USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 623 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 ASN : amide:sc= -5.89! C(o=-5.9!,f=-5!) USER MOD Single : A 2 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.167 (180deg=-2.45!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.211 (180deg=-0.959) USER MOD Single : A 24 THR OG1 : rot 180:sc= -3.36! USER MOD Single : A 27 SER OG : rot 151:sc= -1.06! USER MOD Single : A 28 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -22.5! C(o=-22!,f=-14!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.23) USER MOD Single : A 58 HIS : no HD1:sc= -1.45! K(o=-1.5!,f=-0.23) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0355 (180deg=-0.303) USER MOD Single : A 64 GLN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 150:sc= -3.4! USER MOD Single : A 75 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD Single : A 76 ASN : amide:sc= -0.95! K(o=-0.95!,f=0) USER MOD Single : A 78 MET CE :methyl -147:sc= -1.46 (180deg=-2.36!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -4.174 -6.795 11.725 1.00 0.00 N ATOM 21 CA ASN A 2 -3.442 -5.674 12.296 1.00 0.00 C ATOM 22 C ASN A 2 -2.020 -5.617 11.758 1.00 0.00 C ATOM 23 O ASN A 2 -1.438 -4.542 11.633 1.00 0.00 O ATOM 24 CB ASN A 2 -3.411 -5.766 13.822 1.00 0.00 C ATOM 25 CG ASN A 2 -3.684 -7.171 14.322 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.631 -7.403 15.072 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.849 -8.119 13.909 1.00 0.00 N ATOM 0 HA ASN A 2 -3.962 -4.761 12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.436 -5.438 14.183 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.152 -5.084 14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.981 -9.083 14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.076 -7.882 13.287 1.00 0.00 H new ATOM 34 N ASP A 3 -1.464 -6.780 11.455 1.00 0.00 N ATOM 35 CA ASP A 3 -0.101 -6.866 10.943 1.00 0.00 C ATOM 36 C ASP A 3 0.103 -5.938 9.752 1.00 0.00 C ATOM 37 O ASP A 3 1.141 -5.286 9.629 1.00 0.00 O ATOM 38 CB ASP A 3 0.226 -8.306 10.544 1.00 0.00 C ATOM 39 CG ASP A 3 -0.018 -8.567 9.070 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.188 -8.782 8.691 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.962 -8.558 8.295 1.00 0.00 O ATOM 0 H ASP A 3 -1.935 -7.679 11.554 1.00 0.00 H new ATOM 0 HA ASP A 3 0.574 -6.551 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.269 -8.518 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.380 -8.991 11.137 1.00 0.00 H new ATOM 46 N VAL A 4 -0.892 -5.882 8.881 1.00 0.00 N ATOM 47 CA VAL A 4 -0.825 -5.034 7.699 1.00 0.00 C ATOM 48 C VAL A 4 -0.804 -3.559 8.080 1.00 0.00 C ATOM 49 O VAL A 4 -0.018 -2.783 7.549 1.00 0.00 O ATOM 50 CB VAL A 4 -2.013 -5.290 6.749 1.00 0.00 C ATOM 51 CG1 VAL A 4 -1.752 -6.511 5.878 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.300 -5.451 7.538 1.00 0.00 C ATOM 0 H VAL A 4 -1.758 -6.414 8.970 1.00 0.00 H new ATOM 0 HA VAL A 4 0.102 -5.288 7.184 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.122 -4.426 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.602 -6.674 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.854 -6.348 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.613 -7.387 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.127 -5.631 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.205 -6.295 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.493 -4.543 8.109 1.00 0.00 H new ATOM 62 N LEU A 5 -1.677 -3.180 9.004 1.00 0.00 N ATOM 63 CA LEU A 5 -1.769 -1.802 9.462 1.00 0.00 C ATOM 64 C LEU A 5 -0.519 -1.385 10.223 1.00 0.00 C ATOM 65 O LEU A 5 -0.110 -0.228 10.180 1.00 0.00 O ATOM 66 CB LEU A 5 -3.000 -1.619 10.346 1.00 0.00 C ATOM 67 CG LEU A 5 -4.079 -0.698 9.773 1.00 0.00 C ATOM 68 CD1 LEU A 5 -4.938 -1.445 8.766 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.939 -0.127 10.890 1.00 0.00 C ATOM 0 H LEU A 5 -2.337 -3.815 9.454 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.859 -1.165 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.442 -2.598 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.680 -1.223 11.310 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.589 0.129 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.700 -0.774 8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.312 -1.806 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.419 -2.292 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.701 0.526 10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.420 -0.942 11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.313 0.445 11.575 1.00 0.00 H new ATOM 81 N THR A 6 0.068 -2.324 10.943 1.00 0.00 N ATOM 82 CA THR A 6 1.256 -2.041 11.734 1.00 0.00 C ATOM 83 C THR A 6 2.406 -1.539 10.868 1.00 0.00 C ATOM 84 O THR A 6 2.926 -0.442 11.081 1.00 0.00 O ATOM 85 CB THR A 6 1.693 -3.291 12.497 1.00 0.00 C ATOM 86 OG1 THR A 6 1.788 -3.021 13.885 1.00 0.00 O ATOM 87 CG2 THR A 6 3.033 -3.825 12.044 1.00 0.00 C ATOM 0 H THR A 6 -0.257 -3.289 10.998 1.00 0.00 H new ATOM 0 HA THR A 6 0.998 -1.252 12.441 1.00 0.00 H new ATOM 0 HB THR A 6 0.929 -4.041 12.290 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.067 -3.833 14.358 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.286 -4.712 12.624 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.982 -4.085 10.987 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.798 -3.063 12.194 1.00 0.00 H new ATOM 95 N ARG A 7 2.800 -2.346 9.894 1.00 0.00 N ATOM 96 CA ARG A 7 3.888 -1.987 9.001 1.00 0.00 C ATOM 97 C ARG A 7 3.422 -0.996 7.942 1.00 0.00 C ATOM 98 O ARG A 7 4.115 -0.025 7.639 1.00 0.00 O ATOM 99 CB ARG A 7 4.490 -3.233 8.346 1.00 0.00 C ATOM 100 CG ARG A 7 3.542 -3.957 7.412 1.00 0.00 C ATOM 101 CD ARG A 7 3.472 -3.279 6.054 1.00 0.00 C ATOM 102 NE ARG A 7 2.098 -3.164 5.586 1.00 0.00 N ATOM 103 CZ ARG A 7 1.239 -4.175 5.592 1.00 0.00 C ATOM 104 NH1 ARG A 7 1.637 -5.382 5.971 1.00 0.00 N ATOM 105 NH2 ARG A 7 -0.014 -3.986 5.210 1.00 0.00 N ATOM 0 H ARG A 7 2.380 -3.256 9.703 1.00 0.00 H new ATOM 0 HA ARG A 7 4.664 -1.506 9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.382 -2.944 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.811 -3.922 9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.869 -4.989 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.547 -3.989 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.920 -2.287 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.057 -3.848 5.331 1.00 0.00 H new ATOM 0 HE ARG A 7 1.780 -2.260 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.604 -5.533 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.976 -6.159 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.322 -3.061 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.672 -4.765 5.216 1.00 0.00 H new ATOM 119 N VAL A 8 2.244 -1.246 7.379 1.00 0.00 N ATOM 120 CA VAL A 8 1.696 -0.370 6.354 1.00 0.00 C ATOM 121 C VAL A 8 1.514 1.043 6.890 1.00 0.00 C ATOM 122 O VAL A 8 1.955 2.014 6.275 1.00 0.00 O ATOM 123 CB VAL A 8 0.341 -0.882 5.829 1.00 0.00 C ATOM 124 CG1 VAL A 8 -0.808 -0.172 6.527 1.00 0.00 C ATOM 125 CG2 VAL A 8 0.253 -0.700 4.322 1.00 0.00 C ATOM 0 H VAL A 8 1.654 -2.044 7.615 1.00 0.00 H new ATOM 0 HA VAL A 8 2.411 -0.363 5.532 1.00 0.00 H new ATOM 0 HB VAL A 8 0.265 -1.947 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.756 -0.548 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.753 -0.358 7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.740 0.900 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.710 -1.067 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.352 0.357 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.054 -1.260 3.840 1.00 0.00 H new ATOM 135 N LEU A 9 0.866 1.153 8.046 1.00 0.00 N ATOM 136 CA LEU A 9 0.635 2.452 8.670 1.00 0.00 C ATOM 137 C LEU A 9 1.958 3.169 8.913 1.00 0.00 C ATOM 138 O LEU A 9 2.085 4.366 8.657 1.00 0.00 O ATOM 139 CB LEU A 9 -0.118 2.286 9.992 1.00 0.00 C ATOM 140 CG LEU A 9 0.768 2.097 11.224 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.254 3.441 11.743 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.016 1.345 12.308 1.00 0.00 C ATOM 0 H LEU A 9 0.492 0.361 8.569 1.00 0.00 H new ATOM 0 HA LEU A 9 0.028 3.052 7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.747 3.163 10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.784 1.427 9.907 1.00 0.00 H new ATOM 0 HG LEU A 9 1.638 1.507 10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.883 3.287 12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.831 3.944 10.967 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.397 4.057 12.015 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.661 1.219 13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.872 1.909 12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.282 0.366 11.932 1.00 0.00 H new ATOM 154 N GLU A 10 2.940 2.425 9.409 1.00 0.00 N ATOM 155 CA GLU A 10 4.258 2.977 9.687 1.00 0.00 C ATOM 156 C GLU A 10 4.944 3.424 8.403 1.00 0.00 C ATOM 157 O GLU A 10 5.708 4.389 8.393 1.00 0.00 O ATOM 158 CB GLU A 10 5.125 1.942 10.404 1.00 0.00 C ATOM 159 CG GLU A 10 5.265 0.639 9.637 1.00 0.00 C ATOM 160 CD GLU A 10 6.330 -0.270 10.220 1.00 0.00 C ATOM 161 OE1 GLU A 10 6.400 -0.381 11.462 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.092 -0.872 9.435 1.00 0.00 O ATOM 0 H GLU A 10 2.846 1.433 9.627 1.00 0.00 H new ATOM 0 HA GLU A 10 4.130 3.847 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.116 2.364 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.695 