USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 Set 1.1: A 66 THR OG1 : rot 120:sc= 0.88 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -159:sc= 1.05 (180deg=-0.0582) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.42 K(o=-0.061,f=-7.7!) USER MOD Set 2.2: A 79 THR OG1 : rot -35:sc= 0.359 USER MOD Set 3.1: A 13 TYR OH : rot 151:sc= 0 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 159:sc= -0.622 (180deg=-1.98!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0218 (180deg=-0.291) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.781 (180deg=-1.02) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0.61 (180deg=-0.311) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0.652 (180deg=0.289) USER MOD Single : A 15 MET CE :methyl 165:sc= -0.0297 (180deg=-0.73) USER MOD Single : A 22 SER OG : rot -2:sc= 0.0655 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 32 THR OG1 : rot -150:sc= -0.278 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 180:sc= -0.149 (180deg=-0.149) USER MOD Single : A 44 ASN : amide:sc= -4.33! C(o=-4.3!,f=-5.2!) USER MOD Single : A 49 MET CE :methyl 160:sc= -0.201 (180deg=-0.285) USER MOD Single : A 51 TYR OH : rot 131:sc= -0.0897 USER MOD Single : A 56 MET CE :methyl -177:sc= -3.65! (180deg=-3.67!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00896 USER MOD Single : A 63 THR OG1 : rot -36:sc= 0.0622 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.13) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -78:sc= 1.06 USER MOD Single : A 101 PNS O33 : rot 180:sc= 0.00651 USER MOD Single : A 101 PNS S44 : rot -8:sc= 0.69 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.828 8.594 0.896 1.00 0.00 N ATOM 2 CA MET A 1 10.634 8.088 0.178 1.00 0.00 C ATOM 3 C MET A 1 11.013 6.882 -0.713 1.00 0.00 C ATOM 4 O MET A 1 10.214 6.417 -1.535 1.00 0.00 O ATOM 5 CB MET A 1 10.015 9.250 -0.645 1.00 0.00 C ATOM 6 CG MET A 1 8.578 9.017 -1.123 1.00 0.00 C ATOM 7 SD MET A 1 7.999 10.290 -2.265 1.00 0.00 S ATOM 8 CE MET A 1 8.977 9.951 -3.732 1.00 0.00 C ATOM 0 H1 MET A 1 11.544 9.348 1.554 1.00 0.00 H new ATOM 0 H2 MET A 1 12.268 7.817 1.429 1.00 0.00 H new ATOM 0 H3 MET A 1 12.511 8.973 0.210 1.00 0.00 H new ATOM 0 HA MET A 1 9.888 7.733 0.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.037 10.155 -0.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.645 9.434 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.516 8.044 -1.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.915 8.983 -0.259 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.535 10.459 -4.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.995 10.311 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.996 8.877 -3.916 1.00 0.00 H new ATOM 20 N ASP A 2 12.241 6.364 -0.516 1.00 0.00 N ATOM 21 CA ASP A 2 12.790 5.244 -1.308 1.00 0.00 C ATOM 22 C ASP A 2 12.179 3.902 -0.900 1.00 0.00 C ATOM 23 O ASP A 2 11.352 3.857 0.011 1.00 0.00 O ATOM 24 CB ASP A 2 14.334 5.212 -1.172 1.00 0.00 C ATOM 25 CG ASP A 2 14.977 6.500 -1.691 1.00 0.00 C ATOM 26 OD1 ASP A 2 15.217 6.597 -2.908 1.00 0.00 O ATOM 27 OD2 ASP A 2 15.214 7.437 -0.897 1.00 0.00 O ATOM 0 H ASP A 2 12.882 6.710 0.198 1.00 0.00 H new ATOM 0 HA ASP A 2 12.526 5.408 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.604 5.067 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.730 4.360 -1.724 1.00 0.00 H new ATOM 32 N GLY A 3 12.651 2.823 -1.571 1.00 0.00 N ATOM 33 CA GLY A 3 12.046 1.487 -1.531 1.00 0.00 C ATOM 34 C GLY A 3 11.559 1.018 -0.158 1.00 0.00 C ATOM 35 O GLY A 3 10.409 0.619 -0.024 1.00 0.00 O ATOM 0 H GLY A 3 13.480 2.868 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.202 1.470 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.775 0.767 -1.902 1.00 0.00 H new ATOM 39 N GLU A 4 12.414 1.125 0.870 1.00 0.00 N ATOM 40 CA GLU A 4 12.086 0.662 2.233 1.00 0.00 C ATOM 41 C GLU A 4 11.196 1.691 2.950 1.00 0.00 C ATOM 42 O GLU A 4 10.265 1.314 3.655 1.00 0.00 O ATOM 43 CB GLU A 4 13.385 0.410 3.046 1.00 0.00 C ATOM 44 CG GLU A 4 14.492 -0.346 2.276 1.00 0.00 C ATOM 45 CD GLU A 4 14.075 -1.759 1.819 1.00 0.00 C ATOM 46 OE1 GLU A 4 13.514 -1.906 0.707 1.00 0.00 O ATOM 47 OE2 GLU A 4 14.290 -2.732 2.574 1.00 0.00 O ATOM 0 H GLU A 4 13.346 1.531 0.785 1.00 0.00 H new ATOM 0 HA GLU A 4 11.537 -0.277 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.782 1.370 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.133 -0.157 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.779 0.239 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.375 -0.425 2.911 1.00 0.00 H new ATOM 54 N GLU A 5 11.511 2.988 2.750 1.00 0.00 N ATOM 55 CA GLU A 5 10.815 4.122 3.413 1.00 0.00 C ATOM 56 C GLU A 5 9.323 4.208 3.035 1.00 0.00 C ATOM 57 O GLU A 5 8.487 4.448 3.912 1.00 0.00 O ATOM 58 CB GLU A 5 11.501 5.460 3.068 1.00 0.00 C ATOM 59 CG GLU A 5 12.961 5.578 3.547 1.00 0.00 C ATOM 60 CD GLU A 5 13.607 6.908 3.128 1.00 0.00 C ATOM 61 OE1 GLU A 5 14.041 7.013 1.961 1.00 0.00 O ATOM 62 OE2 GLU A 5 13.635 7.864 3.931 1.00 0.00 O ATOM 0 H GLU A 5 12.258 3.284 2.122 1.00 0.00 H new ATOM 0 HA GLU A 5 10.879 3.934 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.475 5.598 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.922 6.273 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.993 5.487 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.542 4.750 3.141 1.00 0.00 H new ATOM 69 N VAL A 6 9.003 4.048 1.732 1.00 0.00 N ATOM 70 CA VAL A 6 7.603 4.035 1.238 1.00 0.00 C ATOM 71 C VAL A 6 6.817 2.906 1.919 1.00 0.00 C ATOM 72 O VAL A 6 5.750 3.150 2.480 1.00 0.00 O ATOM 73 CB VAL A 6 7.506 3.930 -0.348 1.00 0.00 C ATOM 74 CG1 VAL A 6 8.420 2.833 -0.929 1.00 0.00 C ATOM 75 CG2 VAL A 6 6.045 3.710 -0.831 1.00 0.00 C ATOM 0 H VAL A 6 9.699 3.925 0.997 1.00 0.00 H new ATOM 0 HA VAL A 6 7.156 4.993 1.503 1.00 0.00 H new ATOM 0 HB VAL A 6 7.855 4.891 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.313 2.807 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.457 3.050 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.137 1.866 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.027 3.644 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.657 2.785 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.425 4.546 -0.508 1.00 0.00 H new ATOM 85 N LYS A 7 7.405 1.705 1.928 1.00 0.00 N ATOM 86 CA LYS A 7 6.801 0.507 2.529 1.00 0.00 C ATOM 87 C LYS A 7 6.593 0.670 4.044 1.00 0.00 C ATOM 88 O LYS A 7 5.568 0.261 4.580 1.00 0.00 O ATOM 89 CB LYS A 7 7.707 -0.714 2.245 1.00 0.00 C ATOM 90 CG LYS A 7 7.782 -1.097 0.750 1.00 0.00 C ATOM 91 CD LYS A 7 8.590 -2.379 0.478 1.00 0.00 C ATOM 92 CE LYS A 7 10.031 -2.305 1.010 1.00 0.00 C ATOM 93 NZ LYS A 7 10.806 -3.521 0.711 1.00 0.00 N ATOM 0 H LYS A 7 8.322 1.534 1.515 1.00 0.00 H new ATOM 0 HA LYS A 7 5.819 0.357 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.713 -0.501 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.338 -1.569 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.770 -1.228 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.229 -0.272 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.082 -3.227 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.614 -2.566 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.532 -1.442 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.009 -2.148 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.472 -3.708 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.159 -4.329 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.335 -3.386 -0.174 1.00 0.00 H new ATOM 107 N GLU A 8 7.582 1.277 4.693 1.00 0.00 N ATOM 108 CA GLU A 8 7.589 1.568 6.129 1.00 0.00 C ATOM 109 C GLU A 8 6.444 2.547 6.491 1.00 0.00 C ATOM 110 O GLU A 8 5.751 2.346 7.497 1.00 0.00 O ATOM 111 CB GLU A 8 9.018 2.114 6.473 1.00 0.00 C ATOM 112 CG GLU A 8 9.176 2.964 7.737 1.00 0.00 C ATOM 113 CD GLU A 8 8.962 2.203 9.050 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.665 1.195 9.285 1.00 0.00 O ATOM 115 OE2 GLU A 8 8.095 2.598 9.862 1.00 0.00 O ATOM 0 H GLU A 8 8.430 1.592 4.221 1.00 0.00 H new ATOM 0 HA GLU A 8 7.398 0.678 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.690 1.260 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.362 2.708 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.175 3.399 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.468 3.792 7.693 1.00 0.00 H new ATOM 122 N LYS A 9 6.228 3.561 5.624 1.00 0.00 N ATOM 123 CA LYS A 9 5.117 4.532 5.753 1.00 0.00 C ATOM 124 C LYS A 9 3.764 3.812 5.690 1.00 0.00 C ATOM 125 O LYS A 9 2.912 3.977 6.577 1.00 0.00 O ATOM 126 CB LYS A 9 5.170 5.587 4.614 1.00 0.00 C ATOM 127 CG LYS A 9 6.273 6.643 4.746 1.00 0.00 C ATOM 128 CD LYS A 9 6.274 7.628 3.554 1.00 0.00 C ATOM 129 CE LYS A 9 7.260 8.784 3.761 1.00 0.00 C ATOM 130 NZ LYS A 9 6.869 9.645 4.912 1.00 0.00 N ATOM 0 H LYS A 9 6.821 3.730 4.812 1.00 0.00 H new ATOM 0 HA LYS A 9 5.226 5.030 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.301 5.066 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.207 6.096 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.136 7.197 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.243 6.149 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.532 7.091 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.270 8.029 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.260 8.383 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.307 9.388 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.370 10.554 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.843 9.812 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.121 9.170 5.802 1.00 0.00 H new ATOM 144 N ILE A 10 3.592 3.015 4.623 1.00 0.00 N ATOM 145 CA ILE A 10 2.331 2.334 4.320 1.00 0.00 C ATOM 146 C ILE A 10 2.010 1.295 5.404 1.00 0.00 C ATOM 147 O ILE A 10 0.871 1.213 5.848 1.00 0.00 O ATOM 148 CB ILE A 10 2.393 1.626 2.921 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.782 2.635 1.801 1.00 0.00 C ATOM 150 CG2 ILE A 10 1.052 0.916 2.573 1.00 0.00 C ATOM 151 CD1 ILE A 10 3.110 1.991 0.461 1.00 0.00 C ATOM 0 H ILE A 10 4.330 2.827 3.945 1.00 0.00 H new ATOM 0 HA ILE A 10 1.544 3.088 4.296 1.00 0.00 H new ATOM 0 HB ILE A 10 3.167 0.861 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.961 3.338 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.644 3.213 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.136 0.438 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.833 0.162 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.247 1.650 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.370 2.765 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.952 1.310 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.243 1.436 0.102 1.00 0.00 H new ATOM 163 N ARG A 11 3.052 0.563 5.873 1.00 0.00 N ATOM 164 CA ARG A 11 2.887 -0.580 6.795 1.00 0.00 C ATOM 165 C ARG A 11 2.463 -0.057 8.164 1.00 0.00 C ATOM 166 O ARG A 11 1.753 -0.742 8.899 1.00 0.00 O ATOM 167 CB ARG A 11 4.185 -1.478 6.832 1.00 0.00 C ATOM 168 CG ARG A 11 5.300 -1.190 7.880 1.00 0.00 C ATOM 169 CD ARG A 11 5.055 -1.863 9.268 1.00 0.00 C ATOM 170 NE ARG A 11 6.308 -2.237 9.963 1.00 0.00 N ATOM 171 CZ ARG A 11 7.277 -1.397 10.369 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.169 -0.094 10.158 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.353 -1.873 10.984 1.00 0.00 N ATOM 0 H ARG A 11 4.023 0.750 5.622 1.00 0.00 H new ATOM 0 HA ARG A 11 