USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 Set 1.1: A 24 THR OG1 : rot 130:sc= 1.22 USER MOD Set 1.2: A 33 THR OG1 : rot 91:sc= 1.22 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 155:sc= -0.149 (180deg=-0.92) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -48:sc= 0.236 USER MOD Single : A 39 GLN : amide:sc= -1.01 K(o=-1,f=-7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 46 GLN :FLIP amide:sc= 1.09 F(o=-1.4,f=1.1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0492 K(o=-0.049,f=-6.8!) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.915) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0809 F(o=-1.9,f=-0.081) USER MOD Single : A 69 THR OG1 : rot -104:sc= -1.61! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0.934 (180deg=0.44) USER MOD Single : A 79 CYS SG : rot 45:sc= -0.136 USER MOD Single : A 84 ASN : amide:sc= 0.191 K(o=0.19,f=-10!) USER MOD Single : A 86 SER OG : rot 92:sc= 1.3 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -13.444 1.570 -9.876 1.00 0.00 N ATOM 2 CA MET A 18 -14.377 0.640 -9.200 1.00 0.00 C ATOM 3 C MET A 18 -14.173 0.700 -7.689 1.00 0.00 C ATOM 4 O MET A 18 -14.730 -0.104 -6.946 1.00 0.00 O ATOM 5 CB MET A 18 -14.148 -0.788 -9.712 1.00 0.00 C ATOM 6 CG MET A 18 -15.247 -1.767 -9.330 1.00 0.00 C ATOM 7 SD MET A 18 -16.841 -1.330 -10.049 1.00 0.00 S ATOM 8 CE MET A 18 -17.879 -2.629 -9.383 1.00 0.00 C ATOM 0 HA MET A 18 -15.402 0.936 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 18 -14.059 -0.763 -10.798 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.198 -1.154 -9.323 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.967 -2.768 -9.657 1.00 0.00 H new ATOM 0 HG3 MET A 18 -15.339 -1.800 -8.244 1.00 0.00 H new ATOM 0 HE1 MET A 18 -18.901 -2.496 -9.738 1.00 0.00 H new ATOM 0 HE2 MET A 18 -17.504 -3.599 -9.711 1.00 0.00 H new ATOM 0 HE3 MET A 18 -17.865 -2.584 -8.294 1.00 0.00 H new ATOM 18 N ALA A 19 -13.389 1.687 -7.254 1.00 0.00 N ATOM 19 CA ALA A 19 -13.038 1.841 -5.843 1.00 0.00 C ATOM 20 C ALA A 19 -12.364 0.591 -5.282 1.00 0.00 C ATOM 21 O ALA A 19 -13.022 -0.292 -4.732 1.00 0.00 O ATOM 22 CB ALA A 19 -14.260 2.215 -5.013 1.00 0.00 C ATOM 0 H ALA A 19 -12.983 2.396 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.317 2.656 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.971 2.323 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.671 3.157 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.013 1.432 -5.102 1.00 0.00 H new ATOM 28 N LEU A 20 -11.045 0.529 -5.434 1.00 0.00 N ATOM 29 CA LEU A 20 -10.283 -0.600 -4.907 1.00 0.00 C ATOM 30 C LEU A 20 -10.371 -0.628 -3.387 1.00 0.00 C ATOM 31 O LEU A 20 -10.581 0.410 -2.751 1.00 0.00 O ATOM 32 CB LEU A 20 -8.813 -0.508 -5.350 1.00 0.00 C ATOM 33 CG LEU A 20 -8.444 -1.308 -6.604 1.00 0.00 C ATOM 34 CD1 LEU A 20 -8.770 -2.783 -6.414 1.00 0.00 C ATOM 35 CD2 LEU A 20 -9.152 -0.756 -7.830 1.00 0.00 C ATOM 0 H LEU A 20 -10.486 1.237 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.709 -1.522 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.571 0.540 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.183 -0.847 -4.527 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.370 -1.211 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.501 -3.334 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.206 -3.174 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.837 -2.898 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.873 -1.342 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.231 -0.813 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.861 0.284 -7.981 1.00 0.00 H new ATOM 47 N LYS A 21 -10.250 -1.810 -2.800 1.00 0.00 N ATOM 48 CA LYS A 21 -10.276 -1.897 -1.355 1.00 0.00 C ATOM 49 C LYS A 21 -8.995 -2.514 -0.822 1.00 0.00 C ATOM 50 O LYS A 21 -8.693 -3.674 -1.089 1.00 0.00 O ATOM 51 CB LYS A 21 -11.469 -2.720 -0.890 1.00 0.00 C ATOM 52 CG LYS A 21 -12.777 -2.308 -1.532 1.00 0.00 C ATOM 53 CD LYS A 21 -13.956 -2.896 -0.790 1.00 0.00 C ATOM 54 CE LYS A 21 -14.152 -2.213 0.553 1.00 0.00 C ATOM 55 NZ LYS A 21 -14.190 -0.730 0.418 1.00 0.00 N ATOM 0 H LYS A 21 -10.136 -2.698 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.365 -0.883 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.282 -3.771 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.561 -2.631 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.855 -1.221 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.796 -2.638 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.859 -2.788 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.799 -3.964 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.080 -2.561 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.343 -2.496 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.724 -0.323 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.220 -0.356 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.653 -0.475 -0.478 1.00 0.00 H new ATOM 69 N CYS A 22 -8.250 -1.740 -0.062 1.00 0.00 N ATOM 70 CA CYS A 22 -7.039 -2.240 0.558 1.00 0.00 C ATOM 71 C CYS A 22 -6.902 -1.702 1.974 1.00 0.00 C ATOM 72 O CYS A 22 -7.666 -0.826 2.389 1.00 0.00 O ATOM 73 CB CYS A 22 -5.815 -1.888 -0.290 1.00 0.00 C ATOM 74 SG CYS A 22 -5.598 -2.971 -1.743 1.00 0.00 S ATOM 0 H CYS A 22 -8.460 -0.763 0.142 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.103 -3.326 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.901 -0.855 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.923 -1.947 0.333 1.00 0.00 H new ATOM 79 N PHE A 23 -5.946 -2.245 2.715 1.00 0.00 N ATOM 80 CA PHE A 23 -5.770 -1.858 4.106 1.00 0.00 C ATOM 81 C PHE A 23 -5.082 -0.506 4.208 1.00 0.00 C ATOM 82 O PHE A 23 -4.078 -0.259 3.543 1.00 0.00 O ATOM 83 CB PHE A 23 -4.948 -2.908 4.857 1.00 0.00 C ATOM 84 CG PHE A 23 -5.580 -4.270 4.895 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.494 -4.596 5.885 1.00 0.00 C ATOM 86 CD2 PHE A 23 -5.257 -5.227 3.946 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.073 -5.849 5.927 1.00 0.00 C ATOM 88 CE2 PHE A 23 -5.834 -6.481 3.981 1.00 0.00 C ATOM 89 CZ PHE A 23 -6.743 -6.794 4.974 1.00 0.00 C ATOM 0 H PHE A 23 -5.287 -2.948 2.380 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.759 -1.786 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.966 -2.988 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.787 -2.565 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.756 -3.862 6.632 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.545 -4.989 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.783 -6.090 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.575 -7.216 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.194 -7.775 5.005 1.00 0.00 H new ATOM 99 N THR A 24 -5.639 0.360 5.029 1.00 0.00 N ATOM 100 CA THR A 24 -5.038 1.649 5.302 1.00 0.00 C ATOM 101 C THR A 24 -4.974 1.856 6.816 1.00 0.00 C ATOM 102 O THR A 24 -5.712 1.210 7.562 1.00 0.00 O ATOM 103 CB THR A 24 -5.846 2.786 4.631 1.00 0.00 C ATOM 104 OG1 THR A 24 -6.030 2.493 3.239 1.00 0.00 O ATOM 105 CG2 THR A 24 -5.138 4.128 4.762 1.00 0.00 C ATOM 0 H THR A 24 -6.515 0.192 5.523 1.00 0.00 H new ATOM 0 HA THR A 24 -4.030 1.672 4.888 1.00 0.00 H new ATOM 0 HB THR A 24 -6.809 2.851 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.977 2.590 3.007 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.734 4.903 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.012 4.371 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.160 4.072 4.283 1.00 0.00 H new ATOM 113 N ARG A 25 -4.091 2.731 7.275 1.00 0.00 N ATOM 114 CA ARG A 25 -3.957 2.967 8.703 1.00 0.00 C ATOM 115 C ARG A 25 -5.017 3.942 9.195 1.00 0.00 C ATOM 116 O ARG A 25 -4.980 5.130 8.879 1.00 0.00 O ATOM 117 CB ARG A 25 -2.562 3.511 9.025 1.00 0.00 C ATOM 118 CG ARG A 25 -1.481 2.445 9.077 1.00 0.00 C ATOM 119 CD ARG A 25 -1.581 1.616 10.349 1.00 0.00 C ATOM 120 NE ARG A 25 -1.393 2.437 11.549 1.00 0.00 N ATOM 121 CZ ARG A 25 -1.292 1.948 12.788 1.00 0.00 C ATOM 122 NH1 ARG A 25 -1.350 0.642 13.005 1.00 