.863 2.559 5.149 1.00 0.00 H new ATOM 0 HB2 MET A 16 17.973 3.061 7.923 1.00 0.00 H new ATOM 0 HB3 MET A 16 18.985 2.733 6.530 1.00 0.00 H new ATOM 0 HG2 MET A 16 18.025 4.747 5.397 1.00 0.00 H new ATOM 0 HG3 MET A 16 17.091 5.088 6.841 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.757 6.049 9.499 1.00 0.00 H new ATOM 0 HE2 MET A 16 18.100 5.489 9.172 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.438 4.318 9.237 1.00 0.00 H new ATOM 251 N PHE A 17 17.708 0.265 5.334 1.00 0.00 N ATOM 252 CA PHE A 17 17.996 -1.144 5.346 1.00 0.00 C ATOM 253 C PHE A 17 19.457 -1.378 5.017 1.00 0.00 C ATOM 254 O PHE A 17 20.087 -0.553 4.356 1.00 0.00 O ATOM 255 CB PHE A 17 17.115 -1.881 4.329 1.00 0.00 C ATOM 256 CG PHE A 17 15.657 -1.649 4.534 1.00 0.00 C ATOM 257 CD1 PHE A 17 14.996 -2.209 5.611 1.00 0.00 C ATOM 258 CD2 PHE A 17 14.951 -0.856 3.661 1.00 0.00 C ATOM 259 CE1 PHE A 17 13.656 -1.977 5.805 1.00 0.00 C ATOM 260 CE2 PHE A 17 13.616 -0.628 3.849 1.00 0.00 C ATOM 261 CZ PHE A 17 12.969 -1.182 4.920 1.00 0.00 C ATOM 0 H PHE A 17 17.951 0.737 4.463 1.00 0.00 H new ATOM 0 HA PHE A 17 17.784 -1.531 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.389 -1.562 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.318 -2.950 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.537 -2.834 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 17 15.456 -0.408 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 17 13.145 -2.417 6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.071 -0.010 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.916 -0.994 5.070 1.00 0.00 H new ATOM 271 N PRO A 18 20.046 -2.444 5.563 1.00 0.00 N ATOM 272 CA PRO A 18 21.399 -2.859 5.213 1.00 0.00 C ATOM 273 C PRO A 18 21.388 -3.726 3.937 1.00 0.00 C ATOM 274 O PRO A 18 20.314 -4.159 3.478 1.00 0.00 O ATOM 275 CB PRO A 18 21.803 -3.711 6.427 1.00 0.00 C ATOM 276 CG PRO A 18 20.532 -4.319 6.896 1.00 0.00 C ATOM 277 CD PRO A 18 19.457 -3.304 6.614 1.00 0.00 C ATOM 0 HA PRO A 18 22.072 -2.026 5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 18 22.530 -4.475 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 18 22.262 -3.101 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.331 -5.255 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.580 -4.551 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.538 -3.780 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 18 19.206 -2.730 7.506 1.00 0.00 H new ATOM 285 N PRO A 19 22.568 -4.037 3.356 1.00 0.00 N ATOM 286 CA PRO A 19 22.675 -4.911 2.165 1.00 0.00 C ATOM 287 C PRO A 19 22.367 -6.368 2.469 1.00 0.00 C ATOM 288 O PRO A 19 22.518 -7.243 1.609 1.00 0.00 O ATOM 289 CB PRO A 19 24.136 -4.754 1.735 1.00 0.00 C ATOM 290 CG PRO A 19 24.855 -4.368 2.978 1.00 0.00 C ATOM 291 CD PRO A 19 23.900 -3.518 3.763 1.00 0.00 C ATOM 0 HA PRO A 19 21.954 -4.629 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.529 -5.683 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.242 -3.992 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.151 -5.249 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 19 25.767 -3.818 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 19 24.060 -3.619 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.011 -2.461 3.522 1.00 0.00 H new ATOM 299 N ASN A 20 21.919 -6.628 3.665 1.00 0.00 N ATOM 300 CA ASN A 20 21.640 -7.967 4.067 1.00 0.00 C ATOM 301 C ASN A 20 20.157 -8.159 4.271 1.00 0.00 C ATOM 302 O ASN A 20 19.721 -9.248 4.610 1.00 0.00 O ATOM 303 CB ASN A 20 22.360 -8.333 5.374 1.00 0.00 C ATOM 304 CG ASN A 20 23.848 -8.073 5.355 1.00 0.00 C ATOM 305 OD1 ASN A 20 24.300 -6.981 5.725 1.00 0.00 O ATOM 306 ND2 ASN A 20 24.617 -9.041 4.948 1.00 0.00 N ATOM 0 H ASN A 20 21.740 -5.921 4.379 1.00 0.00 H new ATOM 0 HA ASN A 20 22.001 -8.617 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.914 -7.767 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.190 -9.388 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 20 25.629 -8.914 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.208 -9.927 4.651 1.00 0.00 H new ATOM 313 N TYR A 21 19.371 -7.111 4.076 1.00 0.00 N ATOM 314 CA TYR A 21 17.998 -7.188 4.319 1.00 0.00 C ATOM 315 C TYR A 21 17.312 -7.935 3.219 1.00 0.00 C ATOM 316 O TYR A 21 17.672 -7.829 2.033 1.00 0.00 O ATOM 317 CB TYR A 21 17.434 -5.793 4.513 1.00 0.00 C ATOM 318 CG TYR A 21 15.966 -5.731 4.757 1.00 0.00 C ATOM 319 CD1 TYR A 21 15.457 -5.999 6.004 1.00 0.00 C ATOM 320 CD2 TYR A 21 15.100 -5.416 3.745 1.00 0.00 C ATOM 321 CE1 TYR A 21 14.096 -5.961 6.248 1.00 0.00 C ATOM 322 CE2 TYR A 21 13.742 -5.376 3.961 1.00 0.00 C ATOM 323 CZ TYR A 21 13.240 -5.646 5.214 1.00 0.00 C ATOM 324 OH TYR A 21 11.883 -5.617 5.421 1.00 0.00 O ATOM 0 H TYR A 21 19.696 -6.202 3.746 1.00 0.00 H new ATOM 0 HA TYR A 21 17.818 -7.747 5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 21 17.946 -5.325 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 21 17.665 -5.199 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 21 16.133 -6.244 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 21 15.489 -5.195 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.710 -6.175 7.234 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.072 -5.133 3.150 1.00 0.00 H new ATOM 0 HH TYR A 21 11.430 -5.376 4.586 1.00 0.00 H new ATOM 334 N ASP A 22 16.344 -8.681 3.629 1.00 0.00 N ATOM 335 CA ASP A 22 15.557 -9.514 2.755 1.00 0.00 C ATOM 336 C ASP A 22 14.817 -8.680 1.766 1.00 0.00 C ATOM 337 O ASP A 22 13.884 -7.965 2.105 1.00 0.00 O ATOM 338 CB ASP A 22 14.568 -10.400 3.507 1.00 0.00 C ATOM 339 CG ASP A 22 15.189 -11.518 4.296 1.00 0.00 C ATOM 340 OD1 ASP A 22 15.797 -12.419 3.695 1.00 0.00 O ATOM 341 OD2 ASP A 22 15.005 -11.564 5.517 1.00 0.00 O1- ATOM 0 H ASP A 22 16.062 -8.737 4.608 1.00 0.00 H new ATOM 0 HA ASP A 22 16.261 -10.169 2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.987 -9.775 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.868 -10.827 2.789 1.00 0.00 H new ATOM 346 N GLN A 23 15.245 -8.777 0.559 1.00 0.00 N ATOM 347 CA GLN A 23 14.694 -8.049 -0.556 1.00 0.00 C ATOM 348 C GLN A 23 13.236 -8.331 -0.767 1.00 0.00 C ATOM 349 O GLN A 23 12.468 -7.450 -1.150 1.00 0.00 O ATOM 350 CB GLN A 23 15.437 -8.425 -1.787 1.00 0.00 C ATOM 351 CG GLN A 23 16.875 -7.965 -1.810 1.00 0.00 C ATOM 352 CD GLN A 23 17.033 -6.487 -1.512 1.00 