2.097 -1.240 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.862 -2.509 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.645 -1.424 5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.255 -1.535 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.384 -0.112 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.486 -1.181 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.444 -2.755 9.130 1.00 0.00 H new ATOM 0 HE ARG A 11 6.450 -3.229 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.346 0.279 9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.908 0.536 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.445 -2.875 11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.088 -1.236 11.292 1.00 0.00 H new ATOM 187 N ARG A 12 2.896 1.177 8.470 1.00 0.00 N ATOM 188 CA ARG A 12 2.469 1.894 9.653 1.00 0.00 C ATOM 189 C ARG A 12 1.027 2.354 9.495 1.00 0.00 C ATOM 190 O ARG A 12 0.228 2.169 10.407 1.00 0.00 O ATOM 191 CB ARG A 12 3.406 3.096 9.945 1.00 0.00 C ATOM 192 CG ARG A 12 4.795 2.724 10.511 1.00 0.00 C ATOM 193 CD ARG A 12 4.694 1.718 11.659 1.00 0.00 C ATOM 194 NE ARG A 12 5.990 1.454 12.304 1.00 0.00 N ATOM 195 CZ ARG A 12 6.226 0.463 13.180 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.258 -0.370 13.523 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.435 0.276 13.670 1.00 0.00 N ATOM 0 H ARG A 12 3.556 1.697 7.891 1.00 0.00 H new ATOM 0 HA ARG A 12 2.526 1.217 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.546 3.660 9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.909 3.760 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.411 2.305 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.297 3.626 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.993 2.094 12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.285 0.781 11.280 1.00 0.00 H new ATOM 0 HE ARG A 12 6.768 2.070 12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.326 -0.262 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.443 -1.121 14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.201 0.886 13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.605 -0.479 14.335 1.00 0.00 H new ATOM 211 N TYR A 13 0.695 2.904 8.315 1.00 0.00 N ATOM 212 CA TYR A 13 -0.659 3.406 8.012 1.00 0.00 C ATOM 213 C TYR A 13 -1.706 2.267 8.057 1.00 0.00 C ATOM 214 O TYR A 13 -2.884 2.507 8.357 1.00 0.00 O ATOM 215 CB TYR A 13 -0.677 4.100 6.635 1.00 0.00 C ATOM 216 CG TYR A 13 -2.011 4.790 6.314 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.455 5.886 7.060 1.00 0.00 C ATOM 218 CD2 TYR A 13 -2.832 4.342 5.280 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.656 6.504 6.777 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.026 4.953 5.000 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.440 6.030 5.743 1.00 0.00 C ATOM 222 OH TYR A 13 -5.648 6.623 5.452 1.00 0.00 O ATOM 0 H TYR A 13 1.355 3.014 7.545 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.926 4.134 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.123 4.839 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.464 3.362 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.847 6.256 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.520 3.495 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.981 7.353 7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.643 4.586 4.193 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.840 6.523 4.496 1.00 0.00 H new ATOM 232 N ILE A 14 -1.266 1.031 7.759 1.00 0.00 N ATOM 233 CA ILE A 14 -2.117 -0.164 7.861 1.00 0.00 C ATOM 234 C ILE A 14 -2.408 -0.473 9.347 1.00 0.00 C ATOM 235 O ILE A 14 -3.488 -0.930 9.675 1.00 0.00 O ATOM 236 CB ILE A 14 -1.452 -1.404 7.157 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.160 -1.103 5.650 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.329 -2.681 7.289 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.109 -2.009 5.028 1.00 0.00 C ATOM 0 H ILE A 14 -0.316 0.835 7.443 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.057 0.039 7.347 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.507 -1.592 7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.087 -1.199 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.834 -0.067 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.835 -3.515 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.468 -2.920 8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.300 -2.505 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.035 -1.735 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.833 -1.896 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.440 -3.046 5.089 1.00 0.00 H new ATOM 251 N MET A 15 -1.439 -0.201 10.230 1.00 0.00 N ATOM 252 CA MET A 15 -1.587 -0.405 11.695 1.00 0.00 C ATOM 253 C MET A 15 -2.368 0.759 12.355 1.00 0.00 C ATOM 254 O MET A 15 -2.974 0.581 13.420 1.00 0.00 O ATOM 255 CB MET A 15 -0.183 -0.517 12.336 1.00 0.00 C ATOM 256 CG MET A 15 0.705 -1.602 11.723 1.00 0.00 C ATOM 257 SD MET A 15 2.429 -1.519 12.265 1.00 0.00 S ATOM 258 CE MET A 15 2.250 -1.721 14.029 1.00 0.00 C ATOM 0 H MET A 15 -0.527 0.167 9.959 1.00 0.00 H new ATOM 0 HA MET A 15 -2.152 -1.323 11.858 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.323 0.444 12.245 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.298 -0.717 13.401 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.299 -2.580 11.980 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.670 -1.518 10.637 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.219 -1.957 14.468 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.870 -0.797 14.464 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.552 -2.533 14.233 1.00 0.00 H new ATOM 268 N GLU A 16 -2.306 1.946 11.712 1.00 0.00 N ATOM 269 CA GLU A 16 -2.946 3.181 12.200 1.00 0.00 C ATOM 270 C GLU A 16 -4.438 3.179 11.836 1.00 0.00 C ATOM 271 O GLU A 16 -5.304 3.074 12.701 1.00 0.00 O ATOM 272 CB GLU A 16 -2.268 4.442 11.572 1.00 0.00 C ATOM 273 CG GLU A 16 -0.802 4.680 11.968 1.00 0.00 C ATOM 274 CD GLU A 16 -0.609 4.995 13.462 1.00 0.00 C ATOM 275 OE1 GLU A 16 -1.204 5.981 13.947 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.153 4.290 14.146 1.00 0.00 O ATOM 0 H GLU A 16 -1.805 2.072 10.832 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.830 3.217 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.322 4.358 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.848 5.321 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.218 3.796 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.405 5.505 11.377 1.00 0.00 H new ATOM 283 N ASP A 17 -4.706 3.278 10.530 1.00 0.00 N ATOM 284 CA ASP A 17 -6.039 3.582 9.981 1.00 0.00 C ATOM 285 C ASP A 17 -6.875 2.318 9.695 1.00 0.00 C ATOM 286 O ASP A 17 -8.072 2.276 9.997 1.00 0.00 O ATOM 287 CB ASP A 17 -5.836 4.388 8.684 1.00 0.00 C ATOM 288 CG ASP A 17 -7.137 4.767 7.962 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.861 5.652 8.461 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.426 4.213 6.882 1.00 0.00 O ATOM 0 H ASP A 17 -3.995 3.148 9.811 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.599 4.151 10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.287 5.300 8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.213 3.807 8.004 1.00 0.00 H new ATOM 295 N LEU A 18 -6.232 1.314 9.084 1.00 0.00 N ATOM 296 CA LEU A 18 -6.909 0.102 8.574 1.00 0.00 C ATOM 297 C LEU A 18 -7.233 -0.866 9.731 1.00 0.00 C ATOM 298 O LEU A 18 -8.396 -1.189 9.986 1.00 0.00 O ATOM 299 CB LEU A 18 -6.028 -0.603 7.491 1.00 0.00 C ATOM 300 CG LEU A 18 -5.918 0.074 6.069 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.408 1.534 6.106 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.046 -0.789 5.136 1.00 0.00 C ATOM 0 H LEU A 18 -5.224 1.314 8.926 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.848 0.401 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.020 -0.701 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.415 -1.612 7.351 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.933 0.129 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.360 1.929 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.090 2.143 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.414 1.561 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.977 -0.312 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.048 -0.890 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.496 -1.776 5.028 1.00 0.00 H new ATOM 314 N ILE A 19 -6.179 -1.319 10.409 1.00 0.00 N ATOM 315 CA ILE A 19 -6.257 -2.257 11.539 1.00 0.00 C ATOM 316 C ILE A 19 -6.217 -1.454 12.852 1.00 0.00 C ATOM 317 O ILE A 19 -5.717 -0.322 12.873 1.00 0.00 O ATOM 318 CB ILE A 19 -5.057 -3.281 11.486 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.998 -3.989 10.094 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.117 -4.327 12.630 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.839 -4.960 9.931 1.00 0.00 C ATOM 0 H ILE A 19 -5.223 -1.040 10.186 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.187 -2.823 11.483 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.142 -2.706 11.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.932 -4.527 9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.931 -3.229 9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.269 -5.007 12.547 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.080 -3.816 13.592 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.045 -4.894 12.556 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.875 -5.406 8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.897 -4.426 10.056 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.914 -5.745 10.683 1.00 0.00 H new ATOM 333 N GLY A 20 -6.724 -2.043 13.934 1.00 0.00 N ATOM 334 CA GLY A 20 -6.783 -1.380 15.232 1.00 0.00 C ATOM 335 C GLY A 20 -6.061 -2.161 16.329 1.00 0.00 C ATOM 336 O GLY A 20 -4.837 -2.059 16.430 1.00 0.00 O ATOM 0 H GLY A 20 -7.104 -2.990 13.934 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.341 -0.387 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.826 -1.242 15.517 1.00 0.00 H new ATOM 340 N PRO A 21 -6.785 -3.001 17.135 1.00 0.00 N ATOM 341 CA PRO A 21 -6.251 -3.551 18.404 1.00 0.00 C ATOM 342 C PRO A 21 -5.129 -4.591 18.196 1.00 0.00 C ATOM 343 O PRO A 21 -4.131 -4.579 18.923 1.00 0.00 O ATOM 344 CB PRO A 21 -7.510 -4.156 19.086 1.00 0.00 C ATOM 345 CG PRO A 21 -8.435 -4.514 17.952 1.00 0.00 C ATOM 346 CD PRO A 21 -8.163 -3.503 16.845 1.00 0.00 C ATOM 0 HA PRO A 21 -5.763 -2.789 19.012 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.254 -5.034 19.679 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.975 -3.439 19.763 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.250 -5.530 17.605 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.476 -4.471 18.271 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.219 -3.967 15.860 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.892 -2.693 16.858 1.00 0.00 H new ATOM 354 N SER A 22 -5.291 -5.473 17.193 1.00 0.00 N ATOM 355 CA SER A 22 -4.295 -6.509 16.867 1.00 0.00 C ATOM 356 C SER A 22 -3.363 -5.996 15.756 1.00 0.00 C ATOM 357 O SER A 22 -3.462 -6.393 14.585 1.00 0.00 O ATOM 358 CB SER A 22 -5.002 -7.827 16.477 1.00 0.00 C ATOM 359 OG SER A 22 -4.083 -8.898 16.295 1.00 0.00 O ATOM 0 H SER A 22 -6.112 -5.488 16.588 1.00 0.00 H new ATOM 0 HA SER A 22 -3.682 -6.723 17.743 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.720 -8.095 17.252 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.567 -7.676 15.557 1.00 0.00 H new ATOM 0 HG SER A 22 -3.169 -8.570 16.425 1.00 0.00 H new ATOM 365 N ALA A 23 -2.479 -5.069 16.146 1.00 0.00 N ATOM 366 CA ALA A 23 -1.432 -4.531 15.281 1.00 0.00 C ATOM 367 C ALA A 23 -0.199 -4.232 16.144 1.00 0.00 C ATOM 368 O ALA A 23 0.140 -3.074 16.421 1.00 0.00 O ATOM 369 CB ALA A 23 -1.909 -3.292 14.506 1.00 0.00 C ATOM 0 H ALA A 23 -2.474 -4.669 17.084 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.171 -5.269 14.522 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.100 -2.924 13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.762 -3.559 13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.203 -2.514 15.210 1.00 0.00 H new ATOM 375 N LYS A 24 0.417 -5.330 16.616 1.00 0.00 N ATOM 376 CA LYS A 24 1.671 -5.342 17.405 1.00 0.00 C ATOM 377 C LYS A 24 2.798 -4.654 16.624 1.00 0.00 C ATOM 378 O LYS A 24 2.690 -4.522 15.402 1.00 0.00 O ATOM 379 CB LYS A 24 1.999 -6.818 17.728 1.00 0.00 C ATOM 380 CG LYS A 24 3.192 -7.082 18.658 1.00 0.00 C ATOM 381 CD LYS A 24 3.345 -8.587 18.965 1.00 0.00 C ATOM 382 CE LYS A 24 3.684 -9.438 17.721 1.00 0.00 C ATOM 383 NZ LYS A 24 3.623 -10.894 18.003 1.00 0.00 N ATOM 0 H LYS A 24 0.047 -6.267 16.456 1.00 0.00 H new ATOM 0 HA LYS A 24 1.559 -4.785 18.