0.00 N ATOM 123 NH2 ARG A 25 -1.136 2.767 13.818 1.00 0.00 N ATOM 0 H ARG A 25 -3.465 3.282 6.688 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.097 2.015 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.290 4.253 8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.597 4.026 9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.568 1.793 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.500 2.917 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.555 1.129 10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.831 0.826 10.328 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.336 3.448 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.473 -0.000 12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.272 0.279 13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.093 3.775 13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.059 2.390 14.763 1.00 0.00 H new ATOM 137 N ASN A 26 -5.956 3.426 9.969 1.00 0.00 N ATOM 138 CA ASN A 26 -6.987 4.248 10.582 1.00 0.00 C ATOM 139 C ASN A 26 -6.851 4.168 12.094 1.00 0.00 C ATOM 140 O ASN A 26 -7.204 3.162 12.712 1.00 0.00 O ATOM 141 CB ASN A 26 -8.380 3.793 10.132 1.00 0.00 C ATOM 142 CG ASN A 26 -9.501 4.546 10.823 1.00 0.00 C ATOM 143 OD1 ASN A 26 -9.890 5.632 10.399 1.00 0.00 O ATOM 144 ND2 ASN A 26 -10.043 3.961 11.880 1.00 0.00 N ATOM 0 H ASN A 26 -6.026 2.433 10.190 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.862 5.284 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -8.470 3.928 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.490 2.727 10.330 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.813 4.412 12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.691 3.059 12.200 1.00 0.00 H new ATOM 151 N GLY A 27 -6.309 5.223 12.684 1.00 0.00 N ATOM 152 CA GLY A 27 -5.962 5.162 14.087 1.00 0.00 C ATOM 153 C GLY A 27 -4.786 4.233 14.303 1.00 0.00 C ATOM 154 O GLY A 27 -3.644 4.593 14.013 1.00 0.00 O ATOM 0 H GLY A 27 -6.105 6.110 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.716 6.160 14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.818 4.814 14.665 1.00 0.00 H new ATOM 158 N ASP A 28 -5.067 3.030 14.781 1.00 0.00 N ATOM 159 CA ASP A 28 -4.039 2.002 14.883 1.00 0.00 C ATOM 160 C ASP A 28 -4.532 0.713 14.235 1.00 0.00 C ATOM 161 O ASP A 28 -3.796 -0.264 14.101 1.00 0.00 O ATOM 162 CB ASP A 28 -3.645 1.753 16.343 1.00 0.00 C ATOM 163 CG ASP A 28 -2.420 0.863 16.458 1.00 0.00 C ATOM 164 OD1 ASP A 28 -1.348 1.256 15.937 1.00 0.00 O ATOM 165 OD2 ASP A 28 -2.524 -0.221 17.063 1.00 0.00 O ATOM 0 H ASP A 28 -5.991 2.742 15.103 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.151 2.350 14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.448 2.707 16.833 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.480 1.291 16.870 1.00 0.00 H new ATOM 170 N ASP A 29 -5.780 0.736 13.796 1.00 0.00 N ATOM 171 CA ASP A 29 -6.362 -0.439 13.168 1.00 0.00 C ATOM 172 C ASP A 29 -6.018 -0.473 11.686 1.00 0.00 C ATOM 173 O ASP A 29 -5.762 0.571 11.072 1.00 0.00 O ATOM 174 CB ASP A 29 -7.885 -0.445 13.357 1.00 0.00 C ATOM 175 CG ASP A 29 -8.575 -1.483 12.492 1.00 0.00 C ATOM 176 OD1 ASP A 29 -8.278 -2.684 12.660 1.00 0.00 O ATOM 177 OD2 ASP A 29 -9.399 -1.094 11.636 1.00 0.00 O ATOM 0 H ASP A 29 -6.402 1.542 13.861 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.946 -1.327 13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.117 -0.638 14.404 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.281 0.542 13.119 1.00 0.00 H new ATOM 182 N ARG A 30 -5.979 -1.669 11.118 1.00 0.00 N ATOM 183 CA ARG A 30 -5.803 -1.764 9.684 1.00 0.00 C ATOM 184 C ARG A 30 -7.170 -1.910 9.049 1.00 0.00 C ATOM 185 O ARG A 30 -7.816 -2.950 9.163 1.00 0.00 O ATOM 186 CB ARG A 30 -4.919 -2.956 9.324 1.00 0.00 C ATOM 187 CG ARG A 30 -3.565 -2.929 10.007 1.00 0.00 C ATOM 188 CD ARG A 30 -2.792 -4.212 9.746 1.00 0.00 C ATOM 189 NE ARG A 30 -1.540 -4.284 10.504 1.00 0.00 N ATOM 190 CZ ARG A 30 -0.369 -4.649 9.973 1.00 0.00 C ATOM 191 NH1 ARG A 30 -0.249 -4.818 8.665 1.00 0.00 N ATOM 192 NH2 ARG A 30 0.701 -4.809 10.739 1.00 0.00 N ATOM 0 H ARG A 30 -6.064 -2.558 11.611 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.310 -0.866 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.436 -3.877 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.773 -2.978 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.990 -2.075 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.699 -2.794 11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.417 -5.067 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.572 -4.288 8.681 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.564 -4.041 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.053 -4.670 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.648 -5.097 8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.636 -4.653 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.589 -5.088 10.322 1.00 0.00 H new ATOM 206 N THR A 31 -7.584 -0.879 8.354 1.00 0.00 N ATOM 207 CA THR A 31 -8.950 -0.813 7.883 1.00 0.00 C ATOM 208 C THR A 31 -9.010 -0.888 6.364 1.00 0.00 C ATOM 209 O THR A 31 -8.271 -0.188 5.671 1.00 0.00 O ATOM 210 CB THR A 31 -9.618 0.493 8.356 1.00 0.00 C ATOM 211 OG1 THR A 31 -9.294 0.743 9.733 1.00 0.00 O ATOM 212 CG2 THR A 31 -11.130 0.424 8.195 1.00 0.00 C ATOM 0 H THR A 31 -7.003 -0.080 8.102 1.00 0.00 H new ATOM 0 HA THR A 31 -9.485 -1.667 8.298 1.00 0.00 H new ATOM 0 HB THR A 31 -9.239 1.307 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.437 -0.073 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.575 1.359 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.377 0.266 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.522 -0.402 8.788 1.00 0.00 H new ATOM 220 N VAL A 32 -9.877 -1.752 5.850 1.00 0.00 N ATOM 221 CA VAL A 32 -10.096 -1.828 4.416 1.00 0.00 C ATOM 222 C VAL A 32 -10.887 -0.615 3.950 1.00 0.00 C ATOM 223 O VAL A 32 -12.097 -0.523 4.181 1.00 0.00 O ATOM 224 CB VAL A 32 -10.865 -3.105 4.015 1.00 0.00 C ATOM 225 CG1 VAL A 32 -11.109 -3.137 2.516 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.120 -4.351 4.453 1.00 0.00 C ATOM 0 H VAL A 32 -10.435 -2.404 6.402 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.116 -1.853 3.940 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.828 -3.087 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.652 -4.045 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.696 -2.266 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.154 -3.122 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.685 -5.235 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.138 -4.373 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.001 -4.342 5.536 1.00 0.00 H new ATOM 236 N THR A 33 -10.215 0.312 3.298 1.00 0.00 N ATOM 237 CA THR A 33 -10.878 1.496 2.802 1.00 0.00 C ATOM 238 C THR A 33 -11.295 1.333 1.366 1.00 0.00 C ATOM 239 O THR A 33 -10.697 0.577 0.603 1.00 0.00 O ATOM 240 CB THR A 33 -10.002 2.756 2.888 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.669 2.460 2.441 1.00 0.00 O ATOM 242 CG2 THR A 33 -9.964 3.302 4.307 1.00 0.00 C ATOM 0 H THR A 33 -9.215 0.267 3.101 1.00 0.00 H new ATOM 0 HA THR A 33 -11.749 1.621 3.446 1.00 0.00 H new ATOM 0 HB THR A 33 -10.439 3.517 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.601 2.631 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.337 4.193 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.974 3.558 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.553 2.546 4.977 1.00 0.00 H new ATOM 250 N THR A 34 -12.367 2.002 1.024 1.00 0.00 N ATOM 251 CA THR A 34 -12.639 2.254 -0.359 1.00 0.00 C ATOM 252 C THR A 34 -11.643 3.312 -0.841 1.00 0.00 C ATOM 253 O THR A 34 -11.479 4.351 -0.197 1.00 0.00 O ATOM 254 CB THR A 34 -14.095 2.730 -0.530 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.882 1.698 -1.143 1.00 0.00 O ATOM 256 CG2 THR A 34 -14.165 4.013 -1.336 1.00 0.00 C ATOM 0 H THR A 34 -13.055 2.376 1.678 1.00 0.00 H new ATOM 0 HA THR A 34 -12.524 1.347 -0.953 1.00 0.00 H new ATOM 0 HB THR A 34 -14.503 2.942 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.806 2.009 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.205 4.322 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 34 -13.603 4.795 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.737 3.846 -2.324 1.00 0.00 H new ATOM 264 N CYS A 35 -10.938 3.029 -1.919 1.00 0.00 N ATOM 265 CA CYS A 35 -9.966 3.984 -2.416 1.00 0.00 C ATOM 266 C CYS A 35 -10.460 4.581 -3.730 1.00 0.00 C ATOM 267 O CYS A 35 -11.241 3.952 -4.444 1.00 0.00 O ATOM 268 CB CYS A 35 -8.600 3.309 -2.580 1.00 0.00 C ATOM 269 SG CYS A 35 -8.340 1.892 -1.456 1.00 0.00 S ATOM 0 H CYS A 35 -11.016 2.166 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.848 4.796 -1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.495 2.968 -3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.817 4.047 -2.407 1.00 0.00 H new ATOM 274 N ALA A 36 -10.021 5.798 -4.032 1.00 0.00 N ATOM 275 CA ALA A 36 -10.543 6.529 -5.183 1.00 0.00 C ATOM 276 C ALA A 36 -10.199 5.840 -6.504 1.00 0.00 C ATOM 277 O ALA A 36 -9.329 4.973 -6.553 1.00 0.00 O ATOM 278 CB ALA A 36 -10.017 7.955 -5.177 1.00 0.00 C ATOM 0 H ALA A 36 -9.309 6.298 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.630 6.544 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.412 8.492 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.333 8.456 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.928 7.941 -5.226 1.00 0.00 H new ATOM 284 N GLU A 37 -10.884 6.251 -7.572 1.00 0.00 N ATOM 285 CA GLU A 37 -10.681 5.668 -8.894 1.00 0.00 C ATOM 286 C GLU A 37 -9.233 5.807 -9.348 1.00 0.00 C ATOM 287 O GLU A 37 -8.700 4.935 -10.034 1.00 0.00 O ATOM 288 CB GLU A 37 -11.611 6.340 -9.902 1.00 0.00 C ATOM 289 CG GLU A 37 -13.083 6.062 -9.646 1.00 0.00 C ATOM 290 CD GLU A 37 -13.397 4.582 -9.691 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.685 4.058 -10.782 1.00 0.00 O ATOM 292 OE2 GLU A 37 -13.339 3.923 -8.634 1.00 0.00 O ATOM 0 H GLU A 37 -11.587 6.989 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.912 4.604 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.443 7.417 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.354 6.000 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.363 6.463 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.685 6.583 -10.390 1.00 0.00 H new ATOM 299 N GLU A 38 -8.607 6.908 -8.960 1.00 0.00 N ATOM 300 CA GLU A 38 -7.195 7.123 -9.235 1.00 0.00 C ATOM 301 C GLU A 38 -6.352 6.039 -8.575 1.00 0.00 C ATOM 302 O GLU A 38 -5.383 5.538 -9.151 1.00 0.00 O ATOM 303 CB GLU A 38 -6.766 8.492 -8.725 1.00 0.00 C ATOM 304 CG GLU A 38 -7.229 8.734 -7.313 1.00 0.00 C ATOM 305 CD GLU A 38 -6.496 9.862 -6.622 1.00 0.00 C ATOM 306 OE1 GLU A 38 -6.883 11.029 -6.824 1.00 0.00 O ATOM 307 OE2 GLU A 38 -5.538 9.572 -5.872 1.00 0.00 O ATOM 0 H GLU A 38 -9.057 7.669 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.042 7.078 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.680 8.572 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.170 9.266 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.296 8.957 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.099 7.819 -6.735 1.00 0.00 H new ATOM 314 N GLN A 39 -6.758 5.656 -7.372 1.00 0.00 N ATOM 315 CA GLN A 39 -5.989 4.716 -6.583 1.00 0.00 C ATOM 316 C GLN A 39 -6.393 3.288 -6.912 1.00 0.00 C ATOM 317 O GLN A 39 -7.108 2.637 -6.151 1.00 0.00 O ATOM 318 CB GLN A 39 -6.205 4.978 -5.093 1.00 0.00 C ATOM 319 CG GLN A 39 -5.927 6.411 -4.676 1.00 0.00 C ATOM 320 CD GLN A 39 -6.415 6.711 -3.274 1.00 0.00 C ATOM 321 OE1 GLN A 39 -7.397 6.137 -2.807 1.00 0.00 O ATOM 322 NE2 GLN A 39 -5.729 7.605 -2.591 1.00 0.00 N ATOM 0 H GLN A 39 -7.615 5.984 -6.926 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.934 4.850 -6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.234 4.728 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.561 4.311 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.855 6.601 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.409 7.091 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.920 8.059 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.007 7.843 -1.639 1.00 0.00 H new ATOM 331 N THR A 40 -5.954 2.819 -8.061 1.00 0.00 N ATOM 332 CA THR A 40 -6.230 1.455 -8.467 1.00 0.00 C ATOM 333 C THR A 40 -5.062 0.546 -8.099 1.00 0.00 C ATOM 334 O THR A 40 -4.930 -0.571 -8.603 1.00 0.00 O ATOM 335 CB THR A 40 -6.516 1.392 -9.978 1.00 0.00 C ATOM 336 OG1 THR A 40 -5.756 2.402 -10.657 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.997 1.595 -10.261 1.00 0.00 C ATOM 0 H THR A 40 -5.406 3.360 -8.730 1.00 0.00 H new ATOM 0 HA THR A 40 -7.116 1.105 -7.937 1.00 0.00 H new ATOM 0 HB THR A 40 -6.226 0.406 -10.340 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.939 2.358 -11.619 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.172 1.546 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.573 0.815 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.309 2.570 -9.887 1.00 0.00 H new ATOM 345 N ARG A 41 -4.212 1.049 -7.212 1.00 0.00 N ATOM 346 CA ARG A 41 -3.135 0.253 -6.662 1.00 0.00 C ATOM 347 C ARG A 41 -3.169 0.334 -5.144 1.00 0.00 C ATOM 348 O ARG A 41 -3.970 1.069 -4.565 1.00 0.00 O ATOM 349 CB ARG A 41 -1.771 0.737 -7.156 1.00 0.00 C ATOM 350 CG ARG A 41 -0.881 -0.369 -7.680 1.00 0.00 C ATOM 351 CD ARG A 41 -1.478 -1.071 -8.885 1.00 0.00 C ATOM 352 NE ARG A 41 -0.530 -2.015 -9.477 1.00 0.00 N ATOM 353 CZ ARG A 41 -0.700 -2.602 -10.660 1.00 0.00 C ATOM 354 NH1 ARG A 41 -1.785 -2.345 -11.383 1.00 0.00 N ATOM 355 NH2 ARG A 41 0.221 -3.440 -11.124 1.00 0.00 N ATOM 0 H ARG A 41 -4.252 2.006 -6.861 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.276 -0.776 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.922 1.473 -7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.259 1.246 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.090 0.047 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.707 -1.097 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.383 -1.600 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.771 -0.332 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 41 0.315 -2.238 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.490 -1.697 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.913 -2.796 -12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.058 -3.633 -10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.091 -3.890 -12.030 1.00 0.00 H new ATOM 369 N CYS A 42 -2.268 -0.388 -4.512 1.00 0.00 N ATOM 370 CA CYS A 42 -2.235 -0.415 -3.054 1.00 0.00 C ATOM 371 C CYS A 42 -0.800 -0.449 -2.566 1.00 0.00 C ATOM 372 O CYS A 42 -0.007 -1.258 -3.030 1.00 0.00 O ATOM 373 CB CYS A 42 -2.990 -1.633 -2.514 1.00 0.00 C ATOM 374 SG CYS A 42 -4.701 -1.785 -3.121 1.00 0.00 S ATOM 0 H CYS A 42 -1.557 -0.958 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.722 0.488 -2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.440 -2.535 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.006 -1.582 -1.425 1.00 0.00 H new ATOM 379 N LEU A 43 -0.475 0.419 -1.626 1.00 0.00 N ATOM 380 CA LEU A 43 0.886 0.510 -1.132 1.00 0.00 C ATOM 381 C LEU A 43 1.058 -0.324 0.128 1.00 0.00 C ATOM 382 O LEU A 43 0.196 -0.326 1.012 1.00 0.00 O ATOM 383 CB LEU A 43 1.242 1.964 -0.821 1.00 0.00 C ATOM 384 CG LEU A 43 2.609 2.450 -1.319 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.985 3.767 -0.664 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.692 1.410 -1.090 1.00 0.00 C ATOM 0 H LEU A 43 -1.131 1.068 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 43 1.550 0.129 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.473 2.604 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.202 2.102 0.259 1.00 0.00 H new ATOM 0 HG LEU A 43 2.527 2.609 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.958 4.092 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.235 4.521 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.032 3.635 