1.734 11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.308 0.117 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.509 0.858 8.597 1.00 0.00 H new ATOM 169 N VAL A 11 4.671 2.705 7.325 1.00 0.00 N ATOM 170 CA VAL A 11 5.265 3.007 6.029 1.00 0.00 C ATOM 171 C VAL A 11 4.938 4.420 5.573 1.00 0.00 C ATOM 172 O VAL A 11 5.832 5.208 5.264 1.00 0.00 O ATOM 173 CB VAL A 11 4.794 2.020 4.962 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.300 2.430 3.589 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.233 0.605 5.304 1.00 0.00 C ATOM 0 H VAL A 11 4.039 1.904 7.321 1.00 0.00 H new ATOM 0 HA VAL A 11 6.344 2.919 6.155 1.00 0.00 H new ATOM 0 HB VAL A 11 3.704 2.037 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.953 1.714 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.921 3.422 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.390 2.449 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.887 -0.080 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.321 0.566 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.807 0.314 6.264 1.00 0.00 H new ATOM 185 N VAL A 12 3.655 4.732 5.529 1.00 0.00 N ATOM 186 CA VAL A 12 3.201 6.051 5.106 1.00 0.00 C ATOM 187 C VAL A 12 3.605 7.124 6.111 1.00 0.00 C ATOM 188 O VAL A 12 4.158 8.161 5.742 1.00 0.00 O ATOM 189 CB VAL A 12 1.671 6.087 4.923 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.193 4.856 4.169 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.976 6.197 6.272 1.00 0.00 C ATOM 0 H VAL A 12 2.904 4.089 5.781 1.00 0.00 H new ATOM 0 HA VAL A 12 3.681 6.256 4.149 1.00 0.00 H new ATOM 0 HB VAL A 12 1.415 6.967 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.110 4.900 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.665 4.825 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.460 3.960 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.104 6.221 6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.239 5.337 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.294 7.112 6.772 1.00 0.00 H new ATOM 201 N LYS A 13 3.324 6.868 7.384 1.00 0.00 N ATOM 202 CA LYS A 13 3.655 7.811 8.444 1.00 0.00 C ATOM 203 C LYS A 13 5.131 8.190 8.400 1.00 0.00 C ATOM 204 O LYS A 13 5.481 9.369 8.444 1.00 0.00 O ATOM 205 CB LYS A 13 3.312 7.214 9.809 1.00 0.00 C ATOM 206 CG LYS A 13 4.333 6.203 10.303 1.00 0.00 C ATOM 207 CD LYS A 13 3.905 5.579 11.621 1.00 0.00 C ATOM 208 CE LYS A 13 3.768 6.627 12.714 1.00 0.00 C ATOM 209 NZ LYS A 13 4.828 6.491 13.750 1.00 0.00 N ATOM 0 H LYS A 13 2.868 6.015 7.706 1.00 0.00 H new ATOM 0 HA LYS A 13 3.064 8.714 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.228 8.020 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.335 6.733 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.464 5.421 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.300 6.691 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.954 5.063 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.635 4.829 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.819 7.622 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.788 6.536 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.699 7.224 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.764 5.551 14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.762 6.603 13.307 1.00 0.00 H new ATOM 223 N ASN A 14 5.995 7.182 8.318 1.00 0.00 N ATOM 224 CA ASN A 14 7.429 7.411 8.274 1.00 0.00 C ATOM 225 C ASN A 14 7.894 7.716 6.854 1.00 0.00 C ATOM 226 O ASN A 14 9.072 7.992 6.624 1.00 0.00 O ATOM 227 CB ASN A 14 8.179 6.191 8.816 1.00 0.00 C ATOM 228 CG ASN A 14 7.607 5.697 10.130 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.619 6.409 11.134 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.100 4.469 10.129 1.00 0.00 N ATOM 0 H ASN A 14 5.723 6.200 8.281 1.00 0.00 H new ATOM 0 HA ASN A 14 7.649 8.275 8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.139 5.387 8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.230 6.446 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.700 4.082 10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.111 3.913 9.274 1.00 0.00 H new ATOM 237 N PHE A 15 6.965 7.667 5.906 1.00 0.00 N ATOM 238 CA PHE A 15 7.284 7.943 4.513 1.00 0.00 C ATOM 239 C PHE A 15 7.585 9.424 4.316 1.00 0.00 C ATOM 240 O PHE A 15 8.269 9.810 3.368 1.00 0.00 O ATOM 241 CB PHE A 15 6.130 7.517 3.605 1.00 0.00 C ATOM 242 CG PHE A 15 6.385 6.229 2.875 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.413 5.386 3.266 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.596 5.861 1.796 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.650 4.201 2.595 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.828 4.678 1.122 1.00 0.00 C ATOM 247 CZ PHE A 15 6.857 3.847 1.522 1.00 0.00 C ATOM 0 H PHE A 15 5.986 7.439 6.078 1.00 0.00 H new ATOM 0 HA PHE A 15 8.171 7.368 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.226 7.412 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.940 8.306 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.036 5.658 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.791 6.507 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.455 3.553 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.206 4.403 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.041 2.922 0.996 1.00 0.00 H new ATOM 257 N GLU A 16 7.067 10.245 5.222 1.00 0.00 N ATOM 258 CA GLU A 16 7.275 11.687 5.160 1.00 0.00 C ATOM 259 C GLU A 16 6.030 12.393 4.636 1.00 0.00 C ATOM 260 O GLU A 16 5.953 13.621 4.636 1.00 0.00 O ATOM 261 CB GLU A 16 8.475 12.015 4.269 1.00 0.00 C ATOM 262 CG GLU A 16 8.117 12.181 2.804 1.00 0.00 C ATOM 263 CD GLU A 16 8.438 13.567 2.278 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.317 14.235 2.863 1.00 0.00 O ATOM 265 OE2 GLU A 16 7.812 13.984 1.281 1.00 0.00 O ATOM 0 H GLU A 16 6.498 9.936 6.010 1.00 0.00 H new ATOM 0 HA GLU A 16 7.475 12.043 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.942 12.933 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.216 11.222 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.657 11.439 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.054 11.982 2.669 1.00 0.00 H new ATOM 272 N LYS A 17 5.055 11.607 4.191 1.00 0.00 N ATOM 273 CA LYS A 17 3.812 12.155 3.665 1.00 0.00 C ATOM 274 C LYS A 17 3.063 12.933 4.741 1.00 0.00 C ATOM 275 O LYS A 17 2.440 13.958 4.459 1.00 0.00 O ATOM 276 CB LYS A 17 2.927 11.033 3.119 1.00 0.00 C ATOM 277 CG LYS A 17 3.286 10.608 1.706 1.00 0.00 C ATOM 278 CD LYS A 17 4.493 9.683 1.692 1.00 0.00 C ATOM 279 CE LYS A 17 5.793 10.464 1.800 1.00 0.00 C ATOM 280 NZ LYS A 17 6.630 10.320 0.577 1.00 0.00 N ATOM 0 H LYS A 17 5.103 10.588 4.185 1.00 0.00 H new ATOM 0 HA LYS A 17 4.059 12.840 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.002 10.169 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.887 11.360 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.434 10.104 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.496 11.491 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.421 8.977 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.494 9.098 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.571 11.518 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.354 10.116 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.532 9.867 0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.128 9.734 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.815 11.259 0.170 1.00 0.00 H new ATOM 294 N VAL A 18 3.124 12.440 5.974 1.00 0.00 N ATOM 295 CA VAL A 18 2.449 13.091 7.089 1.00 0.00 C ATOM 296 C VAL A 18 2.592 12.277 8.371 1.00 0.00 C ATOM 297 O VAL A 18 2.573 11.046 8.342 1.00 0.00 O ATOM 298 CB VAL A 18 0.952 13.302 6.794 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.696 14.723 6.318 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.464 12.292 5.767 1.00 0.00 C ATOM 0 H VAL A 18 3.634 11.593 6.225 1.00 0.00 H new ATOM 0 HA VAL A 18 2.926 14.062 7.223 1.00 0.00 H new ATOM 0 HB VAL A 18 0.393 13.147 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.367 14.853 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.006 15.427 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.265 14.910 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.596 12.456 5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.027 12.413 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.610 11.283 6.152 1.00 0.00 H new ATOM 310 N ASP A 19 2.734 12.973 9.495 1.00 0.00 N ATOM 311 CA ASP A 19 2.879 12.316 10.787 1.00 0.00 C ATOM 312 C ASP A 19 1.605 11.569 11.164 1.00 0.00 C ATOM 313 O ASP A 19 0.503 12.108 11.059 1.00 0.00 O ATOM 314 CB ASP A 19 3.221 13.343 11.869 1.00 0.00 C ATOM 315 CG ASP A 19 4.358 12.884 12.761 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.203 11.841 13.430 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.402 13.569 12.791 1.00 0.00 O ATOM 0 H ASP A 19 2.752 13.992 9.536 1.00 0.00 H new ATOM 0 HA ASP A 19 3.692 11.594 10.710 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.491 14.288 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.338 13.532 12.479 1.00 0.00 H new ATOM 322 N ALA A 20 1.761 10.324 11.602 1.00 0.00 N ATOM 323 CA ALA A 20 0.623 9.503 11.994 1.00 0.00 C ATOM 324 C ALA A 20 -0.161 10.154 13.128 1.00 0.00 C ATOM 325 O ALA A 20 -1.304 9.784 13.398 1.00 0.00 O ATOM 326 CB ALA A 20 1.089 8.115 12.404 1.00 0.00 C ATOM 0 H ALA A 20 2.666 9.862 11.694 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.040 9.413 11.133 