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.114 -7.271 18.176 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.182 -7.338 16.787 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.106 -6.709 18.195 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.058 -6.531 19.589 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.129 -8.720 19.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.419 -8.956 19.406 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.989 -9.196 16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.682 -9.180 17.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.858 -11.425 17.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.305 -11.131 18.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.664 -11.147 18.315 1.00 0.00 H new ATOM 397 N GLU A 25 3.884 -4.267 17.338 1.00 0.00 N ATOM 398 CA GLU A 25 4.975 -3.397 16.818 1.00 0.00 C ATOM 399 C GLU A 25 5.435 -3.770 15.380 1.00 0.00 C ATOM 400 O GLU A 25 5.760 -2.880 14.590 1.00 0.00 O ATOM 401 CB GLU A 25 6.198 -3.430 17.781 1.00 0.00 C ATOM 402 CG GLU A 25 5.880 -3.216 19.282 1.00 0.00 C ATOM 403 CD GLU A 25 5.090 -1.928 19.578 1.00 0.00 C ATOM 404 OE1 GLU A 25 5.635 -0.817 19.371 1.00 0.00 O ATOM 405 OE2 GLU A 25 3.935 -2.018 20.052 1.00 0.00 O ATOM 0 H GLU A 25 4.031 -4.553 18.306 1.00 0.00 H new ATOM 0 HA GLU A 25 4.560 -2.390 16.767 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.699 -4.391 17.669 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.905 -2.663 17.466 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.311 -4.071 19.648 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.815 -3.193 19.841 1.00 0.00 H new ATOM 412 N ASP A 26 5.437 -5.084 15.047 1.00 0.00 N ATOM 413 CA ASP A 26 5.804 -5.587 13.692 1.00 0.00 C ATOM 414 C ASP A 26 4.868 -6.736 13.254 1.00 0.00 C ATOM 415 O ASP A 26 5.317 -7.713 12.639 1.00 0.00 O ATOM 416 CB ASP A 26 7.296 -6.046 13.646 1.00 0.00 C ATOM 417 CG ASP A 26 8.283 -4.892 13.864 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.507 -4.103 12.912 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.808 -4.745 14.992 1.00 0.00 O ATOM 0 H ASP A 26 5.187 -5.824 15.703 1.00 0.00 H new ATOM 0 HA ASP A 26 5.682 -4.762 12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.460 -6.807 14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.498 -6.513 12.682 1.00 0.00 H new ATOM 424 N GLU A 27 3.555 -6.606 13.534 1.00 0.00 N ATOM 425 CA GLU A 27 2.538 -7.539 12.984 1.00 0.00 C ATOM 426 C GLU A 27 2.421 -7.349 11.459 1.00 0.00 C ATOM 427 O GLU A 27 2.027 -8.268 10.737 1.00 0.00 O ATOM 428 CB GLU A 27 1.129 -7.401 13.684 1.00 0.00 C ATOM 429 CG GLU A 27 0.875 -8.442 14.799 1.00 0.00 C ATOM 430 CD GLU A 27 -0.603 -8.572 15.238 1.00 0.00 C ATOM 431 OE1 GLU A 27 -1.408 -9.149 14.474 1.00 0.00 O ATOM 432 OE2 GLU A 27 -0.950 -8.126 16.357 1.00 0.00 O ATOM 0 H GLU A 27 3.172 -5.873 14.131 1.00 0.00 H new ATOM 0 HA GLU A 27 2.880 -8.552 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.042 -6.401 14.109 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.349 -7.495 12.929 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.225 -9.415 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.476 -8.177 15.669 1.00 0.00 H new ATOM 439 N LEU A 28 2.751 -6.130 10.990 1.00 0.00 N ATOM 440 CA LEU A 28 2.848 -5.802 9.559 1.00 0.00 C ATOM 441 C LEU A 28 4.319 -5.838 9.106 1.00 0.00 C ATOM 442 O LEU A 28 5.191 -5.252 9.751 1.00 0.00 O ATOM 443 CB LEU A 28 2.192 -4.410 9.274 1.00 0.00 C ATOM 444 CG LEU A 28 0.651 -4.427 9.011 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.310 -5.251 7.751 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.134 -4.932 10.239 1.00 0.00 C ATOM 0 H LEU A 28 2.959 -5.340 11.601 1.00 0.00 H new ATOM 0 HA LEU A 28 2.302 -6.549 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.390 -3.755 10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.685 -3.967 8.408 1.00 0.00 H new ATOM 0 HG LEU A 28 0.341 -3.397 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.769 -5.245 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.806 -4.813 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.651 -6.278 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.201 -4.929 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.183 -5.946 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.061 -4.278 11.089 1.00 0.00 H new ATOM 458 N ASP A 29 4.561 -6.536 7.995 1.00 0.00 N ATOM 459 CA ASP A 29 5.892 -6.706 7.383 1.00 0.00 C ATOM 460 C ASP A 29 5.803 -6.358 5.887 1.00 0.00 C ATOM 461 O ASP A 29 4.711 -6.147 5.337 1.00 0.00 O ATOM 462 CB ASP A 29 6.370 -8.184 7.602 1.00 0.00 C ATOM 463 CG ASP A 29 7.827 -8.461 7.165 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.752 -8.184 7.945 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.054 -8.936 6.033 1.00 0.00 O ATOM 0 H ASP A 29 3.822 -7.013 7.478 1.00 0.00 H new ATOM 0 HA ASP A 29 6.619 -6.040 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.268 -8.432 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.707 -8.852 7.052 1.00 0.00 H new ATOM 470 N ASP A 30 6.969 -6.312 5.252 1.00 0.00 N ATOM 471 CA ASP A 30 7.146 -6.057 3.820 1.00 0.00 C ATOM 472 C ASP A 30 6.536 -7.187 2.961 1.00 0.00 C ATOM 473 O ASP A 30 5.992 -6.939 1.886 1.00 0.00 O ATOM 474 CB ASP A 30 8.680 -5.877 3.558 1.00 0.00 C ATOM 475 CG ASP A 30 9.154 -6.140 2.114 1.00 0.00 C ATOM 476 OD1 ASP A 30 8.682 -5.471 1.194 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.045 -6.994 1.902 1.00 0.00 O ATOM 0 H ASP A 30 7.855 -6.457 5.737 1.00 0.00 H new ATOM 0 HA ASP A 30 6.615 -5.151 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.958 -4.859 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.223 -6.546 4.225 1.00 0.00 H new ATOM 482 N GLN A 31 6.610 -8.420 3.470 1.00 0.00 N ATOM 483 CA GLN A 31 6.217 -9.634 2.731 1.00 0.00 C ATOM 484 C GLN A 31 5.010 -10.295 3.410 1.00 0.00 C ATOM 485 O GLN A 31 4.749 -11.486 3.212 1.00 0.00 O ATOM 486 CB GLN A 31 7.425 -10.608 2.639 1.00 0.00 C ATOM 487 CG GLN A 31 8.653 -10.006 1.932 1.00 0.00 C ATOM 488 CD GLN A 31 9.851 -10.952 1.828 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.696 -12.170 1.727 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.052 -10.402 1.836 1.00 0.00 N ATOM 0 H GLN A 31 6.946 -8.611 4.414 1.00 0.00 H new ATOM 0 HA GLN A 31 5.922 -9.366 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.710 -10.915 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.115 -11.508 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.363 -9.696 0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.961 -9.108 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.149 -9.390 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.882 -10.989 1.757 1.00 0.00 H new ATOM 499 N THR A 32 4.290 -9.508 4.234 1.00 0.00 N ATOM 500 CA THR A 32 3.017 -9.923 4.809 1.00 0.00 C ATOM 501 C THR A 32 1.958 -10.070 3.685 1.00 0.00 C ATOM 502 O THR A 32 1.728 -9.113 2.926 1.00 0.00 O ATOM 503 CB THR A 32 2.544 -8.919 5.903 1.00 0.00 C ATOM 504 OG1 THR A 32 3.389 -9.033 7.056 1.00 0.00 O ATOM 505 CG2 THR A 32 1.086 -9.123 6.335 1.00 0.00 C ATOM 0 H THR A 32 4.583 -8.571 4.512 1.00 0.00 H new ATOM 0 HA THR A 32 3.148 -10.891 5.293 1.00 0.00 H new ATOM 0 HB THR A 32 2.611 -7.926 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.876 -8.810 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.827 -8.389 7.098 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.430 -8.998 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.964 -10.127 6.741 1.00 0.00 H new ATOM 513 N PRO A 33 1.334 -11.284 3.550 1.00 0.00 N ATOM 514 CA PRO A 33 0.247 -11.519 2.585 1.00 0.00 C ATOM 515 C PRO A 33 -1.039 -10.783 3.033 1.00 0.00 C ATOM 516 O PRO A 33 -1.877 -11.336 3.742 1.00 0.00 O ATOM 517 CB PRO A 33 0.101 -13.065 2.582 1.00 0.00 C ATOM 518 CG PRO A 33 0.578 -13.499 3.941 1.00 0.00 C ATOM 519 CD PRO A 33 1.662 -12.515 4.325 1.00 0.00 C ATOM 0 HA PRO A 33 0.445 -11.136 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.933 -13.364 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.698 -13.517 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.237 -13.487 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.965 -14.518 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.662 -12.322 5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.652 -12.894 4.070 1.00 0.00 H new ATOM 527 N LEU A 34 -1.129 -9.508 2.629 1.00 0.00 N ATOM 528 CA LEU A 34 -2.148 -8.547 3.085 1.00 0.00 C ATOM 529 C LEU A 34 -3.586 -9.025 2.756 1.00 0.00 C ATOM 530 O LEU A 34 -4.456 -9.082 3.640 1.00 0.00 O ATOM 531 CB LEU A 34 -1.878 -7.167 2.429 1.00 0.00 C ATOM 532 CG LEU A 34 -0.429 -6.578 2.584 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.275 -5.265 1.802 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.030 -6.389 4.063 1.00 0.00 C ATOM 0 H LEU A 34 -0.477 -9.104 1.957 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.077 -8.465 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.099 -7.248 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.583 -6.449 2.847 1.00 0.00 H new ATOM 0 HG LEU A 34 0.256 -7.311 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.738 -4.883 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.464 -5.447 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.989 -4.532 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.979 -5.980 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.727 -5.702 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.060 -7.351 4.574 1.00 0.00 H new ATOM 546 N LEU A 35 -3.810 -9.372 1.475 1.00 0.00 N ATOM 547 CA LEU A 35 -5.124 -9.848 0.979 1.00 0.00 C ATOM 548 C LEU A 35 -5.496 -11.210 1.575 1.00 0.00 C ATOM 549 O LEU A 35 -6.670 -11.474 1.837 1.00 0.00 O ATOM 550 CB LEU A 35 -5.119 -9.961 -0.557 1.00 0.00 C ATOM 551 CG LEU A 35 -4.923 -8.637 -1.346 1.00 0.00 C ATOM 552 CD1 LEU A 35 -4.882 -8.911 -2.851 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.008 -7.590 -1.003 1.00 0.00 C ATOM 0 H LEU A 35 -3.091 -9.332 0.753 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.865 -9.113 