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.645 1.791 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.772 1.196 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.437 0.495 -1.626 1.00 0.00 H new ATOM 398 N PHE A 44 2.164 -1.039 0.181 1.00 0.00 N ATOM 399 CA PHE A 44 2.581 -1.752 1.373 1.00 0.00 C ATOM 400 C PHE A 44 4.100 -1.718 1.458 1.00 0.00 C ATOM 401 O PHE A 44 4.787 -2.331 0.642 1.00 0.00 O ATOM 402 CB PHE A 44 2.048 -3.192 1.349 1.00 0.00 C ATOM 403 CG PHE A 44 2.652 -4.125 2.371 1.00 0.00 C ATOM 404 CD1 PHE A 44 3.172 -3.659 3.573 1.00 0.00 C ATOM 405 CD2 PHE A 44 2.699 -5.484 2.115 1.00 0.00 C ATOM 406 CE1 PHE A 44 3.725 -4.532 4.489 1.00 0.00 C ATOM 407 CE2 PHE A 44 3.246 -6.360 3.029 1.00 0.00 C ATOM 408 CZ PHE A 44 3.759 -5.884 4.214 1.00 0.00 C ATOM 0 H PHE A 44 2.803 -1.143 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 44 2.168 -1.271 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.969 -3.164 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.220 -3.608 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.143 -2.602 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.301 -5.864 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.130 -4.158 5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.272 -7.418 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.189 -6.569 4.930 1.00 0.00 H new ATOM 418 N VAL A 45 4.613 -0.959 2.417 1.00 0.00 N ATOM 419 CA VAL A 45 6.050 -0.853 2.608 1.00 0.00 C ATOM 420 C VAL A 45 6.454 -1.555 3.903 1.00 0.00 C ATOM 421 O VAL A 45 5.800 -1.381 4.933 1.00 0.00 O ATOM 422 CB VAL A 45 6.497 0.629 2.654 1.00 0.00 C ATOM 423 CG1 VAL A 45 8.010 0.738 2.767 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.994 1.386 1.428 1.00 0.00 C ATOM 0 H VAL A 45 4.056 -0.410 3.072 1.00 0.00 H new ATOM 0 HA VAL A 45 6.543 -1.334 1.763 1.00 0.00 H new ATOM 0 HB VAL A 45 6.057 1.084 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.298 1.789 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.343 0.244 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.475 0.259 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.320 2.425 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.397 0.926 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.905 1.349 1.399 1.00 0.00 H new ATOM 434 N GLN A 46 7.509 -2.364 3.845 1.00 0.00 N ATOM 435 CA GLN A 46 7.985 -3.069 5.031 1.00 0.00 C ATOM 436 C GLN A 46 8.776 -2.129 5.925 1.00 0.00 C ATOM 437 O GLN A 46 9.554 -1.305 5.444 1.00 0.00 O ATOM 438 CB GLN A 46 8.910 -4.235 4.686 1.00 0.00 C ATOM 439 CG GLN A 46 8.457 -5.154 3.569 1.00 0.00 C ATOM 440 CD GLN A 46 7.101 -5.783 3.799 1.00 0.00 C ATOM 441 OE1 GLN A 46 6.746 -6.015 5.056 1.00 0.00 O flip ATOM 442 NE2 GLN A 46 6.385 -6.073 2.845 1.00 0.00 N flip ATOM 0 H GLN A 46 8.046 -2.546 2.997 1.00 0.00 H new ATOM 0 HA GLN A 46 7.094 -3.446 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.885 -3.828 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.051 -4.835 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.430 -4.590 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.196 -5.945 3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.698 -5.877 1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.477 -6.510 3.003 1.00 0.00 H new ATOM 451 N LEU A 47 8.588 -2.274 7.222 1.00 0.00 N ATOM 452 CA LEU A 47 9.382 -1.534 8.193 1.00 0.00 C ATOM 453 C LEU A 47 9.965 -2.514 9.203 1.00 0.00 C ATOM 454 O LEU A 47 9.387 -3.572 9.442 1.00 0.00 O ATOM 455 CB LEU A 47 8.543 -0.475 8.931 1.00 0.00 C ATOM 456 CG LEU A 47 8.270 0.838 8.188 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.572 1.542 7.842 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.441 0.608 6.939 1.00 0.00 C ATOM 0 H LEU A 47 7.892 -2.897 7.632 1.00 0.00 H new ATOM 0 HA LEU A 47 10.177 -1.013 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.584 -0.923 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.047 -0.236 9.868 1.00 0.00 H new ATOM 0 HG LEU A 47 7.695 1.480 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.354 2.471 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.120 1.764 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.176 0.897 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.267 1.560 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.975 -0.064 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.485 0.162 7.214 1.00 0.00 H new ATOM 470 N PRO A 48 11.118 -2.190 9.802 1.00 0.00 N ATOM 471 CA PRO A 48 11.758 -3.058 10.796 1.00 0.00 C ATOM 472 C PRO A 48 10.994 -3.099 12.120 1.00 0.00 C ATOM 473 O PRO A 48 11.285 -3.924 12.983 1.00 0.00 O ATOM 474 CB PRO A 48 13.143 -2.425 11.002 1.00 0.00 C ATOM 475 CG PRO A 48 13.300 -1.429 9.901 1.00 0.00 C ATOM 476 CD PRO A 48 11.913 -0.983 9.545 1.00 0.00 C ATOM 0 HA PRO A 48 11.795 -4.093 10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.212 -1.944 11.978 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.928 -3.180 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.911 -0.585 10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.799 -1.874 9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.586 -0.143 10.158 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.843 -0.664 8.505 1.00 0.00 H new ATOM 484 N TYR A 49 10.024 -2.202 12.281 1.00 0.00 N ATOM 485 CA TYR A 49 9.274 -2.113 13.532 1.00 0.00 C ATOM 486 C TYR A 49 7.775 -1.963 13.275 1.00 0.00 C ATOM 487 O TYR A 49 6.985 -1.888 14.214 1.00 0.00 O ATOM 488 CB TYR A 49 9.762 -0.923 14.367 1.00 0.00 C ATOM 489 CG TYR A 49 11.252 -0.923 14.635 1.00 0.00 C ATOM 490 CD1 TYR A 49 11.800 -1.728 15.626 1.00 0.00 C ATOM 491 CD2 TYR A 49 12.108 -0.117 13.894 1.00 0.00 C ATOM 492 CE1 TYR A 49 13.160 -1.728 15.870 1.00 0.00 C ATOM 493 CE2 TYR A 49 13.468 -0.112 14.133 1.00 0.00 C ATOM 494 CZ TYR A 49 13.989 -0.919 15.121 1.00 0.00 C ATOM 495 OH TYR A 49 15.343 -0.919 15.362 1.00 0.00 O ATOM 0 H TYR A 49 9.740 -1.531 11.567 1.00 0.00 H new ATOM 0 HA TYR A 49 9.444 -3.040 14.079 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.497 0.001 13.853 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.233 -0.921 15.320 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.154 -2.363 16.214 1.00 0.00 H new ATOM 0 HD2 TYR A 49 11.703 0.516 13.118 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.572 -2.359 16.644 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.120 0.521 13.549 1.00 0.00 H new ATOM 0 HH TYR A 49 15.785 -0.296 14.748 1.00 0.00 H new ATOM 505 N SER A 50 7.391 -1.925 12.007 1.00 0.00 N ATOM 506 CA SER A 50 5.996 -1.679 11.656 1.00 0.00 C ATOM 507 C SER A 50 5.779 -1.941 10.169 1.00 0.00 C ATOM 508 O SER A 50 6.610 -2.589 9.534 1.00 0.00 O ATOM 509 CB SER A 50 5.615 -0.237 12.020 1.00 0.00 C ATOM 510 OG SER A 50 6.530 0.691 11.461 1.00 0.00 O ATOM 0 H SER A 50 8.015 -2.059 11.212 1.00 0.00 H new ATOM 0 HA SER A 50 5.355 -2.358 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.609 -0.022 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.596 -0.125 13.104 1.00 0.00 H new ATOM 0 HG SER A 50 6.263 1.602 11.706 1.00 0.00 H new ATOM 516 N GLU A 51 4.666 -1.458 9.619 1.00 0.00 N ATOM 517 CA GLU A 51 4.399 -1.616 8.192 1.00 0.00 C ATOM 518 C GLU A 51 3.594 -0.427 7.673 1.00 0.00 C ATOM 519 O GLU A 51 2.854 0.207 8.428 1.00 0.00 O ATOM 520 CB GLU A 51 3.619 -2.912 7.914 1.00 0.00 C ATOM 521 CG GLU A 51 4.309 -4.179 8.397 1.00 0.00 C ATOM 522 CD GLU A 51 3.476 -5.421 8.165 1.00 0.00 C ATOM 523 OE1 GLU A 51 2.369 -5.512 8.742 1.00 0.00 O ATOM 524 OE2 GLU A 51 3.927 -6.310 7.416 1.00 0.00 O ATOM 0 H GLU A 51 3.941 -0.959 10.135 1.00 0.00 H new ATOM 0 HA GLU A 51 5.359 -1.666 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.641 -2.842 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.446 -2.994 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.265 -4.286 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.527 -4.086 9.461 1.00 0.00 H new ATOM 531 N ILE A 52 3.750 -0.126 6.389 1.00 0.00 N ATOM 532 CA ILE A 52 2.983 0.937 5.746 1.00 0.00 C ATOM 533 C ILE A 52 