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.228 7.513 12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.598 7.640 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.776 8.196 13.247 1.00 0.00 H new ATOM 332 N SER A 21 0.461 11.125 13.789 1.00 0.00 N ATOM 333 CA SER A 21 -0.179 11.825 14.895 1.00 0.00 C ATOM 334 C SER A 21 -1.359 12.657 14.404 1.00 0.00 C ATOM 335 O SER A 21 -2.239 13.025 15.183 1.00 0.00 O ATOM 336 CB SER A 21 0.833 12.725 15.609 1.00 0.00 C ATOM 337 OG SER A 21 0.177 13.713 16.385 1.00 0.00 O ATOM 0 H SER A 21 1.406 11.444 13.578 1.00 0.00 H new ATOM 0 HA SER A 21 -0.552 11.079 15.597 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.474 12.120 16.251 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.480 13.205 14.874 1.00 0.00 H new ATOM 0 HG SER A 21 0.844 14.274 16.832 1.00 0.00 H new ATOM 343 N LYS A 22 -1.371 12.948 13.109 1.00 0.00 N ATOM 344 CA LYS A 22 -2.440 13.735 12.513 1.00 0.00 C ATOM 345 C LYS A 22 -3.520 12.832 11.926 1.00 0.00 C ATOM 346 O LYS A 22 -4.629 13.280 11.639 1.00 0.00 O ATOM 347 CB LYS A 22 -1.880 14.654 11.425 1.00 0.00 C ATOM 348 CG LYS A 22 -1.392 13.911 10.192 1.00 0.00 C ATOM 349 CD LYS A 22 -0.125 14.537 9.631 1.00 0.00 C ATOM 350 CE LYS A 22 0.060 15.963 10.125 1.00 0.00 C ATOM 351 NZ LYS A 22 1.068 16.704 9.318 1.00 0.00 N ATOM 0 H LYS A 22 -0.651 12.650 12.452 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.889 14.344 13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.652 15.365 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.055 15.233 11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.203 12.868 10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.171 13.917 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.737 13.936 9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.167 14.531 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.894 16.488 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.371 15.948 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.428 17.510 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.856 16.069 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.625 17.051 8.443 1.00 0.00 H new ATOM 365 N VAL A 23 -3.186 11.558 11.744 1.00 0.00 N ATOM 366 CA VAL A 23 -4.123 10.595 11.187 1.00 0.00 C ATOM 367 C VAL A 23 -5.143 10.146 12.228 1.00 0.00 C ATOM 368 O VAL A 23 -4.780 9.665 13.301 1.00 0.00 O ATOM 369 CB VAL A 23 -3.394 9.358 10.633 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.133 9.767 9.889 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.069 8.384 11.755 1.00 0.00 C ATOM 0 H VAL A 23 -2.271 11.171 11.975 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.642 11.099 10.372 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.055 8.856 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.632 8.878 9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.397 10.422 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.464 10.295 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.554 7.515 11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.428 8.874 12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.992 8.064 12.238 1.00 0.00 H new ATOM 381 N THR A 24 -6.420 10.301 11.899 1.00 0.00 N ATOM 382 CA THR A 24 -7.495 9.911 12.790 1.00 0.00 C ATOM 383 C THR A 24 -8.294 8.754 12.194 1.00 0.00 C ATOM 384 O THR A 24 -8.272 8.535 10.983 1.00 0.00 O ATOM 385 CB THR A 24 -8.412 11.104 13.073 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.837 11.101 14.423 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.648 11.131 12.201 1.00 0.00 C ATOM 0 H THR A 24 -6.733 10.698 11.013 1.00 0.00 H new ATOM 0 HA THR A 24 -7.058 9.577 13.731 1.00 0.00 H new ATOM 0 HB THR A 24 -7.813 11.987 12.850 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.420 11.872 14.584 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.253 12.002 12.454 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.353 11.186 11.153 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.230 10.224 12.367 1.00 0.00 H new ATOM 395 N PRO A 25 -9.009 7.995 13.039 1.00 0.00 N ATOM 396 CA PRO A 25 -9.814 6.855 12.587 1.00 0.00 C ATOM 397 C PRO A 25 -10.845 7.258 11.538 1.00 0.00 C ATOM 398 O PRO A 25 -11.132 6.501 10.610 1.00 0.00 O ATOM 399 CB PRO A 25 -10.511 6.365 13.864 1.00 0.00 C ATOM 400 CG PRO A 25 -10.368 7.481 14.846 1.00 0.00 C ATOM 401 CD PRO A 25 -9.090 8.184 14.493 1.00 0.00 C ATOM 0 HA PRO A 25 -9.200 6.092 12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.561 6.138 13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.049 5.451 14.238 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.217 8.163 14.788 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.334 7.100 15.867 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.121 9.240 14.763 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.233 7.748 15.006 1.00 0.00 H new ATOM 409 N GLU A 26 -11.394 8.458 11.686 1.00 0.00 N ATOM 410 CA GLU A 26 -12.384 8.969 10.752 1.00 0.00 C ATOM 411 C GLU A 26 -11.765 10.010 9.827 1.00 0.00 C ATOM 412 O GLU A 26 -12.473 10.731 9.123 1.00 0.00 O ATOM 413 CB GLU A 26 -13.567 9.576 11.508 1.00 0.00 C ATOM 414 CG GLU A 26 -14.906 8.955 11.144 1.00 0.00 C ATOM 415 CD GLU A 26 -14.924 8.392 9.736 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.059 9.186 8.781 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.802 7.158 9.588 1.00 0.00 O ATOM 0 H GLU A 26 -11.167 9.096 12.449 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.743 8.137 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.401 9.459 12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.606 10.646 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.138 8.160 11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.689 9.707 11.241 1.00 0.00 H new ATOM 424 N SER A 27 -10.438 10.089 9.841 1.00 0.00 N ATOM 425 CA SER A 27 -9.717 11.045 9.015 1.00 0.00 C ATOM 426 C SER A 27 -9.755 10.647 7.543 1.00 0.00 C ATOM 427 O SER A 27 -9.517 9.491 7.194 1.00 0.00 O ATOM 428 CB SER A 27 -8.265 11.158 9.483 1.00 0.00 C ATOM 429 OG SER A 27 -7.384 11.313 8.383 1.00 0.00 O ATOM 0 H SER A 27 -9.840 9.498 10.419 1.00 0.00 H new ATOM 0 HA SER A 27 -10.208 12.012 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.162 12.008 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.992 10.267 10.049 1.00 0.00 H new ATOM 0 HG SER A 27 -6.594 11.819 8.666 1.00 0.00 H new ATOM 435 N HIS A 28 -10.054 11.616 6.685 1.00 0.00 N ATOM 436 CA HIS A 28 -10.122 11.379 5.254 1.00 0.00 C ATOM 437 C HIS A 28 -8.725 11.368 4.642 1.00 0.00 C ATOM 438 O HIS A 28 -7.820 12.048 5.126 1.00 0.00 O ATOM 439 CB HIS A 28 -10.981 12.449 4.577 1.00 0.00 C ATOM 440 CG HIS A 28 -12.437 12.105 4.531 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.933 10.875 4.908 1.00 0.00 N ATOM 442 CD2 HIS A 28 -13.509 12.841 4.151 1.00 0.00 C ATOM 443 CE1 HIS A 28 -14.246 10.868 4.760 1.00 0.00 C ATOM 444 NE2 HIS A 28 -14.620 12.048 4.303 1.00 0.00 N ATOM 0 H HIS A 28 -10.254 12.577 6.961 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.580 10.403 5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.855 13.393 5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.620 12.604 3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.493 13.861 3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.902 10.038 4.976 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.579 12.326 4.096 1.00 0.00 H new ATOM 453 N PHE A 29 -8.551 10.589 3.581 1.00 0.00 N ATOM 454 CA PHE A 29 -7.261 10.491 2.912 1.00 0.00 C ATOM 455 C PHE A 29 -6.899 11.803 2.228 1.00 0.00 C ATOM 456 O PHE A 29 -6.252 12.669 2.819 1.00 0.00 O ATOM 457 CB PHE A 29 -7.280 9.354 1.887 1.00 0.00 C ATOM 458 CG PHE A 29 -5.935 9.068 1.281 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.776 9.529 1.884 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.831 8.337 0.108 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.538 9.266 1.328 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.595 8.072 -0.452 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.447 8.537 0.160 1.00 0.00 C ATOM 0 H PHE A 29 -9.287 10.017 3.166 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.504 10.278 3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.653 8.449 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.982 9.605 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.840 10.100 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.725 7.970 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.642 9.631 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.527 7.502 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.480 8.330 -0.275 1.00 0.00 H new ATOM 473 N VAL A 30 -7.319 11.942 0.980 1.00 0.00 N ATOM 474 CA VAL A 30 -7.041 13.147 0.207 1.00 0.00 C ATOM 475 C VAL A 30 -7.592 14.387 0.895 1.00 0.00 C ATOM 476 O VAL A 30 -7.036 15.479 0.779 1.00 0.00 O ATOM 477 CB VAL A 30 -7.632 13.054 -1.212 1.00 0.00 C ATOM 478 CG1 VAL A 30 -7.693 11.606 -1.673 1.00 0.00 C ATOM 479 CG2 VAL A 30 -9.011 13.695 -1.259 1.00 0.00 C ATOM 0 H VAL A 30 -7.855 11.234 0.478 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.956 13.230 0.