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.327 -10.652 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.062 -10.409 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.965 -8.214 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.744 -7.973 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.054 -9.583 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.819 -9.373 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.831 -6.681 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.991 -7.990 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.968 -7.360 0.062 1.00 0.00 H new ATOM 565 N GLU A 36 -4.482 -12.070 1.765 1.00 0.00 N ATOM 566 CA GLU A 36 -4.663 -13.419 2.322 1.00 0.00 C ATOM 567 C GLU A 36 -5.087 -13.320 3.802 1.00 0.00 C ATOM 568 O GLU A 36 -5.902 -14.113 4.275 1.00 0.00 O ATOM 569 CB GLU A 36 -3.353 -14.234 2.131 1.00 0.00 C ATOM 570 CG GLU A 36 -3.437 -15.752 2.434 1.00 0.00 C ATOM 571 CD GLU A 36 -3.277 -16.098 3.928 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.159 -15.927 4.455 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.263 -16.530 4.582 1.00 0.00 O ATOM 0 H GLU A 36 -3.513 -11.848 1.536 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.459 -13.946 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.020 -14.109 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.584 -13.800 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.397 -16.130 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.664 -16.270 1.866 1.00 0.00 H new ATOM 580 N TRP A 37 -4.538 -12.319 4.514 1.00 0.00 N ATOM 581 CA TRP A 37 -4.943 -12.001 5.897 1.00 0.00 C ATOM 582 C TRP A 37 -6.321 -11.312 5.916 1.00 0.00 C ATOM 583 O TRP A 37 -6.993 -11.297 6.953 1.00 0.00 O ATOM 584 CB TRP A 37 -3.866 -11.118 6.583 1.00 0.00 C ATOM 585 CG TRP A 37 -2.586 -11.852 6.946 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.129 -13.051 6.452 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.599 -11.422 7.890 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.928 -13.376 7.024 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.581 -12.396 7.911 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.479 -10.299 8.715 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.541 -12.282 8.723 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.364 -10.188 9.525 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.636 -11.176 9.522 1.00 0.00 C ATOM 0 H TRP A 37 -3.805 -11.710 4.150 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.029 -12.931 6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.619 -10.289 5.920 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.292 -10.686 7.489 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.644 -13.651 5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.382 -14.213 6.821 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.242 -9.534 8.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.311 -13.040 8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.260 -9.328 10.170 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.497 -11.059 10.164 1.00 0.00 H new ATOM 604 N GLY A 38 -6.729 -10.750 4.760 1.00 0.00 N ATOM 605 CA GLY A 38 -8.058 -10.161 4.587 1.00 0.00 C ATOM 606 C GLY A 38 -8.165 -8.757 5.144 1.00 0.00 C ATOM 607 O GLY A 38 -9.269 -8.237 5.311 1.00 0.00 O ATOM 0 H GLY A 38 -6.143 -10.695 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.305 -10.144 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.796 -10.796 5.076 1.00 0.00 H new ATOM 611 N ILE A 39 -7.005 -8.131 5.409 1.00 0.00 N ATOM 612 CA ILE A 39 -6.932 -6.803 6.040 1.00 0.00 C ATOM 613 C ILE A 39 -7.256 -5.682 5.032 1.00 0.00 C ATOM 614 O ILE A 39 -7.478 -4.540 5.436 1.00 0.00 O ATOM 615 CB ILE A 39 -5.526 -6.551 6.701 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.394 -6.455 5.629 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.207 -7.658 7.740 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.014 -6.197 6.195 1.00 0.00 C ATOM 0 H ILE A 39 -6.093 -8.532 5.192 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.685 -6.785 6.828 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.570 -5.592 7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.371 -7.384 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.641 -5.657 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.231 -7.467 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.969 -7.656 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.196 -8.629 7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.291 -6.145 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.015 -5.253 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.741 -7.007 6.872 1.00 0.00 H new ATOM 630 N LEU A 40 -7.272 -6.015 3.717 1.00 0.00 N ATOM 631 CA LEU A 40 -7.539 -5.041 2.640 1.00 0.00 C ATOM 632 C LEU A 40 -8.922 -5.295 2.020 1.00 0.00 C ATOM 633 O LEU A 40 -9.049 -6.018 1.027 1.00 0.00 O ATOM 634 CB LEU A 40 -6.447 -5.076 1.534 1.00 0.00 C ATOM 635 CG LEU A 40 -4.981 -4.782 1.973 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.033 -4.709 0.752 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.895 -3.500 2.826 1.00 0.00 C ATOM 0 H LEU A 40 -7.101 -6.962 3.379 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.519 -4.049 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.469 -6.061 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.721 -4.353 0.765 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.653 -5.613 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.018 -4.503 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.051 -5.660 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.361 -3.913 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.859 -3.324 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.259 -2.652 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.507 -3.617 3.721 1.00 0.00 H new ATOM 649 N ASN A 41 -9.957 -4.752 2.665 1.00 0.00 N ATOM 650 CA ASN A 41 -11.298 -4.602 2.069 1.00 0.00 C ATOM 651 C ASN A 41 -11.288 -3.353 1.180 1.00 0.00 C ATOM 652 O ASN A 41 -10.438 -2.471 1.387 1.00 0.00 O ATOM 653 CB ASN A 41 -12.375 -4.473 3.178 1.00 0.00 C ATOM 654 CG ASN A 41 -12.390 -5.665 4.134 1.00 0.00 C ATOM 655 OD1 ASN A 41 -11.717 -5.667 5.170 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.135 -6.695 3.779 1.00 0.00 N ATOM 0 H ASN A 41 -9.894 -4.400 3.620 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.543 -5.482 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.197 -3.560 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.356 -4.373 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.168 -7.528 4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.678 -6.658 2.916 1.00 0.00 H new ATOM 663 N SER A 42 -12.228 -3.257 0.214 1.00 0.00 N ATOM 664 CA SER A 42 -12.230 -2.158 -0.772 1.00 0.00 C ATOM 665 C SER A 42 -12.371 -0.777 -0.088 1.00 0.00 C ATOM 666 O SER A 42 -11.820 0.222 -0.565 1.00 0.00 O ATOM 667 CB SER A 42 -13.335 -2.337 -1.830 1.00 0.00 C ATOM 668 OG SER A 42 -13.084 -1.469 -2.935 1.00 0.00 O ATOM 0 H SER A 42 -12.991 -3.924 0.098 1.00 0.00 H new ATOM 0 HA SER A 42 -11.265 -2.196 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.365 -3.373 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.309 -2.115 -1.394 1.00 0.00 H new ATOM 673 N MET A 43 -13.084 -0.753 1.048 1.00 0.00 N ATOM 674 CA MET A 43 -13.323 0.466 1.835 1.00 0.00 C ATOM 675 C MET A 43 -12.007 1.026 2.423 1.00 0.00 C ATOM 676 O MET A 43 -11.791 2.240 2.409 1.00 0.00 O ATOM 677 CB MET A 43 -14.350 0.175 2.971 1.00 0.00 C ATOM 678 CG MET A 43 -15.762 -0.215 2.485 1.00 0.00 C ATOM 679 SD MET A 43 -15.785 -1.758 1.532 1.00 0.00 S ATOM 680 CE MET A 43 -16.528 -1.250 -0.024 1.00 0.00 C ATOM 0 H MET A 43 -13.514 -1.586 1.450 1.00 0.00 H new ATOM 0 HA MET A 43 -13.735 1.224 1.169 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.961 -0.629 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.430 1.059 3.604 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.421 -0.317 3.347 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.164 0.591 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.596 -2.109 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.527 -0.855 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.912 -0.478 -0.486 1.00 0.00 H new ATOM 690 N ASN A 44 -11.147 0.143 2.957 1.00 0.00 N ATOM 691 CA ASN A 44 -9.871 0.556 3.576 1.00 0.00 C ATOM 692 C ASN A 44 -8.686 0.566 2.577 1.00 0.00 C ATOM 693 O ASN A 44 -7.630 1.123 2.892 1.00 0.00 O ATOM 694 CB ASN A 44 -9.546 -0.273 4.838 1.00 0.00 C ATOM 695 CG ASN A 44 -9.235 -1.736 4.550 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.108 -2.593 4.608 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.997 -2.023 4.199 1.00 0.00 N ATOM 0 H ASN A 44 -11.310 -0.864 2.974 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.013 1.590 3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.693 0.177 5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.391 -0.219 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.743 -2.983 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.294 -1.285 4.161 1.00 0.00 H new ATOM 704 N ILE A 45 -8.831 -0.075 1.389 1.00 0.00 N ATOM 705 CA ILE A 45 -7.728 -0.120 0.387 1.00 0.00 C ATOM 706 C ILE A 45 -7.604 1.243 -0.336 1.00 0.00 C ATOM 707 O ILE A 45 -6.505 1.660 -0.721 1.00 0.00 O ATOM 708 CB ILE A 45 -7.897 -1.292 -0.664 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.539 -1.593 -1.381 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.000 -0.980 -1.713 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.568 -2.767 -2.356 1.00 0.00 C ATOM 0 H ILE A 45 -9.682 -0.560 1.103 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.809 -0.324 0.937 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.210 -2.177 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.225 -0.700 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.781 -1.789 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.081 -1.811 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.954 -0.838 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.739 -0.072 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.581 -2.895 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.846 -3.676 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.297 -2.570 -3.142 1.00 0.00 H new ATOM 723 N VAL A 46 -8.748 1.932 -0.502 1.00 0.00 N ATOM 724 CA VAL A 46 -8.802 3.272 -1.112 1.00 0.00 C ATOM 725 C VAL A 46 -8.141 4.319 -0.185 1.00 0.00 C ATOM 726 O VAL A 46 -7.637 5.346 -0.655 1.00 0.00 O ATOM 727 CB VAL A 46 -10.281 3.690 -1.472 1.00 0.00 C ATOM 728 CG1 VAL A 46 -10.897 2.716 -2.517 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.175 3.793 -0.209 1.00 0.00 C ATOM 0 H VAL A 46 -9.660 1.575 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.240 3.234 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.238 4.683 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.916 3.027 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.298 2.733 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.909 1.705 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.184 4.083 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.206 2.827 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.764 4.542 0.468 1.00 0.00 H new ATOM 739 N LYS A 47 -8.118 4.004 1.131 1.00 0.00 N ATOM 740 CA LYS A 47 -7.459 4.820 2.165 1.00 0.00 C ATOM 741 C LYS A 47 -5.931 4.784 1.949 1.00 0.00 C ATOM 742 O LYS A 47 -5.236 5.772 2.199 1.00 0.00 O ATOM 743 CB LYS A 47 -7.818 4.288 3.582 1.00 0.00 C ATOM 744 CG LYS A 47 -9.322 3.990 3.807 1.00 0.00 C ATOM 745 CD LYS A 47 -10.216 5.225 4.028 1.00 0.00 C ATOM 746 CE LYS A 47 -10.104 5.808 5.456 1.00 0.00 C ATOM 747 NZ LYS A 47 -8.826 6.512 5.718 1.00 0.00 N ATOM 0 H LYS A 47 -8.563 3.165 1.504 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.808 5.850 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.251 3.376 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.493 5.020 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.699 3.440 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.419 3.333 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.946 5.995 3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.254 4.954 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.930 6.500 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.217 4.999 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.946 7.163 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.087 5.817 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.547 7.051 4.874 1.00 0.00 H new ATOM 761 N LEU A 48 -5.426 3.616 1.485 1.00 0.00 N ATOM 762 CA LEU A 48 -4.021 3.449 1.086 1.00 0.00 C ATOM 763 C LEU A 48 -3.722 4.306 -0.147 1.00 0.00 C ATOM 764 O LEU A 48 -2.781 5.081 -0.129 1.00 0.00 O ATOM 765 CB LEU A 48 -3.685 1.960 0.797 1.00 0.00 C ATOM 766 CG LEU A 48 -3.627 1.015 2.034 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.316 -0.445 1.620 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.602 1.527 3.075 1.00 0.00 C ATOM 0 H LEU A 48 -5.985 2.769 1.380 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.394 3.777 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.429 1.570 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.722 1.919 0.289 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.613 1.021 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.283 -1.076 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.094 -0.806 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.352 -0.482 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.581 0.849 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.612 1.569 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.890 2.523 3.410 1.00 0.00 H new ATOM 780 N MET A 49 -4.557 4.189 -1.198 1.00 0.00 N ATOM 781 CA MET A 49 -4.312 4.869 -2.493 1.00 0.00 C ATOM 782 C MET A 49 -4.174 6.404 -2.340 1.00 0.00 C ATOM 783 O MET A 49 -3.351 7.028 -3.027 1.00 0.00 O ATOM 784 CB MET A 49 -5.422 4.541 -3.514 1.00 0.00 C ATOM 785 CG MET A 49 -5.449 3.078 -3.979 1.00 0.00 C ATOM 786 SD MET A 49 -6.372 2.873 -5.515 1.00 0.00 S ATOM 787 CE MET A 49 -8.061 3.114 -5.006 1.00 0.00 C ATOM 0 H MET A 49 -5.410 3.630 -1.179 1.00 0.00 H new ATOM 0 HA MET A 49 -3.361 4.486 -2.864 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.388 4.786 -3.072 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.298 5.184 -4.386 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.428 2.724 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.897 2.459 -3.202 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.670 3.364 -5.874 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.438 2.198 -4.550 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.110 3.927 -4.282 1.00 0.00 H new ATOM 797 N VAL A 50 -4.976 6.990 -1.429 1.00 0.00 N ATOM 798 CA VAL A 50 -4.935 8.436 -1.132 1.00 0.00 C ATOM 799 C VAL A 50 -3.720 8.796 -0.234 1.00 0.00 C ATOM 800 O VAL A 50 -3.214 9.923 -0.291 1.00 0.00 O ATOM 801 CB VAL A 50 -6.284 8.941 -0.487 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.496 8.585 -1.396 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.478 8.398 0.954 1.00 0.00 C ATOM 0 H VAL A 50 -5.667 6.478 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.814 8.954 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.225 10.027 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.416 8.942 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.372 9.059 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.550 7.504 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.419 8.770 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.498 7.308 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.654 8.733 1.583 1.00 0.00 H new ATOM 813 N TYR A 51 -3.268 7.825 0.588 1.00 0.00 N ATOM 814 CA TYR A 51 -2.077 7.979 1.449 1.00 0.00 C ATOM 815 C TYR A 51 -0.801 8.051 0.581 1.00 0.00 C ATOM 816 O TYR A 51 0.024 8.937 0.766 1.00 0.00 O ATOM 817 CB TYR A 51 -1.985 6.807 2.460 1.00 0.00 C ATOM 818 CG TYR A 51 -0.771 6.875 3.406 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.755 7.771 4.482 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.357 6.063 3.219 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.325 7.847 5.339 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.438 6.137 4.075 1.00 0.00 C ATOM 823 CZ TYR A 51 1.420 7.035 5.133 1.00 0.00 C ATOM 824 OH TYR A 51 2.502 7.130 5.981 1.00 0.00 O ATOM 0 H TYR A 51 -3.718 6.914 0.673 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.168 8.908 2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.896 6.787 3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.947 5.869 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.605 8.416 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.381 5.369 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.312 8.540 6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.295 5.498 3.922 1.00 0.00 H new ATOM 0 HH TYR A 51 2.760 6.234 6.284 1.00 0.00 H new ATOM 834 N ILE A 52 -0.670 7.100 -0.369 1.00 0.00 N ATOM 835 CA ILE A 52 0.460 7.056 -1.331 1.00 0.00 C ATOM 836 C ILE A 52 0.400 8.291 -2.279 1.00 0.00 C ATOM 837 O ILE A 52 1.441 8.832 -2.680 1.00 0.00 O ATOM 838 CB ILE A 52 0.497 5.688 -2.157 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.935 4.456 -1.276 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.429 5.772 -3.402 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.011 4.015 -0.178 1.00 0.00 C ATOM 0 H ILE A 52 -1.341 6.342 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 52 1.388 7.096 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.530 5.534 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.099 3.608 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.895 4.693 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.419 4.818 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.075 6.558 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.446 5.999 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.415 3.160 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.160 4.835 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.969 3.733 -0.615 1.00 0.00 H new ATOM 853 N ARG A 53 -0.834 8.743 -2.597 1.00 0.00 N ATOM 854 CA ARG A 53 -1.077 9.955 -3.408 1.00 0.00 C ATOM 855 C ARG A 53 -0.496 11.212 -2.728 1.00 0.00 C ATOM 856 O ARG A 53 0.035 12.100 -3.404 1.00 0.00 O ATOM 857 CB ARG A 53 -2.594 10.131 -3.681 1.00 0.00 C ATOM 858 CG ARG A 53 -2.979 11.439 -4.414 1.00 0.00 C ATOM 859 CD ARG A 53 -4.494 11.609 -4.583 1.00 0.00 C ATOM 860 NE ARG A 53 -4.849 12.983 -4.979 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.092 13.425 -5.219 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.133 12.605 -5.126 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.289 14.699 -5.513 1.00 0.00 N ATOM 0 H ARG A 53 -1.690 8.276 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.565 9.828 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.942 9.284 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.126 10.095 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.583 12.290 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.506 11.451 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.857 10.909 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.994 11.359 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.087 13.653 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.991 11.628 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.074 12.952 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.497 15.341 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.233 15.040 -5.696 1.00 0.00 H new ATOM 877 N ASP A 54 -0.599 11.271 -1.396 1.00 0.00 N ATOM 878 CA ASP A 54 -0.105 12.417 -0.618 1.00 0.00 C ATOM 879 C ASP A 54 1.415 12.295 -0.364 1.00 0.00 C ATOM 880 O ASP A 54 2.191 13.183 -0.740 1.00 0.00 O ATOM 881 CB ASP A 54 -0.887 12.521 0.717 1.00 0.00 C ATOM 882 CG ASP A 54 -0.423 13.700 1.593 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.681 14.863 1.216 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.219 13.477 2.643 1.00 0.00 O ATOM 0 H ASP A 54 -1.022 10.535 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.270 13.330 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.950 12.631 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.769 11.592 1.275 1.00 0.00 H new ATOM 889 N GLU A 55 1.811 11.173 0.252 1.00 0.00 N ATOM 890 CA GLU A 55 3.188 10.926 0.742 1.00 0.00 C ATOM 891 C GLU A 55 4.197 10.741 -0.407 1.00 0.00 C ATOM 892 O GLU A 55 5.219 11.436 -0.473 1.00 0.00 O ATOM 893 CB GLU A 55 3.181 9.668 1.646 1.00 0.00 C ATOM 894 CG GLU A 55 2.355 9.802 2.933 1.00 0.00 C ATOM 895 CD GLU A 55 3.078 10.606 4.015 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.907 10.019 4.745 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.848 11.826 4.137 1.00 0.00 O ATOM 0 H GLU A 55 1.178 10.393 0.430 1.00 0.00 H new ATOM 0 HA GLU A 55 3.507 11.802 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.796 8.827 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.209 9.426 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.405 10.283 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.124 8.808 3.317 1.00 0.00 H new ATOM 904 N MET A 56 3.907 9.774 -1.289 1.00 0.00 N ATOM 905 CA MET A 56 4.775 9.430 -2.438 1.00 0.00 C ATOM 906 C MET A 56 4.511 10.353 -3.645 1.00 0.00 C ATOM 907 O MET A 56 5.359 10.471 -4.540 1.00 0.00 O ATOM 908 CB MET A 56 4.595 7.929 -2.833 1.00 0.00 C ATOM 909 CG MET A 56 5.571 6.969 -2.138 1.00 0.00 C ATOM 910 SD MET A 56 5.591 7.120 -0.329 1.00 0.00 S ATOM 911 CE MET A 56 3.939 6.594 0.119 1.00 0.00 C ATOM 0 H MET A 56 3.063 9.204 -1.231 1.00 0.00 H new ATOM 0 HA MET A 56 5.809 9.584 -2.131 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.575 7.624 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.716 7.833 -3.912 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.309 5.945 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.576 7.150 -2.519 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.806 6.692 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.207 7.217 -0.395 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.797 5.553 -0.171 1.00 0.00 H new ATOM 921 N GLY A 57 3.326 10.991 -3.662 1.00 0.00 N ATOM 922 CA GLY A 57 2.897 11.818 -4.792 1.00 0.00 C ATOM 923 C GLY A 57 2.365 10.986 -5.957 1.00 0.00 C ATOM 924 O GLY A 57 2.187 11.511 -7.062 1.00 0.00 O ATOM 0 H GLY A 57 2.650 10.946 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.122 12.508 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.737 12.423 -5.135 1.00 0.00 H new ATOM 928 N VAL A 58 2.081 9.696 -5.695 1.00 0.00 N ATOM 929 CA VAL A 58 1.669 8.719 -6.717 1.00 0.00 C ATOM 930 C VAL A 58 0.209 8.318 -6.481 1.00 0.00 C ATOM 931 O VAL A 58 -0.100 7.685 -5.467 1.00 