0.00 C ATOM 353 OE1 GLN A 23 16.987 -5.655 -2.406 1.00 0.00 O ATOM 354 NE2 GLN A 23 17.251 -6.156 -0.261 1.00 0.00 N ATOM 0 H GLN A 23 16.019 -9.387 0.297 1.00 0.00 H new ATOM 0 HA GLN A 23 14.795 -6.986 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.413 -9.509 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.920 -8.007 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.445 -8.539 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.303 -8.180 -2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.283 -6.877 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.389 -5.177 -0.009 1.00 0.00 H new ATOM 363 N SER A 24 12.853 -9.544 -0.517 1.00 0.00 N ATOM 364 CA SER A 24 11.484 -9.933 -0.674 1.00 0.00 C ATOM 365 C SER A 24 10.637 -9.247 0.402 1.00 0.00 C ATOM 366 O SER A 24 9.491 -8.878 0.177 1.00 0.00 O ATOM 367 CB SER A 24 11.349 -11.467 -0.626 1.00 0.00 C ATOM 368 OG SER A 24 10.000 -11.900 -0.790 1.00 0.00 O ATOM 0 H SER A 24 13.474 -10.289 -0.201 1.00 0.00 H new ATOM 0 HA SER A 24 11.119 -9.613 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.967 -11.908 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.732 -11.833 0.327 1.00 0.00 H new ATOM 0 HG SER A 24 9.964 -12.879 -0.754 1.00 0.00 H new ATOM 374 N LYS A 25 11.251 -9.006 1.543 1.00 0.00 N ATOM 375 CA LYS A 25 10.585 -8.369 2.650 1.00 0.00 C ATOM 376 C LYS A 25 10.505 -6.874 2.420 1.00 0.00 C ATOM 377 O LYS A 25 9.581 -6.231 2.880 1.00 0.00 O ATOM 378 CB LYS A 25 11.293 -8.688 3.959 1.00 0.00 C ATOM 379 CG LYS A 25 11.306 -10.169 4.325 1.00 0.00 C ATOM 380 CD LYS A 25 9.909 -10.754 4.485 1.00 0.00 C ATOM 381 CE LYS A 25 9.136 -10.084 5.607 1.00 0.00 C ATOM 382 NZ LYS A 25 7.837 -10.738 5.835 1.00 0.00 N1+ ATOM 0 H LYS A 25 12.225 -9.248 1.724 1.00 0.00 H new ATOM 0 HA LYS A 25 9.569 -8.758 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.322 -8.333 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.811 -8.132 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.840 -10.724 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.859 -10.303 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.360 -10.642 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.984 -11.823 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.725 -10.114 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.977 -9.033 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.336 -10.255 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.266 -10.688 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.990 -11.734 6.091 1.00 0.00 H new ATOM 396 N PHE A 26 11.467 -6.338 1.668 1.00 0.00 N ATOM 397 CA PHE A 26 11.473 -4.926 1.290 1.00 0.00 C ATOM 398 C PHE A 26 10.195 -4.614 0.516 1.00 0.00 C ATOM 399 O PHE A 26 9.494 -3.649 0.801 1.00 0.00 O ATOM 400 CB PHE A 26 12.722 -4.605 0.428 1.00 0.00 C ATOM 401 CG PHE A 26 12.769 -3.189 -0.088 1.00 0.00 C ATOM 402 CD1 PHE A 26 13.145 -2.147 0.730 1.00 0.00 C ATOM 403 CD2 PHE A 26 12.420 -2.909 -1.395 1.00 0.00 C ATOM 404 CE1 PHE A 26 13.164 -0.845 0.256 1.00 0.00 C ATOM 405 CE2 PHE A 26 12.441 -1.617 -1.877 1.00 0.00 C ATOM 406 CZ PHE A 26 12.811 -0.580 -1.051 1.00 0.00 C ATOM 0 H PHE A 26 12.260 -6.868 1.306 1.00 0.00 H new ATOM 0 HA PHE A 26 11.513 -4.308 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.617 -4.794 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.751 -5.290 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.428 -2.347 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 26 12.126 -3.715 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.455 -0.037 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.167 -1.419 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.825 0.434 -1.423 1.00 0.00 H new ATOM 416 N GLU A 27 9.882 -5.499 -0.413 1.00 0.00 N ATOM 417 CA GLU A 27 8.705 -5.409 -1.261 1.00 0.00 C ATOM 418 C GLU A 27 7.443 -5.541 -0.431 1.00 0.00 C ATOM 419 O GLU A 27 6.452 -4.861 -0.686 1.00 0.00 O ATOM 420 CB GLU A 27 8.743 -6.501 -2.326 1.00 0.00 C ATOM 421 CG GLU A 27 9.925 -6.406 -3.266 1.00 0.00 C ATOM 422 CD GLU A 27 9.931 -5.124 -4.049 1.00 0.00 C ATOM 423 OE1 GLU A 27 9.262 -5.052 -5.113 1.00 0.00 O ATOM 424 OE2 GLU A 27 10.601 -4.172 -3.647 1.00 0.00 O1- ATOM 0 H GLU A 27 10.454 -6.322 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 27 8.702 -4.434 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.761 -7.473 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.824 -6.456 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.849 -6.483 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.906 -7.250 -3.956 1.00 0.00 H new ATOM 431 N GLU A 28 7.496 -6.413 0.561 1.00 0.00 N ATOM 432 CA GLU A 28 6.389 -6.602 1.508 1.00 0.00 C ATOM 433 C GLU A 28 6.173 -5.368 2.289 1.00 0.00 C ATOM 434 O GLU A 28 5.042 -4.980 2.549 1.00 0.00 O ATOM 435 CB GLU A 28 6.664 -7.761 2.451 1.00 0.00 C ATOM 436 CG GLU A 28 6.749 -9.124 1.799 1.00 0.00 C ATOM 437 CD GLU A 28 5.415 -9.625 1.328 1.00 0.00 C ATOM 438 OE1 GLU A 28 4.595 -10.046 2.181 1.00 0.00 O1- ATOM 439 OE2 GLU A 28 5.157 -9.623 0.115 1.00 0.00 O ATOM 0 H GLU A 28 8.301 -7.013 0.740 1.00 0.00 H new ATOM 0 HA GLU A 28 5.492 -6.832 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.601 -7.568 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.878 -7.787 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.434 -9.075 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.170 -9.836 2.509 1.00 0.00 H new ATOM 446 N HIS A 29 7.232 -4.740 2.632 1.00 0.00 N ATOM 447 CA HIS A 29 7.142 -3.570 3.395 1.00 0.00 C ATOM 448 C HIS A 29 6.599 -2.427 2.527 1.00 0.00 C ATOM 449 O HIS A 29 5.737 -1.666 2.964 1.00 0.00 O ATOM 450 CB HIS A 29 8.487 -3.271 4.112 1.00 0.00 C ATOM 451 CG HIS A 29 8.589 -1.983 4.897 1.00 0.00 C ATOM 452 ND1 HIS A 29 9.779 -1.474 5.349 1.00 0.00 N ATOM 453 CD2 HIS A 29 7.651 -1.100 5.273 1.00 0.00 C ATOM 454 CE1 HIS A 29 9.529 -0.301 5.952 1.00 0.00 C ATOM 455 NE2 HIS A 29 8.238 -0.024 5.935 1.00 0.00 N ATOM 0 H HIS A 29 8.181 -5.026 2.390 1.00 0.00 H new ATOM 0 HA HIS A 29 6.423 -3.697 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.696 -4.097 4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 29 9.276 -3.270 3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.592 -1.208 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.284 0.333 6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.773 