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.979 13.600 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.113 11.561 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.688 11.184 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.321 11.033 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.413 13.620 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.675 13.180 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.934 14.745 -0.976 1.00 0.00 H new ATOM 489 N LYS A 31 -8.693 14.208 1.606 1.00 0.00 N ATOM 490 CA LYS A 31 -9.339 15.305 2.315 1.00 0.00 C ATOM 491 C LYS A 31 -8.512 15.761 3.515 1.00 0.00 C ATOM 492 O LYS A 31 -8.516 16.939 3.868 1.00 0.00 O ATOM 493 CB LYS A 31 -10.736 14.887 2.775 1.00 0.00 C ATOM 494 CG LYS A 31 -11.403 13.878 1.854 1.00 0.00 C ATOM 495 CD LYS A 31 -11.472 14.389 0.424 1.00 0.00 C ATOM 496 CE LYS A 31 -12.803 15.063 0.138 1.00 0.00 C ATOM 497 NZ LYS A 31 -12.708 16.546 0.236 1.00 0.00 N ATOM 0 H LYS A 31 -9.162 13.308 1.709 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.421 16.143 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.668 14.463 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.366 15.773 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.850 12.939 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.409 13.665 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.660 15.095 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.327 13.559 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.143 14.786 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.552 14.700 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.637 16.967 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.409 16.812 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.012 16.896 -0.453 1.00 0.00 H new ATOM 511 N ASP A 32 -7.813 14.821 4.145 1.00 0.00 N ATOM 512 CA ASP A 32 -6.997 15.132 5.308 1.00 0.00 C ATOM 513 C ASP A 32 -5.597 15.585 4.904 1.00 0.00 C ATOM 514 O ASP A 32 -4.767 15.886 5.760 1.00 0.00 O ATOM 515 CB ASP A 32 -6.904 13.917 6.233 1.00 0.00 C ATOM 516 CG ASP A 32 -6.256 14.252 7.562 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.006 15.449 7.817 1.00 0.00 O ATOM 518 OD2 ASP A 32 -5.996 13.316 8.348 1.00 0.00 O ATOM 0 H ASP A 32 -7.797 13.840 3.868 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.479 15.953 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.904 13.520 6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.331 13.131 5.740 1.00 0.00 H new ATOM 523 N LEU A 33 -5.346 15.634 3.598 1.00 0.00 N ATOM 524 CA LEU A 33 -4.046 16.054 3.078 1.00 0.00 C ATOM 525 C LEU A 33 -3.448 14.986 2.169 1.00 0.00 C ATOM 526 O LEU A 33 -2.231 14.811 2.118 1.00 0.00 O ATOM 527 CB LEU A 33 -3.078 16.358 4.226 1.00 0.00 C ATOM 528 CG LEU A 33 -3.368 17.649 4.993 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.811 17.566 6.406 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.784 18.847 4.259 1.00 0.00 C ATOM 0 H LEU A 33 -6.026 15.388 2.879 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.201 16.961 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.098 15.524 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.067 16.412 3.823 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.449 17.777 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.027 18.493 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.274 16.731 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.732 17.414 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.000 19.757 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.705 18.726 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.229 18.918 3.266 1.00 0.00 H new ATOM 542 N GLY A 34 -4.312 14.273 1.452 1.00 0.00 N ATOM 543 CA GLY A 34 -3.848 13.231 0.554 1.00 0.00 C ATOM 544 C GLY A 34 -2.366 13.333 0.258 1.00 0.00 C ATOM 545 O GLY A 34 -1.848 14.421 0.006 1.00 0.00 O ATOM 0 H GLY A 34 -5.324 14.398 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.060 12.257 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.406 13.287 -0.381 1.00 0.00 H new ATOM 549 N LEU A 35 -1.680 12.195 0.289 1.00 0.00 N ATOM 550 CA LEU A 35 -0.249 12.156 0.021 1.00 0.00 C ATOM 551 C LEU A 35 0.044 12.537 -1.426 1.00 0.00 C ATOM 552 O LEU A 35 -0.813 12.399 -2.300 1.00 0.00 O ATOM 553 CB LEU A 35 0.307 10.763 0.316 1.00 0.00 C ATOM 554 CG LEU A 35 0.067 10.257 1.740 1.00 0.00 C ATOM 555 CD1 LEU A 35 -0.782 11.246 2.521 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.594 8.887 1.712 1.00 0.00 C ATOM 0 H LEU A 35 -2.094 11.286 0.498 1.00 0.00 H new ATOM 0 HA LEU A 35 0.238 12.880 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.137 10.056 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.380 10.769 0.125 1.00 0.00 H new ATOM 0 HG LEU A 35 1.030 10.164 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.942 10.870 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.270 12.207 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.744 11.372 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.758 8.541 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.551 8.955 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.052 8.182 1.189 1.00 0.00 H new ATOM 568 N ASN A 36 1.259 13.015 -1.675 1.00 0.00 N ATOM 569 CA ASN A 36 1.662 13.411 -3.019 1.00 0.00 C ATOM 570 C ASN A 36 1.584 12.228 -3.978 1.00 0.00 C ATOM 571 O ASN A 36 1.241 11.115 -3.577 1.00 0.00 O ATOM 572 CB ASN A 36 3.082 13.978 -3.003 1.00 0.00 C ATOM 573 CG ASN A 36 3.971 13.286 -1.991 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.984 13.835 -1.554 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.596 12.071 -1.609 1.00 0.00 N ATOM 0 H ASN A 36 1.981 13.137 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 36 0.976 14.184 -3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.521 13.878 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.042 15.044 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.154 11.555 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.750 11.653 -1.996 1.00 0.00 H new ATOM 582 N SER A 37 1.904 12.472 -5.243 1.00 0.00 N ATOM 583 CA SER A 37 1.868 11.422 -6.254 1.00 0.00 C ATOM 584 C SER A 37 2.893 10.343 -5.943 1.00 0.00 C ATOM 585 O SER A 37 2.564 9.159 -5.855 1.00 0.00 O ATOM 586 CB SER A 37 2.133 12.009 -7.642 1.00 0.00 C ATOM 587 OG SER A 37 0.999 11.866 -8.482 1.00 0.00 O ATOM 0 H SER A 37 2.191 13.386 -5.593 1.00 0.00 H new ATOM 0 HA SER A 37 0.875 10.973 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.391 13.064 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.990 11.509 -8.094 1.00 0.00 H new ATOM 0 HG SER A 37 1.193 12.250 -9.362 1.00 0.00 H new ATOM 592 N LEU A 38 4.133 10.768 -5.776 1.00 0.00 N ATOM 593 CA LEU A 38 5.228 9.855 -5.471 1.00 0.00 C ATOM 594 C LEU A 38 4.858 8.924 -4.326 1.00 0.00 C ATOM 595 O LEU A 38 5.428 7.844 -4.180 1.00 0.00 O ATOM 596 CB LEU A 38 6.488 10.643 -5.109 1.00 0.00 C ATOM 597 CG LEU A 38 6.394 11.481 -3.830 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.487 12.682 -4.046 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.897 10.641 -2.663 1.00 0.00 C ATOM 0 H LEU A 38 4.411 11.747 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 38 5.422 9.253 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.317 9.943 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.733 11.305 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 38 7.394 11.840 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.432 13.266 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.889 13.302 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.489 12.340 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.840 11.260 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.908 10.245 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.587 9.815 -2.489 1.00 0.00 H new ATOM 611 N ASP A 39 3.909 9.358 -3.511 1.00 0.00 N ATOM 612 CA ASP A 39 3.469 8.570 -2.369 1.00 0.00 C ATOM 613 C ASP A 39 2.620 7.388 -2.816 1.00 0.00 C ATOM 614 O ASP A 39 3.143 6.340 -3.194 1.00 0.00 O ATOM 615 CB ASP A 39 2.675 9.442 -1.395 1.00 0.00 C ATOM 616 CG ASP A 39 1.853 8.616 -0.423 1.00 0.00 C ATOM 617 OD1 ASP A 39 2.390 8.246 0.642 1.00 0.00 O ATOM 618 OD2 ASP A 39 0.675 8.338 -0.728 1.00 0.00 O ATOM 0 H ASP A 39 3.429 10.251 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 39 4.355 8.186 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.362 10.078 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.014 10.102 -1.957 1.00 0.00 H new ATOM 623 N VAL A 40 1.306 7.569 -2.767 1.00 0.00 N ATOM 624 CA VAL A 40 0.372 6.523 -3.162 1.00 0.00 C ATOM 625 C VAL A 40 0.996 5.581 -4.186 1.00 0.00 C ATOM 626 O VAL A 40 0.698 4.389 -4.204 1.00 0.00 O ATOM 627 CB VAL A 40 -0.923 7.117 -3.747 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.946 6.966 -5.260 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.141 6.455 -3.120 1.00 0.00 C ATOM 0 H VAL A 40 0.862 8.433 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 40 0.130 5.961 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.952 8.181 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.869 7.392 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.092 7.489 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.894 5.909 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.048 6.886 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.118 5.384 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.130 6.620 -2.043 1.00 0.00 H new ATOM 639 N VAL A 41 1.859 6.122 -5.040 1.00 0.00 N ATOM 640 CA VAL A 41 2.517 5.324 -6.064 1.00 0.00 C ATOM 641 C VAL A 41 3.516 4.350 -5.449 1.00 0.00 C ATOM 642 O VAL A 41 3.549 3.170 -5.803 1.00 0.00 O ATOM 643 CB VAL A 41 3.249 6.211 -7.088 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.253 6.956 -7.963 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.182 7.181 -6.384 1.00 0.00 C ATOM 0 H VAL A 41 2.118 7.109 