1.906 0.345 4.850 1.00 0.00 C ATOM 534 O ILE A 52 2.188 -0.533 4.037 1.00 0.00 O ATOM 535 CB ILE A 52 3.882 1.862 4.893 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.887 2.583 5.783 1.00 0.00 C ATOM 537 CG2 ILE A 52 3.042 2.870 4.117 1.00 0.00 C ATOM 538 CD1 ILE A 52 5.848 3.478 5.028 1.00 0.00 C ATOM 0 H ILE A 52 4.404 -0.605 5.769 1.00 0.00 H new ATOM 0 HA ILE A 52 2.530 1.527 6.542 1.00 0.00 H new ATOM 0 HB ILE A 52 4.424 1.247 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.345 3.184 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.459 1.842 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.696 3.509 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.357 2.340 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.471 3.482 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.530 3.955 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.419 2.881 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.287 4.243 4.491 1.00 0.00 H new ATOM 550 N GLN A 53 0.679 0.826 5.003 1.00 0.00 N ATOM 551 CA GLN A 53 -0.409 0.365 4.158 1.00 0.00 C ATOM 552 C GLN A 53 -1.284 1.552 3.771 1.00 0.00 C ATOM 553 O GLN A 53 -1.675 2.343 4.633 1.00 0.00 O ATOM 554 CB GLN A 53 -1.258 -0.690 4.876 1.00 0.00 C ATOM 555 CG GLN A 53 -0.475 -1.896 5.372 1.00 0.00 C ATOM 556 CD GLN A 53 -1.374 -2.985 5.920 1.00 0.00 C ATOM 557 OE1 GLN A 53 -1.728 -2.985 7.097 1.00 0.00 O ATOM 558 NE2 GLN A 53 -1.729 -3.940 5.078 1.00 0.00 N ATOM 0 H GLN A 53 0.416 1.527 5.696 1.00 0.00 H new ATOM 0 HA GLN A 53 0.016 -0.092 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.756 -0.222 5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.039 -1.033 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.122 -2.299 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.221 -1.579 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.416 -3.907 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.316 -4.710 5.398 1.00 0.00 H new ATOM 567 N GLU A 54 -1.583 1.669 2.483 1.00 0.00 N ATOM 568 CA GLU A 54 -2.385 2.779 1.977 1.00 0.00 C ATOM 569 C GLU A 54 -2.828 2.514 0.544 1.00 0.00 C ATOM 570 O GLU A 54 -2.268 1.654 -0.134 1.00 0.00 O ATOM 571 CB GLU A 54 -1.589 4.090 2.039 1.00 0.00 C ATOM 572 CG GLU A 54 -0.169 3.986 1.503 1.00 0.00 C ATOM 573 CD GLU A 54 0.621 5.252 1.747 1.00 0.00 C ATOM 574 OE1 GLU A 54 0.054 6.350 1.552 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.805 5.155 2.110 1.00 0.00 O ATOM 0 H GLU A 54 -1.282 1.008 1.767 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.270 2.870 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.123 4.853 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.550 4.429 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.337 3.145 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.199 3.778 0.434 1.00 0.00 H new ATOM 582 N CYS A 55 -3.842 3.238 0.089 1.00 0.00 N ATOM 583 CA CYS A 55 -4.227 3.157 -1.314 1.00 0.00 C ATOM 584 C CYS A 55 -3.442 4.184 -2.115 1.00 0.00 C ATOM 585 O CYS A 55 -3.310 5.341 -1.703 1.00 0.00 O ATOM 586 CB CYS A 55 -5.731 3.388 -1.492 1.00 0.00 C ATOM 587 SG CYS A 55 -6.767 2.462 -0.319 1.00 0.00 S ATOM 0 H CYS A 55 -4.402 3.875 0.656 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.998 2.155 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.940 4.452 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.013 3.110 -2.508 1.00 0.00 H new ATOM 592 N LYS A 56 -2.907 3.765 -3.245 1.00 0.00 N ATOM 593 CA LYS A 56 -2.086 4.653 -4.044 1.00 0.00 C ATOM 594 C LYS A 56 -2.431 4.462 -5.510 1.00 0.00 C ATOM 595 O LYS A 56 -2.896 3.397 -5.897 1.00 0.00 O ATOM 596 CB LYS A 56 -0.606 4.349 -3.789 1.00 0.00 C ATOM 597 CG LYS A 56 0.313 5.549 -3.956 1.00 0.00 C ATOM 598 CD LYS A 56 -0.081 6.694 -3.030 1.00 0.00 C ATOM 599 CE LYS A 56 -0.159 6.252 -1.572 1.00 0.00 C ATOM 600 NZ LYS A 56 -0.572 7.363 -0.676 1.00 0.00 N ATOM 0 H LYS A 56 -3.024 2.827 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.277 5.690 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.496 3.959 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.285 3.562 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.341 5.251 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.281 5.890 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.644 7.502 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.047 7.094 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.868 5.429 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.813 5.873 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.310 7.134 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.094 8.240 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.602 7.494 -0.737 1.00 0.00 H new ATOM 614 N THR A 57 -2.232 5.487 -6.319 1.00 0.00 N ATOM 615 CA THR A 57 -2.516 5.345 -7.732 1.00 0.00 C ATOM 616 C THR A 57 -1.433 4.488 -8.376 1.00 0.00 C ATOM 617 O THR A 57 -0.304 4.450 -7.887 1.00 0.00 O ATOM 618 CB THR A 57 -2.598 6.709 -8.443 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.287 7.233 -8.668 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.393 7.708 -7.618 1.00 0.00 C ATOM 0 H THR A 57 -1.885 6.402 -6.031 1.00 0.00 H new ATOM 0 HA THR A 57 -3.489 4.865 -7.836 1.00 0.00 H new ATOM 0 HB THR A 57 -3.102 6.553 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.354 8.099 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.435 8.662 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.405 7.332 -7.467 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.910 7.847 -6.651 1.00 0.00 H new ATOM 628 N VAL A 58 -1.778 3.792 -9.450 1.00 0.00 N ATOM 629 CA VAL A 58 -0.841 2.864 -10.082 1.00 0.00 C ATOM 630 C VAL A 58 0.438 3.581 -10.543 1.00 0.00 C ATOM 631 O VAL A 58 1.539 3.065 -10.377 1.00 0.00 O ATOM 632 CB VAL A 58 -1.480 2.165 -11.302 1.00 0.00 C ATOM 633 CG1 VAL A 58 -0.519 1.158 -11.919 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.784 1.490 -10.912 1.00 0.00 C ATOM 0 H VAL A 58 -2.691 3.849 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.586 2.120 -9.327 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.698 2.927 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.994 0.680 -12.776 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.386 1.671 -12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.260 0.401 -11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.218 1.004 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.591 0.745 -10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.480 2.237 -10.530 1.00 0.00 H new ATOM 644 N GLN A 59 0.291 4.775 -11.117 1.00 0.00 N ATOM 645 CA GLN A 59 1.429 5.485 -11.625 1.00 0.00 C ATOM 646 C GLN A 59 2.340 5.971 -10.498 1.00 0.00 C ATOM 647 O GLN A 59 3.555 5.759 -10.531 1.00 0.00 O ATOM 648 CB GLN A 59 0.928 6.647 -12.474 1.00 0.00 C ATOM 649 CG GLN A 59 0.366 7.820 -11.682 1.00 0.00 C ATOM 650 CD GLN A 59 0.208 9.071 -12.519 1.00 0.00 C ATOM 651 OE1 GLN A 59 -0.829 9.289 -13.140 1.00 0.00 O ATOM 652 NE2 GLN A 59 1.233 9.909 -12.529 1.00 0.00 N ATOM 0 H GLN A 59 -0.602 5.254 -11.234 1.00 0.00 H new ATOM 0 HA GLN A 59 2.032 4.814 -12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.749 7.006 -13.095 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.155 6.279 -13.149 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.603 7.541 -11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.024 8.033 -10.840 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.076 9.690 -11.999 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.179 10.774 -13.067 1.00 0.00 H new ATOM 661 N GLN A 60 1.745 6.593 -9.485 1.00 0.00 N ATOM 662 CA GLN A 60 2.518 7.152 -8.395 1.00 0.00 C ATOM 663 C GLN A 60 3.123 6.033 -7.575 1.00 0.00 C ATOM 664 O GLN A 60 4.244 6.135 -7.128 1.00 0.00 O ATOM 665 CB GLN A 60 1.644 8.036 -7.495 1.00 0.00 C ATOM 666 CG GLN A 60 0.943 9.186 -8.213 1.00 0.00 C ATOM 667 CD GLN A 60 1.649 10.524 -8.065 1.00 0.00 C ATOM 668 OE1 GLN A 60 2.967 10.513 -8.051 1.00 0.00 O flip ATOM 669 NE2 GLN A 60 1.001 11.567 -8.003 1.00 0.00 N flip ATOM 0 H GLN A 