0.797 6.322 1.00 0.00 H new ATOM 463 N VAL A 30 7.049 -2.353 1.294 1.00 0.00 N ATOM 464 CA VAL A 30 6.546 -1.334 0.369 1.00 0.00 C ATOM 465 C VAL A 30 5.072 -1.564 0.094 1.00 0.00 C ATOM 466 O VAL A 30 4.293 -0.637 0.176 1.00 0.00 O ATOM 467 CB VAL A 30 7.380 -1.278 -0.953 1.00 0.00 C ATOM 468 CG1 VAL A 30 6.833 -0.245 -1.931 1.00 0.00 C ATOM 469 CG2 VAL A 30 8.830 -0.951 -0.633 1.00 0.00 C ATOM 0 H VAL A 30 7.756 -2.975 0.901 1.00 0.00 H new ATOM 0 HA VAL A 30 6.660 -0.360 0.844 1.00 0.00 H new ATOM 0 HB VAL A 30 7.310 -2.257 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.443 -0.241 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.804 -0.497 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.860 0.742 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.407 -0.913 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.883 0.016 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.241 -1.721 0.020 1.00 0.00 H new ATOM 479 N GLU A 31 4.675 -2.805 -0.118 1.00 0.00 N ATOM 480 CA GLU A 31 3.282 -3.088 -0.413 1.00 0.00 C ATOM 481 C GLU A 31 2.401 -2.956 0.836 1.00 0.00 C ATOM 482 O GLU A 31 1.183 -2.893 0.739 1.00 0.00 O ATOM 483 CB GLU A 31 3.098 -4.448 -1.067 1.00 0.00 C ATOM 484 CG GLU A 31 3.268 -5.626 -0.176 1.00 0.00 C ATOM 485 CD GLU A 31 2.912 -6.885 -0.892 1.00 0.00 C ATOM 486 OE1 GLU A 31 3.608 -7.247 -1.876 1.00 0.00 O1- ATOM 487 OE2 GLU A 31 1.892 -7.510 -0.530 1.00 0.00 O ATOM 0 H GLU A 31 5.286 -3.622 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 31 2.958 -2.336 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.100 -4.488 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.809 -4.533 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.300 -5.679 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.639 -5.514 0.707 1.00 0.00 H new ATOM 494 N SER A 32 3.026 -2.916 1.997 1.00 0.00 N ATOM 495 CA SER A 32 2.314 -2.713 3.233 1.00 0.00 C ATOM 496 C SER A 32 1.951 -1.221 3.363 1.00 0.00 C ATOM 497 O SER A 32 1.040 -0.841 4.107 1.00 0.00 O ATOM 498 CB SER A 32 3.174 -3.197 4.419 1.00 0.00 C ATOM 499 OG SER A 32 2.442 -3.212 5.638 1.00 0.00 O ATOM 0 H SER A 32 4.035 -3.023 2.105 1.00 0.00 H new ATOM 0 HA SER A 32 1.392 -3.294 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.549 -4.199 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.042 -2.547 4.526 1.00 0.00 H new ATOM 0 HG SER A 32 3.021 -3.526 6.364 1.00 0.00 H new ATOM 505 N HIS A 33 2.666 -0.392 2.610 1.00 0.00 N ATOM 506 CA HIS A 33 2.406 1.037 2.543 1.00 0.00 C ATOM 507 C HIS A 33 1.286 1.329 1.603 1.00 0.00 C ATOM 508 O HIS A 33 0.608 2.364 1.717 1.00 0.00 O ATOM 509 CB HIS A 33 3.645 1.807 2.125 1.00 0.00 C ATOM 510 CG HIS A 33 4.558 2.135 3.250 1.00 0.00 C ATOM 511 ND1 HIS A 33 4.782 3.410 3.684 1.00 0.00 N ATOM 512 CD2 HIS A 33 5.274 1.347 4.050 1.00 0.00 C ATOM 513 CE1 HIS A 33 5.620 3.367 4.710 1.00 0.00 C ATOM 514 NE2 HIS A 33 5.970 2.127 4.990 1.00 0.00 N ATOM 0 H HIS A 33 3.446 -0.696 2.027 1.00 0.00 H new ATOM 0 HA HIS A 33 2.122 1.362 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.192 1.222 1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.338 2.732 1.637 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.373 4.255 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.314 0.270 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.971 4.236 5.247 1.00 0.00 H new ATOM 522 N TRP A 34 1.104 0.449 0.668 1.00 0.00 N ATOM 523 CA TRP A 34 0.085 0.524 -0.244 1.00 0.00 C ATOM 524 C TRP A 34 -1.216 0.239 0.476 1.00 0.00 C ATOM 525 O TRP A 34 -1.349 -0.761 1.188 1.00 0.00 O ATOM 526 CB TRP A 34 0.357 -0.510 -1.274 1.00 0.00 C ATOM 527 CG TRP A 34 1.566 -0.353 -2.062 1.00 0.00 C ATOM 528 CD1 TRP A 34 2.605 0.493 -1.914 1.00 0.00 C ATOM 529 CD2 TRP A 34 1.859 -1.163 -3.124 1.00 0.00 C ATOM 530 NE1 TRP A 34 3.483 0.264 -2.885 1.00 0.00 N ATOM 531 CE2 TRP A 34 3.050 -0.759 -3.658 1.00 0.00 C ATOM 532 CE3 TRP A 34 1.179 -2.182 -3.659 1.00 0.00 C ATOM 533 CZ2 TRP A 34 3.606 -1.374 -4.768 1.00 0.00 C ATOM 534 CZ3 TRP A 34 1.686 -2.828 -4.756 1.00 0.00 C ATOM 535 CH2 TRP A 34 2.899 -2.417 -5.309 1.00 0.00 C ATOM 0 H TRP A 34 1.707 -0.364 0.543 1.00 0.00 H new ATOM 0 HA TRP A 34 0.014 1.506 -0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 34 0.400 -1.480 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -0.492 -0.539 -1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.707 1.234 -1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.351 0.781 -3.026 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.238 -2.493 -3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.547 -1.049 -5.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.146 -3.655 -5.193 1.00 0.00 H new ATOM 0 HH2 TRP A 34 3.288 -2.929 -6.177 1.00 0.00 H new ATOM 546 N LYS A 35 -2.134 1.126 0.309 1.00 0.00 N ATOM 547 CA LYS A 35 -3.399 1.089 0.987 1.00 0.00 C ATOM 548 C LYS A 35 -4.246 -0.026 0.480 1.00 0.00 C ATOM 549 O LYS A 35 -4.827 0.038 -0.579 1.00 0.00 O ATOM 550 CB LYS A 35 -4.141 2.432 0.932 1.00 0.00 C ATOM 551 CG LYS A 35 -3.309 3.668 1.285 1.00 0.00 C ATOM 552 CD LYS A 35 -2.724 3.599 2.683 1.00 0.00 C ATOM 553 CE LYS A 35 -2.006 4.895 3.049 1.00 0.00 C ATOM 554 NZ LYS A 35 -2.921 6.068 3.068 1.00 0.00 N1+ ATOM 0 H LYS A 35 -2.030 1.923 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.187 0.901 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.543 2.563 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.992 2.384 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.500 3.776 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.933 4.558 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.519 3.406 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.026 2.764 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.541 4.785 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.203 5.076 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.518 6.813 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.038 6.433 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.847 5.780 3.444 1.00 0.00 H new ATOM 568 N VAL A 36 -4.293 -1.018 1.263 1.00 0.00 N ATOM 569 CA VAL A 36 -5.004 -2.205 0.971 1.00 0.00 C ATOM 570 C VAL A 36 -6.407 -2.159 1.572 1.00 0.00 C ATOM 571 O VAL A 36 -6.597 -1.925 2.778 1.00 0.00 O ATOM 572 CB VAL A 36 -4.190 -3.436 1.450 1.00 0.00 C ATOM 573 CG1 VAL A 36 -3.885 -3.381 2.941 1.00 0.00 C ATOM 574 CG2 VAL A 36 -4.838 -4.753 1.051 1.00 0.00 C ATOM 0 H VAL A 36 -3.820 -1.037 2.167 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.133 -2.295 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.233 -3.390 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.314 -4.264 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.304 -2.485 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.819 -3.354 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.228 -5.582 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.833 -4.817 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.917 -4.805 -0.035 1.00 0.00 H new ATOM 584 N CYS A 37 -7.384 -2.331 0.714 1.00 0.00 N ATOM 585 CA CYS A 37 -8.732 -2.276 1.073 1.00 0.00 C ATOM 586 C CYS A 37 -9.114 -3.537 1.812 1.00 0.00 C ATOM 587 O CYS A 37 -8.813 -4.633 1.345 1.00 0.00 O ATOM 588 CB CYS A 37 -9.562 -2.104 -0.175 1.00 0.00 C ATOM 589 SG CYS A 37 -11.304 -2.311 0.118 1.00 0.00 S ATOM 0 H CYS A 37 -7.231 -2.517 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.913 -1.430 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -9.384 -1.112 -0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.236 -2.826 -0.924 1.00 0.00 H new ATOM 594 N PRO A 38 -9.824 -3.404 2.937 1.00 0.00 N ATOM 595 CA PRO A 38 -10.176 -4.533 3.788 1.00 0.00 C ATOM 596 C PRO A 38 -11.037 -5.580 3.070 1.00 0.00 C ATOM 597 O PRO A 38 -10.882 -6.778 3.290 1.00 0.00 O ATOM 598 CB PRO A 38 -10.953 -3.892 4.952 1.00 0.00 C ATOM 599 CG PRO A 38 -11.391 -2.563 4.451 1.00 0.00 C ATOM 600 CD PRO A 38 -10.354 -2.127 3.464 1.00 0.00 C ATOM 0 HA PRO A 38 -9.289 -5.080 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.808 -4.505 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.323 -3.790 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.372 -2.628 3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.476 -1.847 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.785 -1.514 2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.573 -1.533 3.938 1.00 0.00 H new ATOM 608 N MET A 39 -11.928 -5.137 2.196 1.00 0.00 N ATOM 609 CA MET A 39 -12.805 -6.045 1.535 1.00 0.00 C ATOM 610 C MET A 39 -12.334 -6.383 0.131 1.00 0.00 C ATOM 611 O MET A 39 -12.686 -7.421 -0.416 1.00 0.00 O ATOM 612 CB MET A 39 -14.208 -5.477 1.510 1.00 0.00 C ATOM 613 CG MET A 39 -15.223 -6.479 1.018 1.00 0.00 C ATOM 614 SD MET A 39 -16.935 -6.034 1.381 1.00 0.00 S ATOM 615 CE MET A 39 -17.081 -4.480 0.535 1.00 0.00 C ATOM 0 H MET A 39 -12.050 -4.157 1.940 1.00 0.00 H new ATOM 0 HA MET A 39 -12.804 -6.978 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 39 -14.482 -5.148 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.230 -4.596 0.868 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.110 -6.595 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 39 -15.008 -7.448 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 39 -18.019 -4.001 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 39 -16.247 -3.835 0.813 1.00 0.00 H new ATOM 0 HE3 MET A 39 -17.066 -4.649 -0.542 1.00 0.00 H new ATOM 625 N CYS A 40 -11.509 -5.544 -0.448 1.00 0.00 N ATOM 626 CA CYS A 40 -11.119 -5.779 -1.814 1.00 0.00 C ATOM 627 C CYS A 40 -9.761 -6.449 -1.904 1.00 0.00 C ATOM 628 O CYS A 40 -9.482 -7.171 -2.863 1.00 0.00 O ATOM 629 CB CYS A 40 -11.070 -4.472 -2.537 1.00 0.00 C ATOM 630 SG CYS A 40 -12.597 -3.679 -2.902 1.00 0.00 S ATOM 0 H CYS A 40 -11.106 -4.716 -0.009 1.00 0.00 H new ATOM 0 HA CYS A 40 -11.853 -6.445 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -10.468 -3.783 -1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.541 -4.629 -3.477 1.00 0.00 H new ATOM 635 N SER A 41 -8.920 -6.188 -0.905 1.00 0.00 N ATOM 636 CA SER A 41 -7.541 -6.644 -0.862 1.00 0.00 C ATOM 637 C SER A 41 -6.720 -5.995 -1.976 1.00 0.00 C ATOM 638 O SER A 41 -5.642 -6.461 -2.348 1.00 0.00 O ATOM 639 CB SER A 41 -7.455 -8.158 -0.886 1.00 0.00 C ATOM 640 OG SER A 41 -8.097 -8.713 0.250 1.00 0.00 O ATOM 0 H SER A 41 -9.189 -5.641 -0.087 1.00 0.00 H new ATOM 0 HA SER A 41 -7.106 -6.326 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.919 -8.540 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.410 -8.468 -0.907 1.00 0.00 H new ATOM 0 HG SER A 41 -8.033 -9.690 0.217 1.00 0.00 H new ATOM 646 N GLU A 42 -7.216 -4.872 -2.451 1.00 0.00 N ATOM 647 CA GLU A 42 -6.603 -4.123 -3.415 1.00 0.00 C ATOM 648 C GLU A 42 -5.847 -3.095 -2.745 1.00 0.00 C ATOM 649 O GLU A 42 -6.312 -2.461 -1.806 1.00 0.00 O ATOM 650 CB GLU A 42 -7.590 -3.516 -4.369 1.00 0.00 C ATOM 651 CG GLU A 42 -8.232 -4.517 -5.261 1.00 0.00 C ATOM 652 CD GLU A 42 -9.087 -3.878 -6.322 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.257 -3.607 -6.067 1.00 0.00 O1- ATOM 654 OE2 GLU A 42 -8.573 -3.628 -7.445 1.00 0.00 O ATOM 0 H GLU A 42 -8.100 -4.477 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.952 -4.760 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.362 -2.996 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.084 -2.767 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.461 -5.123 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.844 -5.192 -4.663 1.00 0.00 H new ATOM 661 N GLN A 43 -4.731 -2.985 -3.204 1.00 0.00 N ATOM 662 CA GLN A 43 -3.727 -2.125 -2.699 1.00 0.00 C ATOM 663 C GLN A 43 -3.637 -0.918 -3.603 1.00 0.00 C ATOM 664 O GLN A 43 -3.517 -1.039 -4.824 1.00 0.00 O ATOM 665 CB GLN A 43 -2.433 -2.904 -2.739 1.00 0.00 C ATOM 666 CG GLN A 43 -2.475 -4.190 -1.933 1.00 0.00 C ATOM 667 CD GLN A 43 -1.180 -4.968 -1.983 1.00 0.00 C ATOM 668 OE1 GLN A 43 -0.979 -5.802 -2.857 1.00 0.00 O ATOM 669 NE2 GLN A 43 -0.302 -4.716 -1.061 1.00 0.00 N ATOM 0 H GLN A 43 -4.421 -3.521 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.941 -1.790 -1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.193 -3.142 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.627 -2.274 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.709 -3.953 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.283 -4.819 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.499 -4.015 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.585 -5.219 -1.051 1.00 0.00 H new ATOM 678 N PHE A 44 -3.739 0.203 -3.004 1.00 0.00 N ATOM 679 CA PHE A 44 -3.639 1.482 -3.638 1.00 0.00 C ATOM 680 C PHE A 44 -2.286 2.049 -3.302 1.00 0.00 C ATOM 681 O PHE