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 41 1.734 4.763 -6.574 1.00 0.00 H new ATOM 0 HB VAL A 41 3.849 5.568 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.791 7.577 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.632 6.239 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.621 7.587 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.690 7.799 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.606 7.818 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.921 6.623 -5.809 1.00 0.00 H new ATOM 655 N GLU A 42 4.333 4.849 -4.527 1.00 0.00 N ATOM 656 CA GLU A 42 5.331 4.025 -3.866 1.00 0.00 C ATOM 657 C GLU A 42 4.688 3.141 -2.809 1.00 0.00 C ATOM 658 O GLU A 42 4.934 1.935 -2.752 1.00 0.00 O ATOM 659 CB GLU A 42 6.410 4.902 -3.229 1.00 0.00 C ATOM 660 CG GLU A 42 6.352 4.933 -1.712 1.00 0.00 C ATOM 661 CD GLU A 42 6.758 3.613 -1.086 1.00 0.00 C ATOM 662 OE1 GLU A 42 7.976 3.357 -0.978 1.00 0.00 O ATOM 663 OE2 GLU A 42 5.859 2.834 -0.705 1.00 0.00 O ATOM 0 H GLU A 42 4.321 5.822 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 42 5.793 3.385 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.390 4.540 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.311 5.919 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.007 5.722 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.340 5.185 -1.396 1.00 0.00 H new ATOM 670 N VAL A 43 3.861 3.752 -1.978 1.00 0.00 N ATOM 671 CA VAL A 43 3.170 3.033 -0.918 1.00 0.00 C ATOM 672 C VAL A 43 2.250 1.968 -1.496 1.00 0.00 C ATOM 673 O VAL A 43 2.142 0.866 -0.958 1.00 0.00 O ATOM 674 CB VAL A 43 2.347 3.986 -0.033 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.009 5.263 -0.787 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.090 3.299 0.459 1.00 0.00 C ATOM 0 H VAL A 43 3.650 4.749 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 43 3.935 2.557 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 43 2.949 4.257 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.427 5.922 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.930 5.765 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.427 5.018 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.520 3.987 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.483 2.996 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.361 2.419 1.043 1.00 0.00 H new ATOM 686 N VAL A 44 1.597 2.305 -2.598 1.00 0.00 N ATOM 687 CA VAL A 44 0.690 1.376 -3.260 1.00 0.00 C ATOM 688 C VAL A 44 1.436 0.121 -3.690 1.00 0.00 C ATOM 689 O VAL A 44 0.992 -0.997 -3.432 1.00 0.00 O ATOM 690 CB VAL A 44 0.020 2.011 -4.491 1.00 0.00 C ATOM 691 CG1 VAL A 44 1.063 2.429 -5.513 1.00 0.00 C ATOM 692 CG2 VAL A 44 -0.984 1.048 -5.107 1.00 0.00 C ATOM 0 H VAL A 44 1.677 3.214 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.086 1.117 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.516 2.904 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.569 2.876 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.740 3.157 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.630 1.555 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.448 1.513 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.472 0.136 -5.414 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.752 0.804 -4.373 1.00 0.00 H new ATOM 702 N PHE A 45 2.581 0.315 -4.339 1.00 0.00 N ATOM 703 CA PHE A 45 3.393 -0.805 -4.791 1.00 0.00 C ATOM 704 C PHE A 45 3.855 -1.630 -3.598 1.00 0.00 C ATOM 705 O PHE A 45 4.175 -2.811 -3.729 1.00 0.00 O ATOM 706 CB PHE A 45 4.601 -0.302 -5.584 1.00 0.00 C ATOM 707 CG PHE A 45 4.231 0.454 -6.828 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.087 0.127 -7.538 1.00 0.00 C ATOM 709 CD2 PHE A 45 5.028 1.490 -7.287 1.00 0.00 C ATOM 710 CE1 PHE A 45 2.743 0.821 -8.683 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.689 2.187 -8.432 1.00 0.00 C ATOM 712 CZ PHE A 45 3.546 1.852 -9.130 1.00 0.00 C ATOM 0 H PHE A 45 2.964 1.234 -4.562 1.00 0.00 H new ATOM 0 HA PHE A 45 2.787 -1.435 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.203 0.342 -4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.225 -1.153 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.457 -0.679 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.923 1.756 -6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.848 0.557 -9.227 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.318 2.993 -8.780 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.280 2.396 -10.025 1.00 0.00 H new ATOM 722 N ALA A 46 3.880 -0.994 -2.432 1.00 0.00 N ATOM 723 CA ALA A 46 4.293 -1.657 -1.205 1.00 0.00 C ATOM 724 C ALA A 46 3.255 -2.679 -0.767 1.00 0.00 C ATOM 725 O ALA A 46 3.446 -3.887 -0.920 1.00 0.00 O ATOM 726 CB ALA A 46 4.527 -0.633 -0.105 1.00 0.00 C ATOM 0 H ALA A 46 3.617 -0.016 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 46 5.228 -2.183 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.836 -1.143 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.308 0.061 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.605 -0.082 0.081 1.00 0.00 H new ATOM 732 N ILE A 47 2.156 -2.183 -0.222 1.00 0.00 N ATOM 733 CA ILE A 47 1.075 -3.042 0.243 1.00 0.00 C ATOM 734 C ILE A 47 0.801 -4.163 -0.751 1.00 0.00 C ATOM 735 O ILE A 47 0.626 -5.318 -0.365 1.00 0.00 O ATOM 736 CB ILE A 47 -0.224 -2.245 0.472 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.213 -0.952 -0.346 1.00 0.00 C ATOM 738 CG2 ILE A 47 -0.402 -1.937 1.951 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.146 0.300 0.500 1.00 0.00 C ATOM 0 H ILE A 47 1.987 -1.186 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 47 1.399 -3.469 1.192 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.065 -2.854 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.640 -0.968 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.110 -0.915 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.324 -1.374 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.454 -2.869 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.444 -1.347 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.142 1.177 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.013 0.340 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.765 0.286 1.098 1.00 0.00 H new ATOM 751 N GLU A 48 0.772 -3.823 -2.033 1.00 0.00 N ATOM 752 CA GLU A 48 0.523 -4.816 -3.070 1.00 0.00 C ATOM 753 C GLU A 48 1.523 -5.957 -2.955 1.00 0.00 C ATOM 754 O GLU A 48 1.192 -7.120 -3.193 1.00 0.00 O ATOM 755 CB GLU A 48 0.611 -4.176 -4.457 1.00 0.00 C ATOM 756 CG GLU A 48 0.223 -5.116 -5.587 1.00 0.00 C ATOM 757 CD GLU A 48 1.414 -5.854 -6.167 1.00 0.00 C ATOM 758 OE1 GLU A 48 2.549 -5.596 -5.714 1.00 0.00 O ATOM 759 OE2 GLU A 48 1.211 -6.688 -7.073 1.00 0.00 O ATOM 0 H GLU A 48 0.917 -2.874 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.483 -5.213 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.037 -3.300 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.629 -3.824 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.504 -5.840 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.266 -4.546 -6.377 1.00 0.00 H new ATOM 766 N GLN A 49 2.744 -5.611 -2.578 1.00 0.00 N ATOM 767 CA GLN A 49 3.804 -6.595 -2.416 1.00 0.00 C ATOM 768 C GLN A 49 3.457 -7.584 -1.308 1.00 0.00 C ATOM 769 O GLN A 49 3.527 -8.797 -1.503 1.00 0.00 O ATOM 770 CB GLN A 49 5.130 -5.901 -2.100 1.00 0.00 C ATOM 771 CG GLN A 49 6.350 -6.765 -2.376 1.00 0.00 C ATOM 772 CD GLN A 49 7.265 -6.164 -3.425 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.894 -6.882 -4.201 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.344 -4.839 -3.451 1.00 0.00 N ATOM 0 H GLN A 49 3.027 -4.652 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 49 3.905 -7.144 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.202 -4.987 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.135 -5.605 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.908 -6.906 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.025 -7.752 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.804 -4.283 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.945 -4.377 -4.134 1.00 0.00 H new ATOM 783 N GLU A 50 3.084 -7.060 -0.143 1.00 0.00 N ATOM 784 CA GLU A 50 2.732 -7.901 0.986 1.00 0.00 C ATOM 785 C GLU A 50 1.218 -8.009 1.147 1.00 0.00 C ATOM 786 O GLU A 50 0.706 -8.086 2.264 1.00 0.00 O ATOM 787 CB GLU A 50 3.353 -7.351 2.272 1.00 0.00 C ATOM 788 CG GLU A 50 4.673 -8.007 2.642 1.00 0.00 C ATOM 789 CD GLU A 50 4.819 -9.398 2.055 1.00 0.00 C ATOM 790 OE1 GLU A 50 3.875 -10.203 2.194 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.876 -9.680 1.454 1.00 0.00 O ATOM 0 H GLU A 50 3.019 -6.058 0.039 1.00 0.00 H new ATOM 0 HA GLU A 50 3.127 -8.899 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.510 -6.278 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.648 -7.486 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.495 -7.382 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.754 -8.065 3.727 1.00 0.00 H new ATOM 798 N PHE A 51 0.507 -8.017 0.024 1.00 0.00 N ATOM 799 CA PHE A 51 -0.942 -8.119 0.039 1.00 0.00 C ATOM 800 C PHE A 51 -1.459 -9.078 -1.039 1.00 0.00 C ATOM 801 O PHE A 51 -2.605 -9.513 -0.978 1.00 0.00 O ATOM 802 CB PHE A 51 -1.580 -6.741 -0.144 1.00 0.00 C ATOM 803 CG PHE A 51 -1.660 -5.938 1.122 1.00 0.00 C ATOM 804 CD1 PHE A 51 -0.508 -5.551 1.788 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.888 -5.564 1.641 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.579 -4.806 2.944 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.966 -4.818 2.802 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.810 -4.438 3.455 1.00 0.00 C ATOM 0 H PHE A 51 0.915 -7.954 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.226 -8.522 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.007 -6.181 -0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.585 -6.867 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.457 -5.837 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.795 -5.858 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.327 -4.509 3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.929 -4.533 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.867 -3.855 4.362 1.00 0.00 H new ATOM 818 N ILE A 52 -0.604 -9.407 -2.011 1.00 0.00 N ATOM 819 CA ILE A 52 -0.962 -10.313 -3.102 1.00 0.00 C ATOM 820 C ILE A 52 -2.039 -9.727 -4.007 1.00 0.00 C ATOM 821 O ILE A 52 -2.768 -10.456 -4.681 1.00 0.00 O ATOM 822 CB ILE A 52 -1.454 -11.658 -2.549 1.00 0.00 C ATOM 823 CG1 ILE A 52 -2.962 -11.827 -2.764 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.113 -11.776 -1.072 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.786 -10.569 -2.564 1.00 0.00 C ATOM 0 H ILE A 52 0.352 -9.054 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.058 -10.461 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.946 -12.454 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.130 -12.195 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.327 -12.594 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.467 -12.734 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.033 -11.711 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.594 -10.967 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.839 -10.792 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.656 -10.207 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.456 -9.803 -3.265 1.00 0.00 H new ATOM 837 N LEU A 53 -2.120 -8.409 -4.028 1.00 0.00 N ATOM 838 CA LEU A 53 -3.093 -7.711 -4.854 1.00 0.00 C ATOM 839 C LEU A 53 -2.751 -6.229 -4.971 1.00 0.00 C ATOM 840 O LEU A 53 -2.422 -5.578 -3.980 1.00 0.00 O ATOM 841 CB LEU A 53 -4.501 -7.879 -4.277 1.00 0.00 C ATOM 842 CG LEU A 53 -5.606 -7.147 -5.041 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.703 -5.701 -4.582 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.352 -7.217 -6.540 1.00 0.00 C ATOM 0 H LEU A 53 -1.519 -7.795 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.062 -8.150 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.742 -8.942 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.499 -7.527 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.556 -7.638 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.494 -5.196 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.931 -5.672 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.754 -5.197 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.147 -6.691 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.394 -6.750 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.333 -8.260 -6.857 1.00 0.00 H new ATOM 856 N ASP A 54 -2.827 -5.705 -6.190 1.00 0.00 N ATOM 857 CA ASP A 54 -2.524 -4.307 -6.442 1.00 0.00 C ATOM 858 C ASP A 54 -3.764 -3.437 -6.264 1.00 0.00 C ATOM 859 O ASP A 54 -4.884 -3.876 -6.520 1.00 0.00 O ATOM 860 CB ASP A 54 -1.960 -4.131 -7.853 1.00 0.00 C ATOM 861 CG ASP A 54 -3.050 -3.963 -8.894 1.00 0.00 C ATOM 862 OD1 ASP A 54 -4.226 -4.230 -8.571 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.726 -3.563 -10.032 1.00 0.00 O ATOM 0 H ASP A 54 -3.097 -6.233 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.775 -3.989 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.304 -3.260 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.348 -4.997 -8.108 1.00 0.00 H new ATOM 868 N ILE A 55 -3.556 -2.200 -5.824 1.00 0.00 N ATOM 869 CA ILE A 55 -4.651 -1.271 -5.613 1.00 0.00 C ATOM 870 C ILE A 55 -4.259 0.149 -6.015 1.00 0.00 C ATOM 871 O ILE A 55 -4.703 1.122 -5.406 1.00 0.00 O ATOM 872 CB ILE A 55 -5.105 -1.271 -4.141 1.00 0.00 C ATOM 873 CG1 ILE A 55 -6.587 -0.912 -4.041 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.261 -0.304 -3.325 1.00 0.00 C ATOM 875 CD1 ILE A 55 -6.836 0.562 -3.801 1.00 0.00 C ATOM 0 H ILE A 55 -2.634 -1.821 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.476 -1.605 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.967 -2.273 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.088 -1.212 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.038 -1.485 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.595 -0.316 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.214 -0.605 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.368 0.703 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.909 0.745 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.364 0.863 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.415 1.141 -4.623 1.00 0.00 H new ATOM 887 N PRO A 56 -3.414 0.282 -7.049 1.00 0.00 N ATOM 888 CA PRO A 56 -2.956 1.585 -7.532 1.00 0.00 C ATOM 889 C PRO A 56 -3.998 2.298 -8.390 1.00 0.00 C ATOM 890 O PRO A 56 -4.561 3.315 -7.982 1.00 0.00 O ATOM 891 CB PRO A 56 -1.728 1.230 -8.369 1.00 0.00 C ATOM 892 CG PRO A 56 -1.988 -0.151 -8.866 1.00 0.00 C ATOM 893 CD PRO A 56 -2.837 -0.832 -7.822 1.00 0.00 C ATOM 0 HA PRO A 56 -2.754 2.274 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.598 1.929 -9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.818 1.270 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.501 -0.127 -9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.053 -0.691 -9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.614 -1.446 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.241 -1.490 -7.190 1.00 0.00 H new ATOM 901 N ASP A 57 -4.245 1.762 -9.581 1.00 0.00 N ATOM 902 CA ASP A 57 -5.212 2.346 -10.503 1.00 0.00 C ATOM 903 C ASP A 57 -6.506 2.725 -9.788 1.00 0.00 C ATOM 904 O ASP A 57 -6.541 2.850 -8.564 1.00 0.00 O ATOM 905 CB ASP A 57 -5.516 1.370 -11.641 1.00 0.00 C ATOM 906 CG ASP A 57 -4.996 -0.026 -11.359 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.377 -0.602 -10.318 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.208 -0.544 -12.178 1.00 0.00 O ATOM 0 H ASP A 57 -3.787 0.921 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.771 3.255 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.593 1.328 -11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.070 1.741 -12.564 1.00 0.00 H new ATOM 913 N HIS A 58 -7.568 2.909 -10.566 1.00 0.00 N ATOM 914 CA HIS A 58 -8.869 3.276 -10.018 1.00 0.00 C ATOM 915 C HIS A 58 -9.095 2.639 -8.651 1.00 0.00 C ATOM 916 O HIS A 58 -9.899 3.124 -7.856 1.00 0.00 O ATOM 917 CB HIS A 58 -9.985 2.855 -10.977 1.00 0.00 C ATOM 918 CG HIS A 58 -9.610 2.981 -12.422 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.004 2.074 -13.383 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.871 3.914 -13.068 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.523 2.443 -14.557 1.00 0.00 C ATOM 922 NE2 HIS A 58 -8.834 3.557 -14.393 1.00 0.00 N ATOM 0 H HIS A 58 -7.553 2.810 -11.581 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.886 4.359 -9.897 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.260 1.821 -10.770 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.868 3.464 -10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.399 4.778 -12.624 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.669 1.922 -15.492 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.352 4.070 -15.131 1.00 0.00 H new ATOM 931 N ASP A 59 -8.384 1.549 -8.380 1.00 0.00 N ATOM 932 CA ASP A 59 -8.514 0.851 -7.108 1.00 0.00 C ATOM 933 C ASP A 59 -8.159 1.767 -5.941 1.00 0.00 C ATOM 934 O ASP A 59 -8.865 1.806 -4.934 1.00 0.00 O ATOM 935 CB ASP A 59 -7.619 -0.389 -7.089 1.00 0.00 C ATOM 936 CG ASP A 59 -8.369 -1.638 -6.669 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.608 -1.667 -6.825 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.718 -2.586 -6.184 1.00 0.00 O ATOM 0 H ASP A 59 -7.713 1.131 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.554 0.543 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.193 -0.541 -8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.786 -0.222 -6.406 1.00 0.00 H new ATOM 943 N ALA A 60 -7.058 2.502 -6.080 1.00 0.00 N ATOM 944 CA ALA A 60 -6.613 3.411 -5.034 1.00 0.00 C ATOM 945 C ALA A 60 -7.250 4.787 -5.187 1.00 0.00 C ATOM 946 O ALA A 60 -7.337 5.553 -4.227 1.00 0.00 O ATOM 947 CB ALA A 60 -5.095 3.525 -5.044 1.00 0.00 C ATOM 0 H ALA A 60 -6.460 2.484 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.931 3.001 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.776 4.208 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.655 2.543 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.765 3.906 -6.010 1.00 0.00 H new ATOM 953 N GLU A 61 -7.689 5.097 -6.401 1.00 0.00 N ATOM 954 CA GLU A 61 -8.314 6.382 -6.684 1.00 0.00 C ATOM 955 C GLU A 61 -9.752 6.420 -6.176 1.00 0.00 C ATOM 956 O GLU A 61 -10.278 7.483 -5.849 1.00 0.00 O ATOM 957 CB GLU A 61 -8.284 6.667 -8.186 1.00 0.00 C ATOM 958 CG GLU A 61 -7.081 7.485 -8.627 1.00 0.00 C ATOM 959 CD GLU A 61 -7.364 8.322 -9.859 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.525 7.736 -10.950 1.00 0.00 O ATOM 961 OE2 GLU A 61 -7.427 9.563 -9.732 1.00 0.00 O ATOM 0 H GLU A 61 -7.623 4.474 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.747 7.152 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.287 5.721 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.195 7.197 