0.00 O ATOM 932 CB VAL A 58 2.565 7.423 -6.654 1.00 0.00 C ATOM 933 CG1 VAL A 58 2.190 6.413 -7.777 1.00 0.00 C ATOM 934 CG2 VAL A 58 4.073 7.780 -6.679 1.00 0.00 C ATOM 0 H VAL A 58 2.132 9.300 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 58 1.785 9.183 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 58 2.365 6.930 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.828 5.532 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.147 6.116 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.332 6.882 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.664 6.865 -6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.305 8.317 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.312 8.409 -5.821 1.00 0.00 H new ATOM 944 N SER A 59 -0.681 8.677 -7.408 1.00 0.00 N ATOM 945 CA SER A 59 -2.090 8.265 -7.341 1.00 0.00 C ATOM 946 C SER A 59 -2.244 6.890 -8.017 1.00 0.00 C ATOM 947 O SER A 59 -1.904 6.730 -9.198 1.00 0.00 O ATOM 948 CB SER A 59 -3.001 9.318 -8.006 1.00 0.00 C ATOM 949 OG SER A 59 -4.368 8.943 -7.950 1.00 0.00 O ATOM 0 H SER A 59 -0.453 9.254 -8.218 1.00 0.00 H new ATOM 0 HA SER A 59 -2.396 8.185 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.867 10.279 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.703 9.452 -9.046 1.00 0.00 H new ATOM 0 HG SER A 59 -4.915 9.634 -8.379 1.00 0.00 H new ATOM 955 N ILE A 60 -2.701 5.900 -7.242 1.00 0.00 N ATOM 956 CA ILE A 60 -3.026 4.568 -7.757 1.00 0.00 C ATOM 957 C ILE A 60 -4.480 4.594 -8.271 1.00 0.00 C ATOM 958 O ILE A 60 -5.392 4.890 -7.490 1.00 0.00 O ATOM 959 CB ILE A 60 -2.860 3.450 -6.663 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.394 3.462 -6.095 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.264 2.049 -7.231 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.132 2.514 -4.927 1.00 0.00 C ATOM 0 H ILE A 60 -2.856 6.001 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.332 4.325 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.536 3.660 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.708 3.212 -6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.155 4.477 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.141 1.293 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.305 2.073 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.628 1.804 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.092 2.602 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.785 2.774 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.331 1.489 -5.239 1.00 0.00 H new ATOM 974 N PRO A 61 -4.718 4.345 -9.593 1.00 0.00 N ATOM 975 CA PRO A 61 -6.090 4.241 -10.125 1.00 0.00 C ATOM 976 C PRO A 61 -6.792 2.927 -9.707 1.00 0.00 C ATOM 977 O PRO A 61 -6.139 1.912 -9.433 1.00 0.00 O ATOM 978 CB PRO A 61 -5.881 4.323 -11.660 1.00 0.00 C ATOM 979 CG PRO A 61 -4.493 3.792 -11.887 1.00 0.00 C ATOM 980 CD PRO A 61 -3.691 4.197 -10.663 1.00 0.00 C ATOM 0 HA PRO A 61 -6.747 5.021 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.624 3.729 -12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.976 5.348 -12.018 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.503 2.709 -12.007 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.058 4.209 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.950 3.441 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.151 5.129 -10.830 1.00 0.00 H new ATOM 988 N SER A 62 -8.133 2.979 -9.699 1.00 0.00 N ATOM 989 CA SER A 62 -9.002 1.850 -9.316 1.00 0.00 C ATOM 990 C SER A 62 -8.923 0.689 -10.333 1.00 0.00 C ATOM 991 O SER A 62 -9.137 -0.474 -9.978 1.00 0.00 O ATOM 992 CB SER A 62 -10.441 2.360 -9.169 1.00 0.00 C ATOM 993 OG SER A 62 -10.835 3.102 -10.300 1.00 0.00 O ATOM 0 H SER A 62 -8.653 3.816 -9.961 1.00 0.00 H new ATOM 0 HA SER A 62 -8.657 1.448 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.117 1.516 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.520 2.981 -8.277 1.00 0.00 H new ATOM 0 HG SER A 62 -11.756 3.414 -10.182 1.00 0.00 H new ATOM 999 N THR A 63 -8.580 1.019 -11.598 1.00 0.00 N ATOM 1000 CA THR A 63 -8.389 0.028 -12.667 1.00 0.00 C ATOM 1001 C THR A 63 -7.089 -0.797 -12.447 1.00 0.00 C ATOM 1002 O THR A 63 -6.892 -1.840 -13.085 1.00 0.00 O ATOM 1003 CB THR A 63 -8.369 0.729 -14.077 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.426 -0.258 -15.120 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.119 1.613 -14.282 1.00 0.00 C ATOM 0 H THR A 63 -8.429 1.981 -11.901 1.00 0.00 H new ATOM 0 HA THR A 63 -9.232 -0.663 -12.636 1.00 0.00 H new ATOM 0 HB THR A 63 -9.245 1.377 -14.120 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.911 -1.048 -14.852 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.156 2.072 -15.270 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.096 2.392 -13.520 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.222 0.999 -14.201 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.200 -0.315 -11.547 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.924 -0.984 -11.227 1.00 0.00 C ATOM 1015 C HIS A 64 -5.052 -1.841 -9.942 1.00 0.00 C ATOM 1016 O HIS A 64 -4.087 -2.513 -9.541 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.786 0.070 -11.080 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.444 -0.451 -11.503 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.065 -0.529 -12.829 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.420 -0.971 -10.798 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -0.871 -1.068 -12.913 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.461 -1.340 -11.703 1.00 0.00 N ATOM 0 H HIS A 64 -6.350 0.548 -11.025 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.672 -1.655 -12.049 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.033 0.948 -11.677 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.732 0.395 -10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.366 -1.077 -9.725 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.323 -1.254 -13.825 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.437 -1.763 -11.468 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.243 -1.802 -9.308 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.523 -2.552 -8.069 1.00 0.00 C ATOM 1033 C ILE A 65 -6.795 -4.016 -8.414 1.00 0.00 C ATOM 1034 O ILE A 65 -7.911 -4.396 -8.788 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.718 -1.936 -7.242 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.422 -0.445 -6.913 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.998 -2.741 -5.935 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.140 -0.221 -6.136 1.00 0.00 C ATOM 0 H ILE A 65 -7.034 -1.251 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.643 -2.482 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.616 -1.997 -7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.371 0.118 -7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.256 -0.039 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.828 -2.283 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.254 -3.770 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.108 -2.733 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.010 0.845 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.193 -0.753 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.294 -0.594 -6.714 1.00 0.00 H new ATOM 1050 N THR A 66 -5.726 -4.802 -8.345 1.00 0.00 N ATOM 1051 CA THR A 66 -5.759 -6.247 -8.535 1.00 0.00 C ATOM 1052 C THR A 66 -4.801 -6.905 -7.538 1.00 0.00 C ATOM 1053 O THR A 66 -3.818 -6.286 -7.089 1.00 0.00 O ATOM 1054 CB THR A 66 -5.416 -6.668 -10.008 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.351 -8.100 -10.114 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.092 -6.061 -10.498 1.00 0.00 C ATOM 0 H THR A 66 -4.791 -4.443 -8.151 1.00 0.00 H new ATOM 0 HA THR A 66 -6.777 -6.591 -8.351 1.00 0.00 H new ATOM 0 HB THR A 66 -6.215 -6.282 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.018 -8.411 -10.762 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.901 -6.383 -11.522 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.156 -4.973 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.278 -6.396 -9.855 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.097 -8.176 -7.222 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.393 -8.918 -6.197 1.00 0.00 C ATOM 1066 C GLY A 67 -2.984 -9.316 -6.573 1.00 0.00 C ATOM 1067 O GLY A 67 -2.218 -9.715 -5.711 1.00 0.00 O ATOM 0 H GLY A 67 -5.837 -8.708 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.358 -8.316 -5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.961 -9.818 -5.961 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.652 -9.198 -7.863 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.293 -9.435 -8.364 1.00 0.00 C ATOM 1073 C LYS A 68 -0.284 -8.430 -7.750 1.00 0.00 C ATOM 1074 O LYS A 68 0.877 -8.775 -7.498 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.284 -9.341 -9.910 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.182 -10.395 -10.612 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.094 -10.329 -12.157 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.662 -9.018 -12.737 1.00 0.00 C ATOM 1079 NZ LYS A 68 -4.119 -8.893 -12.499 1.00 0.00 N ATOM 0 H LYS A 68 -3.318 -8.935 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.983 -10.436 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.613 -8.344 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.260 -9.457 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.892 -11.392 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.217 -10.245 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.052 -10.433 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.636 -11.173 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.147 -8.169 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.465 -8.980 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.525 -8.219 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.571 -9.822 -12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.285 -8.551 -11.531 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.745 -7.183 -7.533 1.00 0.00 N ATOM 1094 CA TYR A 69 0.052 -6.106 -6.919 1.00 0.00 C ATOM 1095 C TYR A 69 -0.193 -6.015 -5.398 1.00 0.00 C ATOM 1096 O TYR A 69 0.744 -5.995 -4.609 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.267 -4.760 -7.618 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.042 -4.807 -9.138 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.189 -5.209 -9.670 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.054 -4.468 -10.039 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.396 -5.271 -11.033 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.850 -4.531 -11.402 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.372 -4.932 -11.896 1.00 0.00 C ATOM 1104 OH TYR A 69 0.571 -4.988 -13.259 1.00 0.00 O ATOM 0 H TYR A 69 -1.691 -6.893 -7.782 1.00 0.00 H new ATOM 0 HA TYR A 69 1.109 -6.336 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.304 -4.489 -7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.356 -3.976 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.993 -5.476 -9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.015 -4.150 -9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.354 -5.583 -11.423 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.647 -4.266 -12.081 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.250 -4.719 -13.721 