A 44 -1.678 1.588 -2.371 1.00 0.00 O ATOM 682 CB PHE A 44 -4.746 2.387 -3.094 1.00 0.00 C ATOM 683 CG PHE A 44 -6.124 2.044 -3.587 1.00 0.00 C ATOM 684 CD1 PHE A 44 -6.832 0.983 -3.041 1.00 0.00 C ATOM 685 CD2 PHE A 44 -6.706 2.771 -4.610 1.00 0.00 C ATOM 686 CE1 PHE A 44 -8.088 0.660 -3.504 1.00 0.00 C ATOM 687 CE2 PHE A 44 -7.962 2.452 -5.078 1.00 0.00 C ATOM 688 CZ PHE A 44 -8.653 1.396 -4.526 1.00 0.00 C ATOM 0 H PHE A 44 -3.904 0.271 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.751 1.403 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.739 2.335 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.522 3.419 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.393 0.403 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.169 3.599 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.630 -0.167 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.404 3.029 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.637 1.144 -4.893 1.00 0.00 H new ATOM 698 N PRO A 45 -1.779 3.041 -4.032 1.00 0.00 N ATOM 699 CA PRO A 45 -0.469 3.602 -3.737 1.00 0.00 C ATOM 700 C PRO A 45 -0.423 4.255 -2.333 1.00 0.00 C ATOM 701 O PRO A 45 -1.463 4.608 -1.759 1.00 0.00 O ATOM 702 CB PRO A 45 -0.257 4.646 -4.841 1.00 0.00 C ATOM 703 CG PRO A 45 -1.614 4.950 -5.356 1.00 0.00 C ATOM 704 CD PRO A 45 -2.416 3.699 -5.184 1.00 0.00 C ATOM 0 HA PRO A 45 0.310 2.840 -3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.225 5.542 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.386 4.258 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.062 5.778 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.575 5.246 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.466 3.918 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.380 3.073 -6.075 1.00 0.00 H new ATOM 712 N PRO A 46 0.780 4.420 -1.770 1.00 0.00 N ATOM 713 CA PRO A 46 0.996 5.011 -0.419 1.00 0.00 C ATOM 714 C PRO A 46 0.412 6.417 -0.312 1.00 0.00 C ATOM 715 O PRO A 46 -0.001 6.871 0.761 1.00 0.00 O ATOM 716 CB PRO A 46 2.528 5.109 -0.330 1.00 0.00 C ATOM 717 CG PRO A 46 3.000 4.963 -1.734 1.00 0.00 C ATOM 718 CD PRO A 46 2.049 4.047 -2.394 1.00 0.00 C ATOM 0 HA PRO A 46 0.524 4.419 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.839 6.063 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.938 4.327 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.025 5.929 -2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.013 4.561 -1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.029 4.189 -3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.299 3.001 -2.215 1.00 0.00 H new ATOM 726 N ASP A 47 0.368 7.075 -1.442 1.00 0.00 N ATOM 727 CA ASP A 47 -0.099 8.433 -1.571 1.00 0.00 C ATOM 728 C ASP A 47 -1.603 8.529 -1.724 1.00 0.00 C ATOM 729 O ASP A 47 -2.138 9.624 -1.917 1.00 0.00 O ATOM 730 CB ASP A 47 0.606 9.133 -2.732 1.00 0.00 C ATOM 731 CG ASP A 47 0.534 8.371 -4.024 1.00 0.00 C ATOM 732 OD1 ASP A 47 1.379 7.469 -4.222 1.00 0.00 O ATOM 733 OD2 ASP A 47 -0.335 8.669 -4.864 1.00 0.00 O1- ATOM 0 H ASP A 47 0.666 6.667 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 47 0.152 8.941 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.162 10.118 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.652 9.290 -2.470 1.00 0.00 H new ATOM 738 N TYR A 48 -2.289 7.407 -1.619 1.00 0.00 N ATOM 739 CA TYR A 48 -3.694 7.394 -1.653 1.00 0.00 C ATOM 740 C TYR A 48 -4.150 7.766 -0.278 1.00 0.00 C ATOM 741 O TYR A 48 -3.868 7.067 0.717 1.00 0.00 O ATOM 742 CB TYR A 48 -4.234 6.033 -2.044 1.00 0.00 C ATOM 743 CG TYR A 48 -5.344 6.118 -3.054 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.051 6.333 -4.389 1.00 0.00 C ATOM 745 CD2 TYR A 48 -6.674 5.996 -2.687 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.038 6.423 -5.333 1.00 0.00 C ATOM 747 CE2 TYR A 48 -7.679 6.084 -3.633 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.353 6.303 -4.958 1.00 0.00 C ATOM 749 OH TYR A 48 -8.345 6.398 -5.920 1.00 0.00 O ATOM 0 H TYR A 48 -1.862 6.487 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.064 8.094 -2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.424 5.428 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.597 5.521 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.020 6.432 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.929 5.830 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.783 6.588 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.713 5.982 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.222 6.291 -5.497 1.00 0.00 H new ATOM 759 N ASP A 49 -4.792 8.861 -0.240 1.00 0.00 N ATOM 760 CA ASP A 49 -5.236 9.524 0.933 1.00 0.00 C ATOM 761 C ASP A 49 -6.205 8.669 1.656 1.00 0.00 C ATOM 762 O ASP A 49 -7.052 8.044 1.045 1.00 0.00 O ATOM 763 CB ASP A 49 -5.928 10.813 0.550 1.00 0.00 C ATOM 764 CG ASP A 49 -6.160 11.710 1.734 1.00 0.00 C ATOM 765 OD1 ASP A 49 -5.219 12.407 2.159 1.00 0.00 O ATOM 766 OD2 ASP A 49 -7.285 11.730 2.265 1.00 0.00 O1- ATOM 0 H ASP A 49 -5.045 9.364 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.376 9.731 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.326 11.340 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.883 10.584 0.078 1.00 0.00 H new ATOM 771 N GLN A 50 -6.078 8.654 2.933 1.00 0.00 N ATOM 772 CA GLN A 50 -6.927 7.866 3.803 1.00 0.00 C ATOM 773 C GLN A 50 -8.398 8.198 3.636 1.00 0.00 C ATOM 774 O GLN A 50 -9.222 7.326 3.639 1.00 0.00 O ATOM 775 CB GLN A 50 -6.441 7.917 5.263 1.00 0.00 C ATOM 776 CG GLN A 50 -6.373 9.290 5.935 1.00 0.00 C ATOM 777 CD GLN A 50 -7.662 9.755 6.604 1.00 0.00 C ATOM 778 OE1 GLN A 50 -7.937 10.944 6.653 1.00 0.00 O ATOM 779 NE2 GLN A 50 -8.426 8.850 7.170 1.00 0.00 N ATOM 0 H GLN A 50 -5.371 9.195 3.430 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.838 6.825 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.097 7.283 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.446 7.473 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.581 9.270 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.085 10.028 5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.174 7.863 7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.271 9.134 7.665 1.00 0.00 H new ATOM 788 N GLN A 51 -8.698 9.449 3.425 1.00 0.00 N ATOM 789 CA GLN A 51 -10.076 9.863 3.167 1.00 0.00 C ATOM 790 C GLN A 51 -10.538 9.377 1.806 1.00 0.00 