60 0.736 6.719 -9.401 1.00 0.00 H new ATOM 0 HA GLN A 60 3.310 7.770 -8.818 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.890 7.411 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.266 8.448 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.861 8.944 -9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.073 9.277 -7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.018 11.536 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.483 12.464 -7.938 1.00 0.00 H new ATOM 678 N CYS A 61 2.381 4.950 -7.399 1.00 0.00 N ATOM 679 CA CYS A 61 2.876 3.831 -6.609 1.00 0.00 C ATOM 680 C CYS A 61 4.132 3.248 -7.240 1.00 0.00 C ATOM 681 O CYS A 61 4.993 2.743 -6.539 1.00 0.00 O ATOM 682 CB CYS A 61 1.825 2.731 -6.479 1.00 0.00 C ATOM 683 SG CYS A 61 1.803 1.567 -7.883 1.00 0.00 S ATOM 0 H CYS A 61 1.446 4.822 -7.786 1.00 0.00 H new ATOM 0 HA CYS A 61 3.107 4.213 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.007 2.174 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.841 3.190 -6.384 1.00 0.00 H new ATOM 688 N ALA A 62 4.211 3.292 -8.565 1.00 0.00 N ATOM 689 CA ALA A 62 5.395 2.811 -9.259 1.00 0.00 C ATOM 690 C ALA A 62 6.598 3.685 -8.933 1.00 0.00 C ATOM 691 O ALA A 62 7.667 3.185 -8.586 1.00 0.00 O ATOM 692 CB ALA A 62 5.154 2.791 -10.759 1.00 0.00 C ATOM 0 H ALA A 62 3.476 3.652 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 62 5.603 1.795 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.048 2.429 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.317 2.131 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.924 3.799 -11.104 1.00 0.00 H new ATOM 698 N GLU A 63 6.401 4.992 -9.012 1.00 0.00 N ATOM 699 CA GLU A 63 7.484 5.937 -8.791 1.00 0.00 C ATOM 700 C GLU A 63 7.877 5.983 -7.306 1.00 0.00 C ATOM 701 O GLU A 63 9.061 6.054 -6.967 1.00 0.00 O ATOM 702 CB GLU A 63 7.072 7.305 -9.329 1.00 0.00 C ATOM 703 CG GLU A 63 6.128 8.054 -8.434 1.00 0.00 C ATOM 704 CD GLU A 63 5.523 9.259 -9.114 1.00 0.00 C ATOM 705 OE1 GLU A 63 4.503 9.087 -9.818 1.00 0.00 O ATOM 706 OE2 GLU A 63 6.052 10.374 -8.944 1.00 0.00 O ATOM 0 H GLU A 63 5.502 5.422 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 63 8.373 5.613 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.967 7.908 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.605 7.174 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.331 7.385 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.659 8.375 -7.538 1.00 0.00 H new ATOM 713 N VAL A 64 6.883 5.888 -6.424 1.00 0.00 N ATOM 714 CA VAL A 64 7.125 5.848 -5.015 1.00 0.00 C ATOM 715 C VAL A 64 7.697 4.490 -4.609 1.00 0.00 C ATOM 716 O VAL A 64 8.374 4.355 -3.592 1.00 0.00 O ATOM 717 CB VAL A 64 5.829 6.139 -4.255 1.00 0.00 C ATOM 718 CG1 VAL A 64 5.177 7.430 -4.730 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.887 4.975 -4.335 1.00 0.00 C ATOM 0 H VAL A 64 5.898 5.838 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 64 7.858 6.614 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 64 6.084 6.283 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.260 7.603 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.862 8.263 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.942 7.350 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.974 5.208 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.643 4.775 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.358 4.095 -3.898 1.00 0.00 H new ATOM 729 N LEU A 65 7.380 3.470 -5.387 1.00 0.00 N ATOM 730 CA LEU A 65 7.945 2.157 -5.166 1.00 0.00 C ATOM 731 C LEU A 65 9.456 2.242 -5.242 1.00 0.00 C ATOM 732 O LEU A 65 10.160 1.781 -4.348 1.00 0.00 O ATOM 733 CB LEU A 65 7.427 1.163 -6.212 1.00 0.00 C ATOM 734 CG LEU A 65 7.906 -0.276 -6.039 1.00 0.00 C ATOM 735 CD1 LEU A 65 7.492 -0.802 -4.685 1.00 0.00 C ATOM 736 CD2 LEU A 65 7.343 -1.163 -7.132 1.00 0.00 C ATOM 0 H LEU A 65 6.735 3.529 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 65 7.645 1.805 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.337 1.171 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.727 1.512 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 65 8.994 -0.287 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.839 -1.829 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.932 -0.182 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.406 -0.774 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.697 -2.184 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.254 -1.147 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.673 -0.797 -8.104 1.00 0.00 H new ATOM 748 N GLU A 66 9.947 2.864 -6.302 1.00 0.00 N ATOM 749 CA GLU A 66 11.377 2.922 -6.538 1.00 0.00 C ATOM 750 C GLU A 66 12.078 3.895 -5.609 1.00 0.00 C ATOM 751 O GLU A 66 13.222 3.657 -5.219 1.00 0.00 O ATOM 752 CB GLU A 66 11.671 3.262 -8.000 1.00 0.00 C ATOM 753 CG GLU A 66 11.034 2.300 -8.990 1.00 0.00 C ATOM 754 CD GLU A 66 11.324 2.669 -10.432 1.00 0.00 C ATOM 755 OE1 GLU A 66 10.635 3.561 -10.967 1.00 0.00 O ATOM 756 OE2 GLU A 66 12.241 2.062 -11.027 1.00 0.00 O ATOM 0 H GLU A 66 9.379 3.333 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 66 11.776 1.931 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.316 4.271 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.750 3.266 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.399 1.291 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.956 2.284 -8.833 1.00 0.00 H new ATOM 763 N GLU A 67 11.407 4.974 -5.241 1.00 0.00 N ATOM 764 CA GLU A 67 12.020 5.951 -4.367 1.00 0.00 C ATOM 765 C GLU A 67 12.397 5.301 -3.031 1.00 0.00 C ATOM 766 O GLU A 67 13.510 5.476 -2.541 1.00 0.00 O ATOM 767 CB GLU A 67 11.076 7.124 -4.153 1.00 0.00 C ATOM 768 CG GLU A 67 9.858 6.707 -3.424 1.00 0.00 C ATOM 769 CD GLU A 67 8.943 7.861 -3.066 1.00 0.00 C ATOM 770 OE1 GLU A 67 8.326 8.437 -3.982 1.00 0.00 O ATOM 771 OE2 GLU A 67 8.853 8.192 -1.866 1.00 0.00 O ATOM 0 H GLU A 67 10.453 5.191 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 67 12.931 6.325 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.587 7.908 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.798 7.550 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.306 5.992 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.150 6.189 -2.511 1.00 0.00 H new ATOM 778 N VAL A 68 11.474 4.522 -2.464 1.00 0.00 N ATOM 779 CA VAL A 68 11.726 3.883 -1.180 1.00 0.00 C ATOM 780 C VAL A 68 12.584 2.626 -1.326 1.00 0.00 C ATOM 781 O VAL A 68 13.378 2.312 -0.438 1.00 0.00 O ATOM 782 CB VAL A 68 10.418 3.534 -0.430 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.625 4.794 -0.124 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.569 2.552 -1.224 1.00 0.00 C ATOM 0 H VAL A 68 10.560 4.323 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 68 12.275 4.615 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 68 10.692 3.056 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.709 4.528 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.223 5.458 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.373 5.301 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.658 2.328 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.309 2.992 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.131 1.632 -1.385 1.00 0.00 H new ATOM 794 N THR A 69 12.442 1.910 -2.441 1.00 0.00 N ATOM 795 CA THR A 69 13.202 0.689 -2.631 1.00 0.00 C ATOM 796 C THR A 69 14.674 0.998 -2.874 1.00 0.00 C ATOM 797 O THR A 69 15.547 0.189 -2.561 1.00 0.00 O ATOM 798 CB THR A 69 12.643 -0.172 -3.777 1.00 0.00 C ATOM 799 OG1 THR A 69 12.435 0.624 -4.942 1.00 0.00 O ATOM 800 CG2 THR A 69 11.342 -0.848 -3.369 1.00 0.00 C ATOM 0 H THR A 69 11.818 2.154 -3.210 1.00 0.00 H new ATOM 0 HA THR A 69 13.108 0.112 -1.711 1.00 0.00 H new ATOM 0 HB THR A 69 13.376 -0.947 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.478 0.811 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.969 -1.450 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.520 -1.489 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.603 -0.089 -3.111 1.00 0.00 H new ATOM 808 N ALA A 70 14.944 2.189 -3.402 1.00 0.00 N ATOM 809 CA ALA A 70 16.319 2.630 -3.597 1.00 0.00 C ATOM 810 C ALA A 70 16.971 2.953 -2.257 1.00 0.00 C ATOM 811 O ALA A 70 18.193 2.938 -2.129 1.00 0.00 O ATOM 812 CB ALA A 70 16.365 3.841 -4.517 1.00 0.00 C ATOM 0 H ALA A 70 14.235 2.859 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 70 16.877 1.820 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.400 4.157 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.937 3.579 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.792 4.656 -4.075 1.00 0.00 H new ATOM 818 N ILE A 71 16.141 3.245 -1.261 1.00 0.00 N ATOM 819 CA ILE A 71 16.628 3.519 0.085 1.00 0.00 C ATOM 820 C ILE A 71 16.847 2.206 0.832 1.00 0.00 C ATOM 821 O ILE A 71 17.663 2.122 1.749 1.00 0.00 O ATOM 822 CB ILE A 71 15.636 4.394 0.888 1.00 0.00 C ATOM 823 CG1 ILE A 71 15.143 5.569 0.040 1.00 0.00 C ATOM 824 CG2 ILE A 71 16.299 4.907 2.162 1.00 0.00 C ATOM 825 CD1 ILE A 71 14.110 6.432 0.734 1.00 0.00 C ATOM 0 H ILE A 71 15.127 3.298 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 71 17.567 4.064 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 71 14.777 3.780 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.996 6.190 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.718 5.183 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.591 5.521 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.608 4.062 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 71 17.172 5.505 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.809 7.243 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.239 5.826 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.537 6.848 1.646 1.00 0.00 H new ATOM 837 N GLY A 72 16.114 1.180 0.418 1.00 0.00 N ATOM 838 CA GLY A 72 16.244 -0.108 1.068 1.00 0.00 C ATOM 839 C GLY A 72 14.933 -0.599 1.651 1.00 0.00 C ATOM 840 O GLY A 72 14.872 -1.684 2.225 1.00 0.00 O ATOM 0 H GLY A 72 15.440 1.216 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.614 -0.839 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.987 -0.037 1.862 1.00 0.00 H new ATOM 844 N TYR A 73 13.882 0.199 1.502 1.00 0.00 N ATOM 845 CA TYR A 73 12.576 -0.159 2.024 1.00 0.00 C ATOM 846 C TYR A 73 11.810 -1.024 1.026 1.00 0.00 C ATOM 847 O TYR A 73 11.486 -0.570 -0.072 1.00 0.00 O ATOM 848 CB TYR A 73 11.769 1.104 2.322 1.00 0.00 C ATOM 849 CG TYR A 73 12.326 1.951 3.443 1.00 0.00 C ATOM 850 CD1 TYR A 73 12.132 1.595 4.771 1.00 0.00 C ATOM 851 CD2 TYR A 73 13.035 3.114 3.173 1.00 0.00 C ATOM 852 CE1 TYR A 73 12.629 2.375 5.798 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.537 3.898 4.195 1.00 0.00 C ATOM 854 CZ TYR A 73 13.331 3.524 5.506 1.00 0.00 C ATOM 855 OH TYR A 73 13.826 4.304 6.525 1.00 0.00 O ATOM 0 H TYR A 73 13.913 1.099 1.023 1.00 0.00 H new ATOM 0 HA TYR A 73 12.722 -0.728 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.717 1.709 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.748 0.817 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.584 0.694 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.197 3.411 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.468 2.085 6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 73 14.088 4.799 3.968 1.00 0.00 H new ATOM 0 HH TYR A 73 14.296 5.076 6.147 1.00 0.00 H new ATOM 865 N PRO A 74 11.525 -2.287 1.384 1.00 0.00 N ATOM 866 CA PRO A 74 10.695 -3.175 0.566 1.00 0.00 C ATOM 867 C PRO A 74 9.276 -2.648 0.441 1.00 0.00 C ATOM 868 O PRO A 74 8.668 -2.256 1.435 1.00 0.00 O ATOM 869 CB PRO A 74 10.693 -4.487 1.353 1.00 0.00 C ATOM 870 CG PRO A 74 11.898 -4.407 2.211 1.00 0.00 C ATOM 871 CD PRO A 74 11.997 -2.966 2.599 1.00 0.00 C ATOM 0 HA PRO A 74 11.074 -3.273 -0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.787 -4.590 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.736 -5.349 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.802 -5.047 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.788 -4.734 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.376 -2.733 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.018 -2.682 2.854 1.00 0.00 H new ATOM 879 N ALA A 75 8.752 -2.638 -0.768 1.00 0.00 N ATOM 880 CA ALA A 75 7.406 -2.131 -0.981 1.00 0.00 C ATOM 881 C ALA A 75 6.698 -2.876 -2.104 1.00 0.00 C ATOM 882 O ALA A 75 7.329 -3.569 -2.901 1.00 0.00 O ATOM 883 CB ALA A 75 7.451 -0.643 -1.285 1.00 0.00 C ATOM 0 H ALA A 75 9.226 -2.969 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 75 6.838 -2.295 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.438 -0.273 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.904 -0.114 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.044 -0.473 -2.184 1.00 0.00 H new ATOM 889 N LYS A 76 5.380 -2.732 -2.146 1.00 0.00 N ATOM 890 CA LYS A 76 4.579 -3.281 -3.231 1.00 0.00 C ATOM 891 C LYS A 76 3.425 -2.354 -3.566 1.00 0.00 C ATOM 892 O LYS A 76 2.929 -1.629 -2.701 1.00 0.00 O ATOM 893 CB LYS A 76 3.982 -4.649 -2.867 1.00 0.00 C ATOM 894 CG LYS A 76 3.180 -4.634 -1.573 1.00 0.00 C ATOM 895 CD LYS A 76 2.096 -5.707 -1.545 1.00 0.00 C ATOM 896 CE LYS A 76 2.668 -7.111 -1.448 1.00 0.00 C ATOM 897 NZ LYS A 76 1.588 -8.133 -1.341 1.00 0.00 N ATOM 0 H LYS A 76 4.841 -2.236 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 76 5.250 -3.390 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.339 -4.984 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.788 -5.377 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.855 -4.781 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.720 -3.654 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.435 -5.528 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.488 -5.628 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.280 -7.317 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.323 -7.179 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.997 -9.083 -1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.128 -8.056 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.884 -7.974 -2.090 1.00 0.00 H new ATOM 911 N CYS A 77 3.018 -2.373 -4.821 1.00 0.00 N ATOM 912 CA CYS A 77 1.711 -1.872 -5.183 1.00 0.00 C ATOM 913 C CYS A 77 1.098 -2.787 -6.232 1.00 0.00 C ATOM 914 O CYS A 77 1.407 -2.708 -7.424 1.00 0.00 O ATOM 915 CB CYS A 77 1.725 -0.418 -5.664 1.00 0.00 C ATOM 916 SG CYS A 77 2.730 -0.075 -7.136 1.00 0.00 S ATOM 0 H CYS A 77 3.571 -2.728 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 77 1.100 -1.873 -4.280 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.699 -0.115 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 77 2.085 0.210 -4.849 1.00 0.00 H new ATOM 921 N CYS A 78 0.247 -3.680 -5.779 1.00 0.00 N ATOM 922 CA CYS A 78 -0.378 -4.624 -6.690 1.00 0.00 C ATOM 923 C CYS A 78 -1.846 -4.280 -6.901 1.00 0.00 C ATOM 924 O CYS A 78 -2.418 -3.490 -6.151 1.00 0.00 O ATOM 925 CB CYS A 78 -0.224 -6.040 -6.139 1.00 0.00 C ATOM 926 SG CYS A 78 -0.347 -6.132 -4.322 1.00 0.00 S ATOM 0 H CYS A 78 -0.028 -3.776 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 78 0.117 -4.565 -7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -0.990 -6.678 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.741 -6.439 -6.450 1.00 0.00 H new ATOM 931 N CYS A 79 -2.442 -4.855 -7.938 1.00 0.00 N ATOM 932 CA CYS A 79 -3.833 -4.564 -8.246 1.00 0.00 C ATOM 933 C CYS A 79 -4.691 -5.767 -7.901 1.00 0.00 C ATOM 934 O CYS A 79 -4.758 -6.742 -8.650 1.00 0.00 O ATOM 935 CB CYS A 79 -3.987 -4.194 -9.722 1.00 0.00 C ATOM 936 SG CYS A 79 -3.201 -5.361 -10.858 1.00 0.00 S ATOM 0 H CYS A 79 -1.991 -5.516 -8.571 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.162 -3.713 -7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.048 -4.129 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.563 -3.203 -9.884 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.487 -6.577 -10.497 1.00 0.00 H new ATOM 942 N GLU A 80 -5.335 -5.666 -6.755 1.00 0.00 N ATOM 943 CA GLU A 80 -6.089 -6.752 -6.156 1.00 0.00 C ATOM 944 C GLU A 80 -6.568 -6.271 -4.801 1.00 0.00 C ATOM 945 O GLU A 80 -5.812 -5.603 -4.090 1.00 0.00 O ATOM 946 CB GLU A 80 -5.199 -7.996 -5.999 1.00 0.00 C ATOM 947 CG GLU A 80 -5.798 -9.104 -5.146 1.00 0.00 C ATOM 948 CD GLU A 80 -4.790 -10.194 -4.823 1.00 0.00 C ATOM 949 OE1 GLU A 80 -4.066 -10.058 -3.809 1.00 0.00 O ATOM 950 OE2 GLU A 80 -4.711 -11.179 -5.581 1.00 0.00 O ATOM 0 H GLU A 80 -5.350 -4.809 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.934 -7.029 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.980 -8.396 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.248 -7.693 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.179 -8.679 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.648 -9.542 -5.669 1.00 0.00 H new ATOM 957 N ASP A 81 -7.809 -6.563 -4.449 1.00 0.00 N ATOM 958 CA ASP A 81 -8.300 -6.121 -3.155 1.00 0.00 C ATOM 959 C ASP A 81 -7.489 -6.752 -2.055 1.00 0.00 C ATOM 960 O ASP A 81 -7.127 -7.927 -2.125 1.00 0.00 O ATOM 961 CB ASP A 81 -9.775 -6.455 -2.928 1.00 0.00 C ATOM 962 CG ASP A 81 -10.696 -5.667 -3.839 1.00 0.00 C ATOM 963 OD1 ASP A 81 -11.001 -4.497 -3.512 1.00 0.00 O ATOM 964 OD2 ASP A 81 -11.108 -6.215 -4.882 1.00 0.00 O ATOM 0 H ASP A 81 -8.475 -7.086 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.199 -5.036 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.932 -7.521 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.035 -6.251 -1.889 1.00 0.00 H new ATOM 969 N LEU A 82 -7.193 -5.949 -1.050 1.00 0.00 N ATOM 970 CA LEU A 82 -6.522 -6.416 0.151 1.00 0.00 C ATOM 971 C LEU A 82 -5.106 -6.904 -0.170 1.00 0.00 C ATOM 972 O LEU A 82 -4.465 -7.535 0.664 1.00 0.00 O ATOM 973 CB LEU A 82 -7.324 -7.552 0.832 1.00 0.00 C ATOM 974 CG LEU A 82 -8.839 -7.322 1.036 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.178 -5.852 1.215 1.00 0.00 C ATOM 976 CD2 LEU A 82 -9.652 -7.955 -0.081 1.00 0.00 C ATOM 0 H LEU A 82 -7.411 -4.953 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.458 -5.573 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.196 -8.458 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.877 -7.744 1.807 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.114 -7.821 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.253 -5.741 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.656 -5.462 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.868 -5.297 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.713 -7.774 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.362 -7.517 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.466 -9.029 -0.103 1.00 0.00 H new ATOM 988 N CYS A 83 -4.606 -6.576 -1.364 1.00 0.00 N ATOM 989 CA CYS A 83 -3.316 -7.103 -1.815 1.00 0.00 C ATOM 990 C CYS A 83 -2.157 -6.478 -1.050 1.00 0.00 C ATOM 991 O CYS A 83 -1.060 -7.038 -0.997 1.00 0.00 O ATOM 992 CB CYS A 83 -3.121 -6.876 -3.317 1.00 0.00 C ATOM 993 SG CYS A 83 -1.628 -7.672 -4.003 1.00 0.00 S ATOM 0 H CYS A 83 -5.068 -5.956 -2.029 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.325 -8.175 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.996 -7.252 -3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.069 -5.804 -3.508 1.00 0.00 H new ATOM 998 N ASN A 84 -2.397 -5.330 -0.435 1.00 0.00 N ATOM 999 CA ASN A 84 -1.338 -4.669 0.311 1.00 0.00 C ATOM 1000 C ASN A 84 -1.271 -5.207 1.742 1.00 0.00 C ATOM 1001 O ASN A 84 -0.715 -4.564 2.631 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.526 -3.148 0.312 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.641 -2.666 1.219 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.645 -3.351 1.427 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.465 -1.475 1.761 1.00 0.00 N ATOM 0 H ASN A 84 -3.295 -4.846 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.392 -4.887 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.592 -2.677 0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.731 -2.817 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.176 -1.086 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.618 -0.944 1.560 1.00 0.00 H new ATOM 1012 N ARG A 85 -1.844 -6.391 1.953 1.00 0.00 N ATOM 1013 CA ARG A 85 -1.773 -7.067 3.247 1.00 0.00 C ATOM 1014 C ARG A 85 -0.340 -7.488 3.539 1.00 0.00 C ATOM 1015 O ARG A 85 0.486 -7.549 2.629 1.00 0.00 O ATOM 1016 CB ARG A 85 -2.670 -8.319 3.278 1.00 0.00 C ATOM 1017 CG ARG A 85 -2.100 -9.514 2.513 1.00 0.00 C ATOM 1018 CD ARG A 85 -2.178 -9.308 1.013 1.00 0.00 C ATOM 1019 NE ARG A 85 -1.297 -10.200 0.268 1.00 0.00 N ATOM 1020 CZ ARG A 85 -1.548 -10.618 -0.970 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -2.712 -10.328 -1.543 1.00 0.00 N ATOM 1022 NH2 ARG A 85 -0.643 -11.337 -1.623 1.00 0.00 N ATOM 0 H ARG A 85 -2.365 -6.903 1.241 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.122 -6.363 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.834 -8.610 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.644 -8.065 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.062 -9.672 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.648 -10.416 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.205 -9.463 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.921 -8.275 0.780 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.441 -10.521 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.410 -9.786 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.907 -10.647 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.244 -11.569 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.835 -11.658 -2.572 1.00 0.00 H new ATOM 1036 N SER A 86 -0.060 -7.793 4.797 1.00 0.00 N ATOM 1037 CA SER A 86 1.252 -8.302 5.148 1.00 0.00 C ATOM 1038 C SER A 86 1.398 -9.723 4.622 1.00 0.00 C ATOM 1039 O SER A 86 0.460 -10.520 4.696 1.00 0.00 O ATOM 1040 CB SER A 86 1.450 -8.277 6.666 1.00 0.00 C ATOM 1041 OG SER A 86 2.778 -8.626 7.015 1.00 0.00 O ATOM 0 H SER A 86 -0.711 -7.699 5.577 1.00 0.00 H new ATOM 0 HA SER A 86 2.014 -7.667 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.220 -7.283 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.753 -8.970 7.138 1.00 0.00 H new ATOM 0 HG SER A 86 3.324 -7.815 7.076 1.00 0.00 H new ATOM 1047 N GLU A 87 2.570 -10.034 4.091 1.00 0.00 N ATOM 1048 CA GLU A 87 2.820 -11.344 3.508 1.00 0.00 C ATOM 1049 C GLU A 87 3.328 -12.310 4.575 1.00 0.00 C ATOM 1050 O GLU A 87 3.800 -13.406 4.271 1.00 0.00 O ATOM 1051 CB GLU A 87 3.839 -11.222 2.372 1.00 0.00 C ATOM 1052 CG GLU A 87 3.484 -10.155 1.343 1.00 0.00 C ATOM 1053 CD GLU A 87 2.240 -10.482 0.531 1.00 0.00 C ATOM 1054 OE1 GLU A 87 1.149 -10.604 1.116 1.00 0.00 O ATOM 1055 OE2 GLU A 87 2.341 -10.570 -0.712 1.00 0.00 O ATOM 0 H GLU A 87 3.365 -9.396 4.051 1.00 0.00 H new ATOM 0 HA GLU A 87 1.886 -11.736 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.817 -10.994 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.926 -12.185 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.334 -9.204 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.326 -10.022 0.664 1.00 0.00 H new ATOM 1062 N GLN A 88 3.232 -11.893 5.830 1.00 0.00 N ATOM 1063 CA GLN A 88 3.657 -12.734 6.934 1.00 0.00 C ATOM 1064 C GLN A 88 2.530 -12.879 7.950 1.00 0.00 C ATOM 1065 O GLN A 88 1.530 -12.165 7.880 1.00 0.00 O ATOM 1066 CB GLN A 88 4.898 -12.145 7.605 1.00 0.00 C ATOM 1067 CG GLN A 88 5.450 -13.008 8.729 1.00 0.00 C ATOM 1068 CD GLN A 88 6.676 -12.403 9.388 1.00 0.00 C ATOM 1069 OE1 GLN A 88 7.449 -11.645 8.625 1.00 0.00 O flip ATOM 1070 NE2 GLN A 88 6.925 -12.617 10.570 1.00 0.00 N flip ATOM 0 H GLN A 88 2.865 -10.982 6.105 1.00 0.00 H new ATOM 0 HA GLN A 88 3.907 -13.720 6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.674 -12.002 6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.653 -11.160 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.675 -13.156 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.704 -13.992 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.304 -13.207 11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.753 -12.205 10.999 1.00 0.00 H new TER 1079 GLN A 88