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.467 -5.990 -4.984 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.845 -5.680 -3.582 1.00 0.00 C ATOM 1116 C PHE A 70 -1.813 -6.910 -2.654 1.00 0.00 C ATOM 1117 O PHE A 70 -2.252 -6.819 -1.502 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.220 -4.960 -3.567 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.112 -3.520 -4.064 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.082 -3.229 -5.429 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -2.982 -2.462 -3.159 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.923 -1.932 -5.870 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -2.835 -1.168 -3.601 1.00 0.00 C ATOM 1124 CZ PHE A 70 -2.803 -0.901 -4.954 1.00 0.00 C ATOM 0 H PHE A 70 -2.261 -6.180 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.091 -5.009 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.924 -5.508 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.622 -4.966 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.184 -4.029 -6.148 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.997 -2.664 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.892 -1.721 -6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.745 -0.361 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.684 0.115 -5.300 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.251 -8.037 -3.153 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.044 -9.276 -2.368 1.00 0.00 C ATOM 1136 C LYS A 71 -0.105 -9.024 -1.172 1.00 0.00 C ATOM 1137 O LYS A 71 -0.371 -9.478 -0.063 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.463 -10.409 -3.270 1.00 0.00 C ATOM 1139 CG LYS A 71 0.818 -10.021 -4.063 1.00 0.00 C ATOM 1140 CD LYS A 71 1.452 -11.207 -4.821 1.00 0.00 C ATOM 1141 CE LYS A 71 0.521 -11.806 -5.897 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.168 -12.912 -6.641 1.00 0.00 N ATOM 0 H LYS A 71 -0.927 -8.112 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.015 -9.592 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.238 -11.273 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.231 -10.720 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.571 -9.234 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.552 -9.606 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.377 -10.876 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.720 -11.986 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.390 -12.172 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.225 -11.024 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.508 -13.284 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.024 -12.558 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.427 -13.671 -5.979 1.00 0.00 H new ATOM 1156 N ASP A 72 0.983 -8.268 -1.428 1.00 0.00 N ATOM 1157 CA ASP A 72 2.043 -7.965 -0.449 1.00 0.00 C ATOM 1158 C ASP A 72 2.409 -6.494 -0.566 1.00 0.00 C ATOM 1159 O ASP A 72 2.302 -5.914 -1.647 1.00 0.00 O ATOM 1160 CB ASP A 72 3.324 -8.824 -0.696 1.00 0.00 C ATOM 1161 CG ASP A 72 3.068 -10.332 -0.559 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.003 -10.835 0.579 1.00 0.00 O ATOM 1163 OD2 ASP A 72 2.911 -11.021 -1.589 1.00 0.00 O ATOM 0 H ASP A 72 1.151 -7.843 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 72 1.665 -8.200 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.708 -8.615 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.097 -8.526 0.012 1.00 0.00 H new ATOM 1168 N LEU A 73 2.871 -5.925 0.552 1.00 0.00 N ATOM 1169 CA LEU A 73 3.410 -4.552 0.635 1.00 0.00 C ATOM 1170 C LEU A 73 4.591 -4.362 -0.341 1.00 0.00 C ATOM 1171 O LEU A 73 4.756 -3.291 -0.940 1.00 0.00 O ATOM 1172 CB LEU A 73 3.854 -4.306 2.092 1.00 0.00 C ATOM 1173 CG LEU A 73 4.520 -2.936 2.383 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.545 -1.763 2.150 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.124 -2.915 3.790 1.00 0.00 C ATOM 0 H LEU A 73 2.884 -6.412 1.448 1.00 0.00 H new ATOM 0 HA LEU A 73 2.644 -3.831 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.982 -4.407 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.553 -5.093 2.375 1.00 0.00 H new ATOM 0 HG LEU A 73 5.336 -2.802 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.051 -0.822 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.212 -1.767 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.683 -1.870 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.586 -1.945 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.339 -3.088 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.878 -3.698 3.874 1.00 0.00 H new ATOM 1187 N ASN A 74 5.382 -5.432 -0.488 1.00 0.00 N ATOM 1188 CA ASN A 74 6.496 -5.531 -1.446 1.00 0.00 C ATOM 1189 C ASN A 74 6.002 -5.248 -2.878 1.00 0.00 C ATOM 1190 O ASN A 74 6.539 -4.398 -3.606 1.00 0.00 O ATOM 1191 CB ASN A 74 7.067 -6.975 -1.374 1.00 0.00 C ATOM 1192 CG ASN A 74 8.429 -7.133 -2.035 1.00 0.00 C ATOM 1193 OD1 ASN A 74 8.528 -7.357 -3.235 1.00 0.00 O ATOM 1194 ND2 ASN A 74 9.486 -7.044 -1.245 1.00 0.00 N ATOM 0 H ASN A 74 5.264 -6.277 0.070 1.00 0.00 H new ATOM 0 HA ASN A 74 7.263 -4.798 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.145 -7.273 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.362 -7.658 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.423 -7.163 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.365 -6.856 -0.250 1.00 0.00 H new ATOM 1201 N ALA A 75 4.929 -5.963 -3.224 1.00 0.00 N ATOM 1202 CA ALA A 75 4.328 -5.973 -4.555 1.00 0.00 C ATOM 1203 C ALA A 75 3.462 -4.713 -4.798 1.00 0.00 C ATOM 1204 O ALA A 75 3.126 -4.397 -5.944 1.00 0.00 O ATOM 1205 CB ALA A 75 3.523 -7.271 -4.703 1.00 0.00 C ATOM 0 H ALA A 75 4.441 -6.569 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 75 5.107 -5.944 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.063 -7.303 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.188 -8.127 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.746 -7.306 -3.939 1.00 0.00 H new ATOM 1211 N ILE A 76 3.073 -4.024 -3.713 1.00 0.00 N ATOM 1212 CA ILE A 76 2.420 -2.704 -3.794 1.00 0.00 C ATOM 1213 C ILE A 76 3.453 -1.647 -4.207 1.00 0.00 C ATOM 1214 O ILE A 76 3.212 -0.865 -5.126 1.00 0.00 O ATOM 1215 CB ILE A 76 1.747 -2.307 -2.422 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.543 -3.248 -2.124 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.319 -0.811 -2.365 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.175 -2.975 -0.817 1.00 0.00 C ATOM 0 H ILE A 76 3.201 -4.362 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 76 1.630 -2.756 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 76 2.501 -2.434 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.175 -3.164 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.899 -4.278 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.863 -0.600 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.195 -0.177 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.599 -0.608 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.997 -3.681 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.523 -3.089 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.568 -1.958 -0.823 1.00 0.00 H new ATOM 1230 N SER A 77 4.621 -1.672 -3.545 1.00 0.00 N ATOM 1231 CA SER A 77 5.679 -0.659 -3.730 1.00 0.00 C ATOM 1232 C SER A 77 6.258 -0.729 -5.149 1.00 0.00 C ATOM 1233 O SER A 77 6.623 0.309 -5.724 1.00 0.00 O ATOM 1234 CB SER A 77 6.788 -0.857 -2.683 1.00 0.00 C ATOM 1235 OG SER A 77 7.789 0.143 -2.774 1.00 0.00 O ATOM 0 H SER A 77 4.861 -2.394 -2.866 1.00 0.00 H new ATOM 0 HA SER A 77 5.240 0.329 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.351 -0.843 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.243 -1.838 -2.818 1.00 0.00 H new ATOM 0 HG SER A 77 8.474 -0.017 -2.092 1.00 0.00 H new ATOM 1241 N ARG A 78 6.315 -1.963 -5.706 1.00 0.00 N ATOM 1242 CA ARG A 78 6.808 -2.199 -7.075 1.00 0.00 C ATOM 1243 C ARG A 78 5.912 -1.472 -8.108 1.00 0.00 C ATOM 1244 O ARG A 78 6.407 -0.879 -9.077 1.00 0.00 O ATOM 1245 CB ARG A 78 6.903 -3.723 -7.396 1.00 0.00 C ATOM 1246 CG ARG A 78 5.603 -4.387 -7.917 1.00 0.00 C ATOM 1247 CD ARG A 78 5.715 -5.906 -8.102 1.00 0.00 C ATOM 1248 NE ARG A 78 6.803 -6.270 -9.019 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.681 -6.505 -10.336 1.00 0.00 C ATOM 1250 NH1 ARG A 78 5.504 -6.407 -10.952 1.00 0.00 N ATOM 1251 NH2 ARG A 78 7.749 -6.850 -11.028 1.00 0.00 N ATOM 0 H ARG A 78 6.023 -2.811 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 78 7.816 -1.788 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.686 -3.870 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.219 -4.246 -6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.793 -4.174 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.331 -3.933 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.884 -6.378 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.772 -6.295 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 78 7.738 -6.352 -8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.671 -6.149 -10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.436 -6.590 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.653 -6.935 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.672 -7.032 -12.029 1.00 0.00 H new ATOM 1265 N THR A 79 4.586 -1.504 -7.869 1.00 0.00 N ATOM 1266 CA THR A 79 3.610 -0.959 -8.806 1.00 0.00 C ATOM 1267 C THR A 79 3.477 0.557 -8.604 1.00 0.00 C ATOM 1268 O THR A 79 3.180 1.261 -9.553 1.00 0.00 O ATOM 1269 CB THR A 79 2.220 -1.694 -8.709 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.552 -1.578 -9.958 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.286 -1.160 -7.602 1.00 0.00 C ATOM 0 H THR A 79 4.174 -1.906 -7.027 1.00 0.00 H new ATOM 0 HA THR A 79 3.973 -1.137 -9.818 1.00 0.00 H new ATOM 0 HB THR A 79 2.443 -2.729 -8.450 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.749 -0.704 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.353 -1.724 -7.609 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.770 -1.272 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.074 -0.106 -7.782 1.00 0.00 H new ATOM 1279 N VAL A 80 3.737 1.042 -7.365 1.00 0.00 N ATOM 1280 CA VAL A 80 3.763 2.490 -7.042 1.00 0.00 C ATOM 1281 C VAL A 80 4.836 3.205 -7.894 1.00 0.00 C ATOM 1282 O VAL A 80 4.586 4.286 -8.435 1.00 0.00 O ATOM 1283 CB VAL A 80 4.033 2.731 -5.497 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.415 4.207 -5.176 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.817 2.279 -4.641 1.00 0.00 C ATOM 0 H VAL A 80 3.934 0.442 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 80 2.784 2.908 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 80 4.894 2.117 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.588 4.313 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.322 4.474 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.603 4.867 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.029 2.455 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.934 2.848 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.634 1.217 -4.802 1.00 0.00 H new ATOM 1295 N GLU A 81 6.014 2.563 -8.019 1.00 0.00 N ATOM 1296 CA GLU A 81 7.143 3.095 -8.800 1.00 0.00 C ATOM 1297 C GLU A 81 6.789 3.229 -10.291 1.00 0.00 C ATOM 1298 O GLU A 81 7.189 4.205 -10.951 1.00 0.00 O ATOM 1299 CB GLU A 81 8.377 2.182 -8.650 1.00 0.00 C ATOM 1300 CG GLU A 81 8.919 2.076 -7.212 1.00 0.00 C ATOM 