C ATOM 791 O GLN A 51 -11.646 8.876 1.675 1.00 0.00 O ATOM 792 CB GLN A 51 -10.273 11.374 3.291 1.00 0.00 C ATOM 793 CG GLN A 51 -10.232 11.906 4.714 1.00 0.00 C ATOM 794 CD GLN A 51 -11.336 11.332 5.590 1.00 0.00 C ATOM 795 OE1 GLN A 51 -12.432 11.882 5.672 1.00 0.00 O ATOM 796 NE2 GLN A 51 -11.066 10.229 6.229 1.00 0.00 N ATOM 0 H GLN A 51 -8.018 10.209 3.424 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.690 9.399 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.501 11.876 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.232 11.639 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.264 11.672 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.318 12.992 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.145 9.799 6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.775 9.795 6.820 1.00 0.00 H new ATOM 805 N VAL A 52 -9.659 9.461 0.810 1.00 0.00 N ATOM 806 CA VAL A 52 -9.984 9.020 -0.541 1.00 0.00 C ATOM 807 C VAL A 52 -10.149 7.487 -0.537 1.00 0.00 C ATOM 808 O VAL A 52 -11.023 6.923 -1.201 1.00 0.00 O ATOM 809 CB VAL A 52 -8.857 9.464 -1.521 1.00 0.00 C ATOM 810 CG1 VAL A 52 -9.095 8.992 -2.921 1.00 0.00 C ATOM 811 CG2 VAL A 52 -8.735 10.964 -1.541 1.00 0.00 C ATOM 0 H VAL A 52 -8.715 9.832 0.915 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.918 9.473 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.937 9.009 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.280 9.329 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.141 7.903 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.037 9.400 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.943 11.255 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.679 11.402 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.495 11.323 -0.540 1.00 0.00 H new ATOM 821 N PHE A 53 -9.334 6.850 0.269 1.00 0.00 N ATOM 822 CA PHE A 53 -9.364 5.423 0.481 1.00 0.00 C ATOM 823 C PHE A 53 -10.658 5.017 1.190 1.00 0.00 C ATOM 824 O PHE A 53 -11.311 4.050 0.790 1.00 0.00 O ATOM 825 CB PHE A 53 -8.133 5.010 1.294 1.00 0.00 C ATOM 826 CG PHE A 53 -8.091 3.572 1.699 1.00 0.00 C ATOM 827 CD1 PHE A 53 -7.745 2.590 0.794 1.00 0.00 C ATOM 828 CD2 PHE A 53 -8.381 3.210 3.002 1.00 0.00 C ATOM 829 CE1 PHE A 53 -7.692 1.275 1.184 1.00 0.00 C ATOM 830 CE2 PHE A 53 -8.333 1.899 3.396 1.00 0.00 C ATOM 831 CZ PHE A 53 -7.986 0.932 2.490 1.00 0.00 C ATOM 0 H PHE A 53 -8.611 7.324 0.811 1.00 0.00 H new ATOM 0 HA PHE A 53 -9.340 4.908 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.240 5.233 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.088 5.625 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.515 2.857 -0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.649 3.972 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.421 0.510 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.567 1.629 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.942 -0.102 2.797 1.00 0.00 H new ATOM 841 N GLU A 54 -11.037 5.766 2.233 1.00 0.00 N ATOM 842 CA GLU A 54 -12.280 5.481 2.941 1.00 0.00 C ATOM 843 C GLU A 54 -13.468 5.635 2.004 1.00 0.00 C ATOM 844 O GLU A 54 -14.394 4.836 2.045 1.00 0.00 O ATOM 845 CB GLU A 54 -12.473 6.358 4.174 1.00 0.00 C ATOM 846 CG GLU A 54 -11.446 6.174 5.278 1.00 0.00 C ATOM 847 CD GLU A 54 -11.311 4.752 5.775 1.00 0.00 C ATOM 848 OE1 GLU A 54 -12.327 4.023 5.872 1.00 0.00 O1- ATOM 849 OE2 GLU A 54 -10.180 4.348 6.120 1.00 0.00 O ATOM 0 H GLU A 54 -10.508 6.559 2.596 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.214 4.450 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.460 7.402 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.463 6.161 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.476 6.513 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.714 6.816 6.117 1.00 0.00 H new ATOM 856 N ARG A 55 -13.418 6.658 1.135 1.00 0.00 N ATOM 857 CA ARG A 55 -14.453 6.859 0.108 1.00 0.00 C ATOM 858 C ARG A 55 -14.579 5.632 -0.768 1.00 0.00 C ATOM 859 O ARG A 55 -15.681 5.201 -1.079 1.00 0.00 O ATOM 860 CB ARG A 55 -14.174 8.090 -0.761 1.00 0.00 C ATOM 861 CG ARG A 55 -14.846 9.387 -0.307 1.00 0.00 C ATOM 862 CD ARG A 55 -14.499 9.763 1.109 1.00 0.00 C ATOM 863 NE ARG A 55 -15.057 11.067 1.487 1.00 0.00 N ATOM 864 CZ ARG A 55 -14.753 11.721 2.607 1.00 0.00 C ATOM 865 NH1 ARG A 55 -14.068 11.116 3.559 1.00 0.00 N1+ ATOM 866 NH2 ARG A 55 -15.194 12.950 2.796 1.00 0.00 N ATOM 0 H ARG A 55 -12.675 7.356 1.123 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.393 7.028 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.097 8.252 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.495 7.873 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.551 10.196 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.927 9.280 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.874 8.998 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.415 9.787 1.222 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.723 11.502 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.771 10.148 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.835 11.617 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.769 13.401 2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.960 13.449 3.654 1.00 0.00 H new ATOM 880 N HIS A 56 -13.444 5.063 -1.153 1.00 0.00 N ATOM 881 CA HIS A 56 -13.430 3.820 -1.899 1.00 0.00 C ATOM 882 C HIS A 56 -14.162 2.735 -1.133 1.00 0.00 C ATOM 883 O HIS A 56 -15.121 2.179 -1.639 1.00 0.00 O ATOM 884 CB HIS A 56 -11.984 3.372 -2.247 1.00 0.00 C ATOM 885 CG HIS A 56 -11.850 1.910 -2.647 1.00 0.00 C ATOM 886 ND1 HIS A 56 -12.333 1.370 -3.816 1.00 0.00 N ATOM 887 CD2 HIS A 56 -11.297 0.879 -1.963 1.00 0.00 C ATOM 888 CE1 HIS A 56 -12.076 0.039 -3.794 1.00 0.00 C ATOM 889 NE2 HIS A 56 -11.444 -0.309 -2.679 1.00 0.00 N ATOM 0 H HIS A 56 -12.520 5.448 -0.958 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.949 3.994 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.612 3.993 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.343 3.559 -1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.801 1.880 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.812 0.965 -1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.350 -0.649 -4.581 1.00 0.00 H new ATOM 897 N VAL A 57 -13.773 2.528 0.111 1.00 0.00 N ATOM 898 CA VAL A 57 -14.295 1.429 0.905 1.00 0.00 C ATOM 899 C