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.772 8.139 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.246 6.815 -8.832 1.00 0.00 H new ATOM 968 N LYS A 62 -10.384 5.252 -6.117 1.00 0.00 N ATOM 969 CA LYS A 62 -11.763 5.151 -5.656 1.00 0.00 C ATOM 970 C LYS A 62 -11.853 5.352 -4.147 1.00 0.00 C ATOM 971 O LYS A 62 -12.945 5.370 -3.578 1.00 0.00 O ATOM 972 CB LYS A 62 -12.350 3.792 -6.037 1.00 0.00 C ATOM 973 CG LYS A 62 -12.820 3.715 -7.480 1.00 0.00 C ATOM 974 CD LYS A 62 -14.289 4.083 -7.608 1.00 0.00 C ATOM 975 CE LYS A 62 -14.490 5.589 -7.587 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.950 6.238 -8.814 1.00 0.00 N ATOM 0 H LYS A 62 -9.962 4.362 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.339 5.939 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.599 3.021 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.189 3.571 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.221 4.386 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.662 2.706 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.688 3.675 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.851 3.628 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.553 5.812 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.000 6.009 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.374 7.181 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.917 6.330 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.181 5.656 -9.645 1.00 0.00 H new ATOM 990 N ILE A 63 -10.702 5.502 -3.501 1.00 0.00 N ATOM 991 CA ILE A 63 -10.655 5.699 -2.062 1.00 0.00 C ATOM 992 C ILE A 63 -10.298 7.139 -1.711 1.00 0.00 C ATOM 993 O ILE A 63 -9.274 7.661 -2.154 1.00 0.00 O ATOM 994 CB ILE A 63 -9.643 4.751 -1.395 1.00 0.00 C ATOM 995 CG1 ILE A 63 -10.185 4.256 -0.056 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.304 5.448 -1.208 1.00 0.00 C ATOM 997 CD1 ILE A 63 -10.403 2.759 -0.010 1.00 0.00 C ATOM 0 H ILE A 63 -9.789 5.490 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.652 5.475 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.491 3.890 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.490 4.539 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -11.129 4.759 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.600 4.763 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.915 5.755 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.436 6.326 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.789 2.477 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.121 2.472 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.457 2.248 -0.188 1.00 0.00 H new ATOM 1009 N GLN A 64 -11.149 7.776 -0.913 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.929 9.148 -0.503 1.00 0.00 C ATOM 1011 C GLN A 64 -10.774 9.252 1.012 1.00 0.00 C ATOM 1012 O GLN A 64 -10.439 10.312 1.539 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.081 10.037 -0.974 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.517 9.761 -2.404 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.854 9.050 -2.479 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.886 9.671 -2.731 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.840 7.741 -2.259 1.00 0.00 N ATOM 0 H GLN A 64 -12.000 7.357 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.003 9.491 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.933 9.896 -0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.781 11.081 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.579 10.703 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.759 9.155 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.960 7.268 -2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.709 7.208 -2.295 1.00 0.00 H new ATOM 1026 N SER A 65 -11.023 8.145 1.706 1.00 0.00 N ATOM 1027 CA SER A 65 -10.913 8.115 3.160 1.00 0.00 C ATOM 1028 C SER A 65 -9.716 7.277 3.601 1.00 0.00 C ATOM 1029 O SER A 65 -9.353 6.301 2.945 1.00 0.00 O ATOM 1030 CB SER A 65 -12.195 7.556 3.778 1.00 0.00 C ATOM 1031 OG SER A 65 -13.281 7.648 2.871 1.00 0.00 O ATOM 0 H SER A 65 -11.302 7.259 1.285 1.00 0.00 H new ATOM 0 HA SER A 65 -10.765 9.137 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.042 6.515 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.432 8.104 4.690 1.00 0.00 H new ATOM 0 HG SER A 65 -14.088 7.283 3.289 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.107 7.667 4.716 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.952 6.956 5.247 1.00 0.00 C ATOM 1039 C ILE A 66 -8.327 5.547 5.694 1.00 0.00 C ATOM 1040 O ILE A 66 -7.641 4.577 5.369 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.326 7.707 6.438 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.308 9.213 6.169 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.919 7.195 6.706 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.965 9.727 5.698 1.00 0.00 C ATOM 0 H ILE A 66 -9.396 8.474 5.270 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.223 6.897 4.439 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.934 7.523 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.062 9.449 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.590 9.740 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.490 7.735 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.957 6.131 6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.300 7.352 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.026 10.802 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.210 9.523 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.689 9.227 4.769 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.429 5.415 6.450 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.899 4.118 6.946 1.00 0.00 C ATOM 1058 C PRO A 67 -10.245 3.159 5.813 1.00 0.00 C ATOM 1059 O PRO A 67 -9.521 2.198 5.559 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.154 4.466 7.756 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.567 5.816 7.275 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.301 6.519 6.880 1.00 0.00 C ATOM 0 HA PRO A 67 -9.133 3.608 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.943 3.732 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.942 4.476 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.250 5.737 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.091 6.366 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.471 7.235 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.870 7.072 7.714 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.353 3.429 5.132 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.789 2.589 4.023 1.00 0.00 C ATOM 1072 C ASP A 68 -10.601 2.169 3.166 1.00 0.00 C ATOM 1073 O ASP A 68 -10.650 1.154 2.471 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.817 3.329 3.166 1.00 0.00 C ATOM 1075 CG ASP A 68 -14.235 2.862 3.432 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.612 2.756 4.618 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.968 2.603 2.454 1.00 0.00 O ATOM 0 H ASP A 68 -11.965 4.221 5.328 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.253 1.694 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.747 4.399 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.581 3.182 2.112 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.536 2.959 3.222 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.331 2.678 2.453 1.00 0.00 C ATOM 1084 C ALA A 69 -7.646 1.412 2.946 1.00 0.00 C ATOM 1085 O ALA A 69 -7.664 0.376 2.278 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.375 3.860 2.524 1.00 0.00 C ATOM 0 H ALA A 69 -9.483 3.802 3.794 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.621 2.519 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.478 3.638 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.861 4.746 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.100 4.044 3.563 1.00 0.00 H new ATOM 1092 N VAL A 70 -7.045 1.507 4.120 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.349 0.377 4.716 1.00 0.00 C ATOM 1094 C VAL A 70 -7.327 -0.738 5.060 1.00 0.00 C ATOM 1095 O VAL A 70 -6.928 -1.880 5.293 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.588 0.790 5.989 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.376 0.404 7.231 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.202 0.162 6.011 1.00 0.00 C ATOM 0 H VAL A 70 -7.025 2.358 4.682 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.631 0.019 3.979 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.470 1.874 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.822 0.704 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.343 0.906 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.528 -0.675 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.679 0.465 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.294 -0.924 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.638 0.494 5.139 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.611 -0.399 5.086 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.652 -1.367 5.395 1.00 0.00 C ATOM 1110 C GLU A 71 -9.808 -2.373 4.260 1.00 0.00 C ATOM 1111 O GLU A 71 -9.934 -3.574 4.496 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.981 -0.654 5.650 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.147 -0.170 7.080 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.593 0.121 7.433 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -13.311 0.683 6.579 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -13.007 -0.212 8.563 1.00 0.00 O ATOM 0 H GLU A 71 -8.955 0.542 4.896 