1301 CD GLU A 81 10.235 1.288 -7.136 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.201 0.045 -7.000 1.00 0.00 O ATOM 1303 OE2 GLU A 81 11.313 1.907 -7.255 1.00 0.00 O ATOM 0 H GLU A 81 6.207 1.662 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 81 7.368 4.087 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.120 1.183 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.170 2.555 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.075 3.078 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.173 1.593 -6.581 1.00 0.00 H new ATOM 1310 N GLN A 82 6.044 2.239 -10.814 1.00 0.00 N ATOM 1311 CA GLN A 82 5.674 2.212 -12.239 1.00 0.00 C ATOM 1312 C GLN A 82 4.543 3.208 -12.525 1.00 0.00 C ATOM 1313 O GLN A 82 4.612 3.928 -13.511 1.00 0.00 O ATOM 1314 CB GLN A 82 5.255 0.808 -12.730 1.00 0.00 C ATOM 1315 CG GLN A 82 5.011 0.761 -14.267 1.00 0.00 C ATOM 1316 CD GLN A 82 4.352 -0.511 -14.777 1.00 0.00 C ATOM 1317 OE1 GLN A 82 4.528 -1.591 -14.213 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.601 -0.385 -15.868 1.00 0.00 N ATOM 0 H GLN A 82 5.688 1.451 -10.273 1.00 0.00 H new ATOM 0 HA GLN A 82 6.571 2.497 -12.788 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.030 0.088 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.346 0.502 -12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.389 1.611 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.967 0.885 -14.775 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.483 0.530 -16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.144 -1.203 -16.270 1.00 0.00 H new ATOM 1327 N LEU A 83 3.527 3.242 -11.644 1.00 0.00 N ATOM 1328 CA LEU A 83 2.360 4.152 -11.758 1.00 0.00 C ATOM 1329 C LEU A 83 2.806 5.611 -11.732 1.00 0.00 C ATOM 1330 O LEU A 83 2.244 6.453 -12.445 1.00 0.00 O ATOM 1331 CB LEU A 83 1.358 3.882 -10.607 1.00 0.00 C ATOM 1332 CG LEU A 83 0.551 2.552 -10.722 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.242 2.256 -9.438 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.366 2.571 -11.967 1.00 0.00 C ATOM 0 H LEU A 83 3.487 2.636 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 83 1.868 3.960 -12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.906 3.874 -9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.653 4.712 -10.559 1.00 0.00 H new ATOM 0 HG LEU A 83 1.266 1.739 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.791 1.322 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.446 2.168 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.944 3.068 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.919 1.633 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.068 3.401 -11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.241 2.692 -12.864 1.00 0.00 H new ATOM 1346 N LYS A 84 3.823 5.876 -10.896 1.00 0.00 N ATOM 1347 CA LYS A 84 4.514 7.166 -10.814 1.00 0.00 C ATOM 1348 C LYS A 84 5.038 7.578 -12.197 1.00 0.00 C ATOM 1349 O LYS A 84 4.787 8.692 -12.657 1.00 0.00 O ATOM 1350 CB LYS A 84 5.689 7.044 -9.810 1.00 0.00 C ATOM 1351 CG LYS A 84 6.562 8.311 -9.636 1.00 0.00 C ATOM 1352 CD LYS A 84 7.742 8.096 -8.657 1.00 0.00 C ATOM 1353 CE LYS A 84 8.635 6.897 -9.045 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.816 6.783 -8.171 1.00 0.00 N ATOM 0 H LYS A 84 4.193 5.182 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 84 3.818 7.932 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.283 6.769 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.332 6.224 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.952 8.614 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.939 9.129 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.350 9.000 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.350 7.940 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.052 5.978 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.959 7.006 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.388 5.966 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.387 7.650 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.508 6.653 -7.186 1.00 0.00 H new ATOM 1368 N ALA A 85 5.728 6.631 -12.855 1.00 0.00 N ATOM 1369 CA ALA A 85 6.350 6.847 -14.170 1.00 0.00 C ATOM 1370 C ALA A 85 5.284 7.042 -15.269 1.00 0.00 C ATOM 1371 O ALA A 85 5.332 8.033 -15.987 1.00 0.00 O ATOM 1372 CB ALA A 85 7.294 5.674 -14.503 1.00 0.00 C ATOM 0 H ALA A 85 5.870 5.690 -12.487 1.00 0.00 H new ATOM 0 HA ALA A 85 6.938 7.764 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.751 5.841 -15.478 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.073 5.607 -13.744 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.726 4.744 -14.523 1.00 0.00 H new ATOM 1378 N GLU A 86 4.298 6.121 -15.330 1.00 0.00 N ATOM 1379 CA GLU A 86 3.250 6.082 -16.382 1.00 0.00 C ATOM 1380 C GLU A 86 2.450 7.403 -16.447 1.00 0.00 C ATOM 1381 O GLU A 86 2.223 7.949 -17.533 1.00 0.00 O ATOM 1382 CB GLU A 86 2.269 4.903 -16.127 1.00 0.00 C ATOM 1383 CG GLU A 86 2.892 3.492 -16.219 1.00 0.00 C ATOM 1384 CD GLU A 86 1.866 2.373 -15.985 1.00 0.00 C ATOM 1385 OE1 GLU A 86 1.516 2.103 -14.814 1.00 0.00 O ATOM 1386 OE2 GLU A 86 1.407 1.752 -16.969 1.00 0.00 O ATOM 0 H GLU A 86 4.203 5.373 -14.643 1.00 0.00 H new ATOM 0 HA GLU A 86 3.759 5.941 -17.336 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.831 5.025 -15.136 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.453 4.969 -16.847 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.346 3.363 -17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.693 3.404 -15.484 1.00 0.00 H new ATOM 1393 N SER A 87 2.037 7.900 -15.265 1.00 0.00 N ATOM 1394 CA SER A 87 1.265 9.150 -15.148 1.00 0.00 C ATOM 1395 C SER A 87 2.167 10.385 -15.369 1.00 0.00 C ATOM 1396 O SER A 87 1.700 11.409 -15.880 1.00 0.00 O ATOM 1397 CB SER A 87 0.554 9.204 -13.778 1.00 0.00 C ATOM 1398 OG SER A 87 1.479 9.146 -12.708 1.00 0.00 O ATOM 0 H SER A 87 2.228 7.449 -14.370 1.00 0.00 H new ATOM 0 HA SER A 87 0.505 9.166 -15.929 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.029 10.122 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.148 8.374 -13.699 1.00 0.00 H new ATOM 0 HG SER A 87 1.773 8.220 -12.579 1.00 0.00 H new ATOM 1404 N ALA A 88 3.465 10.269 -15.008 1.00 0.00 N ATOM 1405 CA ALA A 88 4.465 11.340 -15.224 1.00 0.00 C ATOM 1406 C ALA A 88 4.877 11.433 -16.711 1.00 0.00 C ATOM 1407 O ALA A 88 5.402 12.459 -17.147 1.00 0.00 O ATOM 1408 CB ALA A 88 5.703 11.120 -14.330 1.00 0.00 C ATOM 0 H ALA A 88 3.847 9.436 -14.561 1.00 0.00 H new ATOM 0 HA ALA A 88 4.002 12.287 -14.946 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.425 11.918 -14.505 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.401 11.127 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.159 10.160 -14.570 1.00 0.00 H new ATOM 1414 N LEU A 89 4.657 10.350 -17.481 1.00 0.00 N ATOM 1415 CA LEU A 89 4.870 10.342 -18.941 1.00 0.00 C ATOM 1416 C LEU A 89 3.675 11.006 -19.664 1.00 0.00 C ATOM 1417 O LEU A 89 3.825 11.493 -20.785 1.00 0.00 O ATOM 1418 CB LEU A 89 5.090 8.884 -19.447 1.00 0.00 C ATOM 1419 CG LEU A 89 6.387 8.174 -18.926 1.00 0.00 C ATOM 1420 CD1 LEU A 89 6.467 6.705 -19.391 1.00 0.00 C ATOM 1421 CD2 LEU A 89 7.668 8.959 -19.311 1.00 0.00 C ATOM 0 H LEU A 89 4.328 9.459 -17.110 1.00 0.00 H new ATOM 0 HA LEU A 89 5.766 10.920 -19.169 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.228 8.284 -19.157 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.117 8.897 -20.537 1.00 0.00 H new ATOM 0 HG LEU A 89 6.325 8.165 -17.838 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.381 6.251 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.604 6.157 -19.014 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.473 6.668 -20.480 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.544 8.434 -18.931 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.734 9.038 -20.396 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.627 9.958 -18.876 1.00 0.00 H new ATOM 1433 N GLU A 90 2.499 11.028 -19.007 1.00 0.00 N ATOM 1434 CA GLU A 90 1.271 11.646 -19.545 1.00 0.00 C ATOM 1435 C GLU A 90 1.175 13.111 -19.053 1.00 0.00 C ATOM 1436 CB GLU A 90 0.039 10.796 -19.118 1.00 0.00 C ATOM 1437 CG GLU A 90 0.046 9.354 -19.671 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.148 8.492 -19.227 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.240 9.034 -18.953 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.007 7.254 -19.179 1.00 0.00 O ATOM 0 H GLU A 90 2.373 10.615 -18.083 1.00 0.00 H new ATOM 0 HA GLU A 90 1.296 11.667 -20.635 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.002 10.756 -18.029 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.869 11.298 -19.453 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.061 9.397 -20.760 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.968 8.863 -19.358 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.175 -1.186 -4.059 1.00 24.30 P HETATM 1449 O25 PNS A 101 -15.484 -1.009 -3.389 1.00 42.13 O HETATM 1450 O26 PNS A 101 -13.723 -0.054 -4.908 1.00 70.22 O HETATM 1451 O27 PNS A 101 -14.159 -2.540 -4.895 1.00 72.12 O HETATM 1452 C28 PNS A 101 -13.044 -2.901 -5.706 1.00 55.20 C HETATM 1453 C29 PNS A 101 -13.192 -4.367 -6.131 1.00 3.52 C HETATM 1454 C30 PNS A 101 -14.505 -4.560 -6.888 1.00 1.33 C HETATM 1455 C31 PNS A 101 -13.193 -5.221 -4.865 1.00 2.34 C HETATM 1456 C32 PNS A 101 -12.012 -4.724 -7.038 1.00 71.24 C HETATM 1457 O33 PNS A 101 -10.761 -4.559 -6.339 1.00 32.25 O HETATM 1458 C34 PNS A 101 -12.051 -6.180 -7.554 1.00 0.10 C HETATM 1459 O35 PNS A 101 -12.432 -6.460 -8.691 1.00 52.15 O HETATM 1460 N36 PNS A 101 -11.624 -7.072 -6.671 1.00 53.21 N HETATM 1461 C37 PNS A 101 -11.502 -8.520 -6.858 1.00 50.33 C HETATM 1462 C38 PNS A 101 -10.256 -8.833 -7.703 1.00 70.31 C HETATM 1463 C39 PNS A 101 -8.915 -8.254 -7.161 1.00 50.20 C HETATM 1464 O40 PNS A 101 -7.843 -8.684 -7.598 1.00 11.11 O HETATM 1465 N41 PNS A 101 -8.986 -7.296 -6.192 1.00 74.23 N HETATM 1466 C42 PNS A 101 -7.867 -6.599 -5.564 1.00 73.31 C HETATM 1467 C43 PNS A 101 -7.998 -6.548 -4.043 1.00 34.40 C HETATM 1468 S44 PNS A 101 -9.529 -5.699 -3.588 1.00 32.22 S HETATM 0 H432 PNS A 101 -7.997 -7.559 -3.635 1.00 34.40 H new HETATM 0 H431 PNS A 101 -7.142 -6.029 -3.612 1.00 34.40 H new HETATM 0 H422 PNS A 101 -7.808 -5.584 -5.956 1.00 73.31 H new HETATM 0 H421 PNS A 101 -6.935 -7.098 -5.830 1.00 73.31 H new HETATM 0 H382 PNS A 101 -10.416 -8.450 -8.711 1.00 70.31 H new HETATM 0 H381 PNS A 101 -10.157 -9.915 -7.786 1.00 70.31 H new HETATM 0 H372 PNS A 101 -12.393 -8.909 -7.350 1.00 50.33 H new HETATM 0 H371 PNS A 101 -11.430 -9.016 -5.890 1.00 50.33 H new HETATM 0 H313 PNS A 101 -13.297 -6.272 -5.135 1.00 2.34 H new HETATM 0 H312 PNS A 101 -14.027 -4.926 -4.228 1.00 2.34 H new HETATM 0 H311 PNS A 101 -12.256 -5.076 -4.327 1.00 2.34 H new HETATM 0 H303 PNS A 101 -14.603 -5.604 -7.187 1.00 1.33 H new HETATM 0 H302 PNS A 101 -14.510 -3.927 -7.775 1.00 1.33 H new HETATM 0 H301 PNS A 101 -15.340 -4.287 -6.243 1.00 1.33 H new HETATM 0 H282 PNS A 101 -12.115 -2.761 -5.153 1.00 55.20 H new HETATM 0 H281 PNS A 101 -12.993 -2.257 -6.584 1.00 55.20 H new HETATM 0 H44 PNS A 101 -10.075 -5.189 -4.652 1.00 32.22 H new HETATM 0 H41 PNS A 101 -9.920 -7.039 -5.872 1.00 74.23 H new HETATM 0 H36 PNS A 101 -11.349 -6.709 -5.758 1.00 53.21 H new HETATM 0 H33 PNS A 101 -10.020 -4.794 -6.935 1.00 32.25 H new HETATM 0 H32 PNS A 101 -12.093 -4.045 -7.887 1.00 71.24 H new