VAL A 57 -15.790 1.613 1.105 1.00 0.00 C ATOM 900 O VAL A 57 -16.584 0.707 0.922 1.00 0.00 O ATOM 901 CB VAL A 57 -13.570 1.327 2.281 1.00 0.00 C ATOM 902 CG1 VAL A 57 -14.093 0.152 3.087 1.00 0.00 C ATOM 903 CG2 VAL A 57 -12.069 1.183 2.078 1.00 0.00 C ATOM 0 H VAL A 57 -13.092 3.111 0.598 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.112 0.498 0.369 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.772 2.244 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.570 0.104 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -15.161 0.279 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.924 -0.772 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.576 1.113 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.865 0.281 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.690 2.052 1.540 1.00 0.00 H new ATOM 913 N GLN A 58 -16.161 2.820 1.370 1.00 0.00 N ATOM 914 CA GLN A 58 -17.526 3.171 1.618 1.00 0.00 C ATOM 915 C GLN A 58 -18.420 3.050 0.386 1.00 0.00 C ATOM 916 O GLN A 58 -19.615 2.886 0.522 1.00 0.00 O ATOM 917 CB GLN A 58 -17.600 4.542 2.255 1.00 0.00 C ATOM 918 CG GLN A 58 -17.169 4.536 3.713 1.00 0.00 C ATOM 919 CD GLN A 58 -18.152 3.790 4.601 1.00 0.00 C ATOM 920 OE1 GLN A 58 -19.074 4.390 5.145 1.00 0.00 O ATOM 921 NE2 GLN A 58 -17.995 2.493 4.730 1.00 0.00 N ATOM 0 H GLN A 58 -15.515 3.608 1.422 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.927 2.441 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.968 5.232 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.621 4.916 2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.185 4.075 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.071 5.563 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.218 2.025 4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -18.650 1.954 5.296 1.00 0.00 H new ATOM 930 N THR A 59 -17.842 3.073 -0.802 1.00 0.00 N ATOM 931 CA THR A 59 -18.627 2.956 -1.991 1.00 0.00 C ATOM 932 C THR A 59 -19.042 1.534 -2.194 1.00 0.00 C ATOM 933 O THR A 59 -20.195 1.275 -2.367 1.00 0.00 O ATOM 934 CB THR A 59 -17.987 3.556 -3.283 1.00 0.00 C ATOM 935 OG1 THR A 59 -16.665 3.050 -3.523 1.00 0.00 O ATOM 936 CG2 THR A 59 -17.960 5.068 -3.234 1.00 0.00 C ATOM 0 H THR A 59 -16.838 3.171 -0.956 1.00 0.00 H new ATOM 0 HA THR A 59 -19.504 3.580 -1.822 1.00 0.00 H new ATOM 0 HB THR A 59 -18.620 3.241 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.403 2.457 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.508 5.454 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.978 5.447 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 59 -17.374 5.394 -2.375 1.00 0.00 H new ATOM 944 N HIS A 60 -18.124 0.580 -2.056 1.00 0.00 N ATOM 945 CA HIS A 60 -18.516 -0.810 -2.228 1.00 0.00 C ATOM 946 C HIS A 60 -19.376 -1.343 -1.090 1.00 0.00 C ATOM 947 O HIS A 60 -19.920 -2.433 -1.169 1.00 0.00 O ATOM 948 CB HIS A 60 -17.400 -1.787 -2.645 1.00 0.00 C ATOM 949 CG HIS A 60 -16.089 -1.749 -1.935 1.00 0.00 C ATOM 950 ND1 HIS A 60 -15.427 -2.870 -1.532 1.00 0.00 N ATOM 951 CD2 HIS A 60 -15.307 -0.721 -1.586 1.00 0.00 C ATOM 952 CE1 HIS A 60 -14.288 -2.492 -0.954 1.00 0.00 C ATOM 953 NE2 HIS A 60 -14.191 -1.186 -0.939 1.00 0.00 N ATOM 0 H HIS A 60 -17.141 0.737 -1.834 1.00 0.00 H new ATOM 0 HA HIS A 60 -19.153 -0.768 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -17.796 -2.798 -2.546 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -17.203 -1.625 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -15.522 0.319 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.547 -3.168 -0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.440 -0.630 -0.530 1.00 0.00 H new ATOM 961 N PHE A 61 -19.481 -0.574 -0.037 1.00 0.00 N ATOM 962 CA PHE A 61 -20.444 -0.857 1.018 1.00 0.00 C ATOM 963 C PHE A 61 -21.748 -0.118 0.774 1.00 0.00 C ATOM 964 O PHE A 61 -22.780 -0.480 1.344 1.00 0.00 O ATOM 965 CB PHE A 61 -19.932 -0.457 2.405 1.00 0.00 C ATOM 966 CG PHE A 61 -18.933 -1.378 3.011 1.00 0.00 C ATOM 967 CD1 PHE A 61 -17.661 -1.421 2.539 1.00 0.00 C ATOM 968 CD2 PHE A 61 -19.282 -2.193 4.071 1.00 0.00 C ATOM 969 CE1 PHE A 61 -16.721 -2.253 3.098 1.00 0.00 C ATOM 970 CE2 PHE A 61 -18.355 -3.034 4.646 1.00 0.00 C ATOM 971 CZ PHE A 61 -17.066 -3.064 4.156 1.00 0.00 C ATOM 0 H PHE A 61 -18.913 0.258 0.121 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.601 -1.935 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -19.489 0.537 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -20.785 -0.380 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.382 -0.789 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -20.292 -2.170 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -15.714 -2.271 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -18.636 -3.666 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 61 -16.331 -3.720 4.600 1.00 0.00 H new ATOM 981 N ASP A 62 -21.729 0.916 -0.060 1.00 0.00 N ATOM 982 CA ASP A 62 -22.942 1.756 -0.175 1.00 0.00 C ATOM 983 C ASP A 62 -23.544 1.752 -1.538 1.00 0.00 C ATOM 984 O ASP A 62 -24.659 2.208 -1.703 1.00 0.00 O ATOM 985 CB ASP A 62 -22.628 3.181 0.130 1.00 0.00 C ATOM 986 CG ASP A 62 -23.817 4.044 0.525 1.00 0.00 C ATOM 987 OD1 ASP A 62 -24.475 3.758 1.562 1.00 0.00 O ATOM 988 OD2 ASP A 62 -24.061 5.073 -0.139 1.00 0.00 O1- ATOM 0 H ASP A 62 -20.939 1.193 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.646 1.323 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.897 3.209 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -22.153 3.626 -0.745 1.00 0.00 H new ATOM 993 N GLN A 63 -22.837 1.255 -2.517 1.00 0.00 N ATOM 994 CA GLN A 63 -23.299 1.347 -3.898 1.00 0.00 C ATOM 995 C GLN A 63 -24.404 0.359 -4.237 1.00 0.00 C ATOM 996 O GLN A 63 -24.300 -0.429 -5.179 1.00 0.00 O ATOM 997 CB GLN A 63 -22.161 1.332 -4.944 1.00 0.00 C ATOM 998 CG GLN A 63 -21.249 0.117 -4.900 1.00 0.00 C ATOM 999 CD GLN A 63 -20.192 0.161 -5.974 1.00 0.00 C ATOM 1000 OE1 GLN A 63 -19.096 0.705 -5.787 1.00 0.00 O ATOM 1001 NE2 GLN A 63 -20.504 -0.400 -7.096 1.00 0.00 N ATOM 0 H GLN A 63 -21.941 0.782 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.747 2.339 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -22.604 1.397 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -21.553 2.226 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.770 0.059 