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.360 -1.905 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.062 0.198 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.800 -1.332 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.755 -0.924 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.553 0.732 7.226 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.800 -1.875 3.027 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.943 -2.733 1.860 1.00 0.00 C ATOM 1125 C TYR A 72 -8.711 -3.608 1.677 1.00 0.00 C ATOM 1126 O TYR A 72 -8.819 -4.818 1.480 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.195 -1.898 0.602 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.001 -1.088 0.153 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -7.892 -1.703 -0.412 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -8.985 0.295 0.289 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -6.801 -0.964 -0.826 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -7.898 1.040 -0.124 1.00 0.00 C ATOM 1133 CZ TYR A 72 -6.809 0.406 -0.680 1.00 0.00 C ATOM 1134 OH TYR A 72 -5.723 1.145 -1.092 1.00 0.00 O ATOM 0 H TYR A 72 -9.696 -0.883 2.812 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.804 -3.382 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -10.496 -2.562 -0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.030 -1.223 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.882 -2.777 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.837 0.796 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.945 -1.458 -1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.902 2.114 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.021 2.035 -1.375 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.542 -2.989 1.749 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.287 -3.716 1.598 1.00 0.00 C ATOM 1146 C ILE A 73 -6.097 -4.716 2.728 1.00 0.00 C ATOM 1147 O ILE A 73 -5.718 -5.864 2.503 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.066 -2.773 1.558 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.324 -1.514 2.392 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.715 -2.418 0.121 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.089 -0.221 1.642 1.00 0.00 C ATOM 0 H ILE A 73 -7.435 -1.988 1.911 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.351 -4.241 0.645 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.214 -3.292 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.353 -1.532 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.680 -1.535 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.852 -1.752 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.478 -3.328 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.563 -1.919 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.293 0.624 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.053 -0.178 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.752 -0.176 0.778 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.367 -4.267 3.943 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.231 -5.111 5.125 1.00 0.00 C ATOM 1165 C ALA A 74 -7.037 -6.394 4.978 1.00 0.00 C ATOM 1166 O ALA A 74 -6.602 -7.471 5.390 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.662 -4.353 6.371 1.00 0.00 C ATOM 0 H ALA A 74 -6.684 -3.318 4.140 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.180 -5.383 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.554 -4.997 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.037 -3.468 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.704 -4.050 6.270 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.214 -6.268 4.386 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.088 -7.408 4.182 1.00 0.00 C ATOM 1175 C GLN A 75 -8.626 -8.230 2.988 1.00 0.00 C ATOM 1176 O GLN A 75 -8.961 -9.408 2.863 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.531 -6.946 3.973 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.150 -6.310 5.207 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.456 -6.728 6.489 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.255 -7.916 6.740 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.086 -5.750 7.308 1.00 0.00 N ATOM 0 H GLN A 75 -8.585 -5.384 4.038 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.045 -8.033 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.559 -6.229 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.137 -7.800 3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.107 -5.225 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.204 -6.584 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.273 -4.779 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.615 -5.970 8.185 1.00 0.00 H new ATOM 1190 N ASN A 76 -7.838 -7.608 2.119 1.00 0.00 N ATOM 1191 CA ASN A 76 -7.317 -8.293 0.946 1.00 0.00 C ATOM 1192 C ASN A 76 -6.492 -9.503 1.372 1.00 0.00 C ATOM 1193 O ASN A 76 -6.897 -10.646 1.158 1.00 0.00 O ATOM 1194 CB ASN A 76 -6.474 -7.342 0.096 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.218 -6.849 -1.129 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -7.316 -7.551 -2.136 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -7.748 -5.634 -1.049 1.00 0.00 N ATOM 0 H ASN A 76 -7.548 -6.634 2.205 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.156 -8.635 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.172 -6.488 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.562 -7.850 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.261 -5.248 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.642 -5.087 -0.195 1.00 0.00 H new ATOM 1204 N PRO A 77 -5.327 -9.267 2.001 1.00 0.00 N ATOM 1205 CA PRO A 77 -4.452 -10.344 2.474 1.00 0.00 C ATOM 1206 C PRO A 77 -5.103 -11.146 3.594 1.00 0.00 C ATOM 1207 O PRO A 77 -4.816 -12.331 3.770 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.208 -9.613 3.000 1.00 0.00 C ATOM 1209 CG PRO A 77 -3.309 -8.222 2.470 1.00 0.00 C ATOM 1210 CD PRO A 77 -4.774 -7.944 2.311 1.00 0.00 C ATOM 0 HA PRO A 77 -4.228 -11.060 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.182 -9.617 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.294 -10.098 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.849 -7.510 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.789 -8.129 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.207 -7.528 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.965 -7.229 1.511 1.00 0.00 H new ATOM 1218 N MET A 78 -5.989 -10.495 4.344 1.00 0.00 N ATOM 1219 CA MET A 78 -6.687 -11.144 5.436 1.00 0.00 C ATOM 1220 C MET A 78 -7.803 -12.019 4.890 1.00 0.00 C ATOM 1221 O MET A 78 -8.449 -12.758 5.631 1.00 0.00 O ATOM 1222 CB MET A 78 -7.259 -10.104 6.401 1.00 0.00 C ATOM 1223 CG MET A 78 -8.353 -10.649 7.305 1.00 0.00 C ATOM 1224 SD MET A 78 -9.931 -10.835 6.451 1.00 0.00 S ATOM 1225 CE MET A 78 -10.569 -12.312 7.237 1.00 0.00 C ATOM 0 H MET A 78 -6.237 -9.515 4.210 1.00 0.00 H new ATOM 0 HA MET A 78 -5.978 -11.768 5.981 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.451 -9.711 7.018 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.657 -9.268 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.043 -11.616 7.702 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.482 -9.981 8.157 1.00 0.00 H new ATOM 0 HE1 MET A 78 -11.159 -12.881 6.518 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.739 -12.924 7.590 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.198 -12.032 8.082 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.018 -11.926 3.579 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.049 -12.708 2.918 1.00 0.00 C ATOM 1237 C ALA A 79 -10.295 -11.872 2.654 1.00 0.00 C ATOM 1238 O ALA A 79 -11.338 -12.079 3.275 1.00 0.00 O ATOM 1239 CB ALA A 79 -9.382 -13.923 3.761 1.00 0.00 C ATOM 0 H ALA A 79 -7.489 -11.315 2.957 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.670 -13.038 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.155 -14.509 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.488 -14.534 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.742 -13.600 4.738 1.00 0.00 H new ATOM 1245 N LYS A 80 -10.176 -10.925 1.728 1.00 0.00 N ATOM 1246 CA LYS A 80 -11.289 -10.051 1.375 1.00 0.00 C ATOM 1247 C LYS A 80 -12.596 -10.561 1.974 1.00 0.00 C ATOM 1248 O LYS A 80 -12.879 -10.228 3.144 1.00 0.00 O ATOM 1249 CB LYS A 80 -11.420 -9.947 -0.146 1.00 0.00 C ATOM 1250 CG LYS A 80 -10.178 -9.396 -0.828 1.00 0.00 C ATOM 1251 CD LYS A 80 -9.103 -10.461 -0.973 1.00 0.00 C ATOM 1252 CE LYS A 80 -8.922 -10.876 -2.424 1.00 0.00 C ATOM 1253 NZ LYS A 80 -8.142 -12.138 -2.548 1.00 0.00 N ATOM 1254 OXT LYS A 80 -13.326 -11.287 1.267 1.00 0.00 O ATOM 0 H LYS A 80 -9.318 -10.743 1.208 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.084 -9.062 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.639 -10.935 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.270 -9.308 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.443 -9.009 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.786 -8.558 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.159 -10.082 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.370 -11.332 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.899 -11.006 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.414 -10.080 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.041 -12.386 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.200 -12.007 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.639 -12.904 -2.050 1.00 0.00 H new