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -21.846 -0.788 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.418 -0.838 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -19.836 -0.405 -7.867 1.00 0.00 H new ATOM 1010 N ASN A 64 -25.437 0.393 -3.418 1.00 0.00 N ATOM 1011 CA ASN A 64 -26.671 -0.433 -3.592 1.00 0.00 C ATOM 1012 C ASN A 64 -26.330 -1.946 -3.582 1.00 0.00 C ATOM 1013 O ASN A 64 -27.026 -2.789 -4.137 1.00 0.00 O ATOM 1014 CB ASN A 64 -27.442 0.022 -4.884 1.00 0.00 C ATOM 1015 CG ASN A 64 -28.776 -0.704 -5.158 1.00 0.00 C ATOM 1016 OD1 ASN A 64 -28.830 -1.693 -5.901 1.00 0.00 O ATOM 1017 ND2 ASN A 64 -29.843 -0.245 -4.550 1.00 0.00 N ATOM 0 H ASN A 64 -25.468 0.995 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 64 -27.341 -0.272 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -27.640 1.091 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -26.788 -0.121 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -30.744 -0.704 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -29.772 0.572 -3.943 1.00 0.00 H new ATOM 1024 N VAL A 65 -25.274 -2.275 -2.856 1.00 0.00 N ATOM 1025 CA VAL A 65 -24.809 -3.666 -2.708 1.00 0.00 C ATOM 1026 C VAL A 65 -25.639 -4.397 -1.662 1.00 0.00 C ATOM 1027 O VAL A 65 -25.475 -5.595 -1.401 1.00 0.00 O ATOM 1028 CB VAL A 65 -23.316 -3.728 -2.325 1.00 0.00 C ATOM 1029 CG1 VAL A 65 -22.453 -3.145 -3.433 1.00 0.00 C ATOM 1030 CG2 VAL A 65 -23.079 -2.979 -1.018 1.00 0.00 C ATOM 0 H VAL A 65 -24.708 -1.595 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 65 -24.933 -4.156 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 65 -23.036 -4.773 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -21.404 -3.198 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -22.605 -3.714 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -22.731 -2.104 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -22.022 -3.029 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -23.375 -1.937 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -23.671 -3.435 -0.225 1.00 0.00 H new ATOM 1040 N LEU A 66 -26.509 -3.661 -1.083 1.00 0.00 N ATOM 1041 CA LEU A 66 -27.415 -4.141 -0.114 1.00 0.00 C ATOM 1042 C LEU A 66 -28.816 -3.870 -0.591 1.00 0.00 C ATOM 1043 O LEU A 66 -29.180 -2.730 -0.857 1.00 0.00 O ATOM 1044 CB LEU A 66 -27.085 -3.572 1.298 1.00 0.00 C ATOM 1045 CG LEU A 66 -26.883 -2.053 1.468 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -28.197 -1.298 1.619 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -25.969 -1.788 2.643 1.00 0.00 C ATOM 0 H LEU A 66 -26.613 -2.666 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 66 -27.321 -5.220 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -27.889 -3.873 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -26.177 -4.065 1.646 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.419 -1.679 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -27.994 -0.233 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -28.811 -1.455 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.728 -1.664 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -25.829 -0.713 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -26.415 -2.196 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -25.004 -2.263 2.467 1.00 0.00 H new ATOM 1059 N ASN A 67 -29.559 -4.908 -0.814 1.00 0.00 N ATOM 1060 CA ASN A 67 -30.910 -4.770 -1.283 1.00 0.00 C ATOM 1061 C ASN A 67 -31.850 -4.733 -0.099 1.00 0.00 C ATOM 1062 O ASN A 67 -32.224 -5.770 0.457 1.00 0.00 O ATOM 1063 CB ASN A 67 -31.265 -5.893 -2.271 1.00 0.00 C ATOM 1064 CG ASN A 67 -32.668 -5.771 -2.838 1.00 0.00 C ATOM 1065 OD1 ASN A 67 -33.614 -6.324 -2.302 1.00 0.00 O ATOM 1066 ND2 ASN A 67 -32.810 -5.055 -3.922 1.00 0.00 N ATOM 0 H ASN A 67 -29.253 -5.871 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 67 -31.013 -3.832 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -30.547 -5.887 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -31.166 -6.855 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -33.732 -4.946 -4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -31.999 -4.605 -4.346 1.00 0.00 H new ATOM 1073 N PHE A 68 -32.164 -3.541 0.325 1.00 0.00 N ATOM 1074 CA PHE A 68 -32.999 -3.331 1.486 1.00 0.00 C ATOM 1075 C PHE A 68 -34.399 -2.895 1.073 1.00 0.00 C ATOM 1076 O PHE A 68 -35.394 -3.275 1.699 1.00 0.00 O ATOM 1077 CB PHE A 68 -32.348 -2.276 2.401 1.00 0.00 C ATOM 1078 CG PHE A 68 -33.134 -1.940 3.638 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -33.106 -2.777 4.741 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -33.908 -0.790 3.693 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -33.832 -2.471 5.873 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -34.634 -0.483 4.822 1.00 0.00 C ATOM 1083 CZ PHE A 68 -34.598 -1.326 5.912 1.00 0.00 C ATOM 0 H PHE A 68 -31.849 -2.681 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 68 -33.091 -4.270 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -31.363 -2.634 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -32.195 -1.363 1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -32.510 -3.677 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -33.942 -0.128 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -33.800 -3.129 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -35.231 0.417 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 68 -35.170 -1.089 6.797 1.00 0.00 H new ATOM 1093 N ASP A 69 -34.464 -2.122 0.024 1.00 0.00 N ATOM 1094 CA ASP A 69 -35.714 -1.566 -0.458 1.00 0.00 C ATOM 1095 C ASP A 69 -36.334 -2.543 -1.404 1.00 0.00 C ATOM 1096 O ASP A 69 -37.395 -3.105 -1.089 1.00 0.00 O ATOM 1097 CB ASP A 69 -35.516 -0.223 -1.181 1.00 0.00 C ATOM 1098 CG ASP A 69 -34.789 0.820 -0.368 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -35.401 1.453 0.517 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -33.584 1.055 -0.631 1.00 0.00 O1- ATOM 1101 OXT ASP A 69 -35.722 -2.835 -2.449 1.00 0.00 O ATOM 0 H ASP A 69 -33.650 -1.854 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 69 -36.357 -1.383 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -34.962 -0.399 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -36.492 0.170 -1.465 1.00 0.00 H new TER 1106 ASP A 69 HETATM 1107 ZN ZN A 101 7.967 1.738 5.001 1.00 0.00 ZN HETATM 1108 ZN ZN A 102 -12.483 -1.739 -1.735 1.00 0.00 ZN