USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 34 ASN : amide:sc= -0.0976 X(o=-0.65,f=-0.56) USER MOD Set 1.2: A 54 TYR OH : rot 151:sc= -0.555 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.959 X(o=-1.1,f=-0.71) USER MOD Set 2.2: A 6 SER OG : rot -160:sc= -0.0923 USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.134 (180deg=-0.49) USER MOD Single : A 8 SER OG : rot -24:sc= 0.217 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -88:sc= 0.621 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc=-0.00552 (180deg=-0.122) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.977) USER MOD Single : A 44 THR OG1 : rot -80:sc= 0.861 USER MOD Single : A 46 HIS : no HD1:sc= -1.03 K(o=-1,f=-5.7!) USER MOD Single : A 50 SER OG : rot -83:sc= 1.28 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.636 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.21) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 1.29 (180deg=0.976) USER MOD Single : A 78 ASN : amide:sc= 1.17 K(o=1.2,f=-0.033) USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.06) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.14) USER MOD Single : A 85 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 9.965 8.321 -10.531 1.00 0.00 N ATOM 2 CA GLU A 2 9.751 9.523 -9.756 1.00 0.00 C ATOM 3 C GLU A 2 9.760 9.150 -8.291 1.00 0.00 C ATOM 4 O GLU A 2 9.468 8.005 -7.943 1.00 0.00 O ATOM 5 CB GLU A 2 8.406 10.180 -10.147 1.00 0.00 C ATOM 6 CG GLU A 2 8.071 11.454 -9.374 1.00 0.00 C ATOM 7 CD GLU A 2 9.109 12.535 -9.543 1.00 0.00 C ATOM 8 OE1 GLU A 2 10.183 12.454 -8.922 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.877 13.485 -10.317 1.00 0.00 O ATOM 0 HA GLU A 2 10.542 10.246 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.426 10.412 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.605 9.457 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.104 11.831 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.972 11.215 -8.315 1.00 0.00 H new ATOM 16 N LEU A 3 10.116 10.082 -7.451 1.00 0.00 N ATOM 17 CA LEU A 3 10.114 9.865 -6.045 1.00 0.00 C ATOM 18 C LEU A 3 9.225 10.868 -5.366 1.00 0.00 C ATOM 19 O LEU A 3 9.367 12.081 -5.551 1.00 0.00 O ATOM 20 CB LEU A 3 11.517 9.883 -5.457 1.00 0.00 C ATOM 21 CG LEU A 3 12.422 8.713 -5.826 1.00 0.00 C ATOM 22 CD1 LEU A 3 13.810 8.937 -5.276 1.00 0.00 C ATOM 23 CD2 LEU A 3 11.851 7.403 -5.286 1.00 0.00 C ATOM 0 H LEU A 3 10.416 11.016 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 3 9.716 8.866 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.007 10.805 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.432 9.920 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 3 12.476 8.647 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.448 8.095 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.224 9.855 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.762 9.023 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.510 6.579 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.772 7.460 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.862 7.234 -5.713 1.00 0.00 H new ATOM 35 N LYS A 4 8.315 10.364 -4.597 1.00 0.00 N ATOM 36 CA LYS A 4 7.352 11.176 -3.891 1.00 0.00 C ATOM 37 C LYS A 4 7.944 11.916 -2.709 1.00 0.00 C ATOM 38 O LYS A 4 9.091 11.672 -2.296 1.00 0.00 O ATOM 39 CB LYS A 4 6.170 10.311 -3.406 1.00 0.00 C ATOM 40 CG LYS A 4 6.534 9.023 -2.665 1.00 0.00 C ATOM 41 CD LYS A 4 7.341 9.189 -1.399 1.00 0.00 C ATOM 42 CE LYS A 4 7.799 7.851 -0.883 1.00 0.00 C ATOM 43 NZ LYS A 4 8.737 7.164 -1.808 1.00 0.00 N ATOM 0 H LYS A 4 8.210 9.363 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 4 7.008 11.924 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.547 10.919 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.561 10.048 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.612 8.498 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.093 8.382 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.205 9.825 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.739 9.691 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.284 7.987 0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.930 7.215 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.286 6.454 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.198 6.695 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.385 7.862 -2.227 1.00 0.00 H new ATOM 57 N HIS A 5 7.148 12.793 -2.162 1.00 0.00 N ATOM 58 CA HIS A 5 7.455 13.430 -0.906 1.00 0.00 C ATOM 59 C HIS A 5 6.569 12.796 0.181 1.00 0.00 C ATOM 60 O HIS A 5 6.859 12.882 1.361 1.00 0.00 O ATOM 61 CB HIS A 5 7.236 14.966 -0.981 1.00 0.00 C ATOM 62 CG HIS A 5 5.819 15.386 -1.264 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.290 15.509 -2.526 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.807 15.656 -0.406 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.005 15.828 -2.403 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.656 15.931 -1.128 1.00 0.00 N ATOM 0 H HIS A 5 6.263 13.089 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 5 8.507 13.277 -0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.551 15.411 -0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.883 15.374 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.884 15.657 0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.333 15.983 -3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.735 16.164 -0.757 1.00 0.00 H new ATOM 74 N SER A 6 5.483 12.138 -0.256 1.00 0.00 N ATOM 75 CA SER A 6 4.536 11.506 0.647 1.00 0.00 C ATOM 76 C SER A 6 3.691 10.508 -0.131 1.00 0.00 C ATOM 77 O SER A 6 3.814 10.414 -1.357 1.00 0.00 O ATOM 78 CB SER A 6 3.610 12.576 1.228 1.00 0.00 C ATOM 79 OG SER A 6 2.856 13.207 0.190 1.00 0.00 O ATOM 0 H SER A 6 5.247 12.035 -1.243 1.00 0.00 H new ATOM 0 HA SER A 6 5.076 10.998 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.933 12.124 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.198 13.322 1.763 1.00 0.00 H new ATOM 0 HG SER A 6 2.521 14.071 0.508 1.00 0.00 H new ATOM 85 N ILE A 7 2.815 9.801 0.568 1.00 0.00 N ATOM 86 CA ILE A 7 1.851 8.899 -0.052 1.00 0.00 C ATOM 87 C ILE A 7 0.845 9.727 -0.870 1.00 0.00 C ATOM 88 O ILE A 7 0.275 9.260 -1.842 1.00 0.00 O ATOM 89 CB ILE A 7 1.083 8.067 1.029 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.151 7.039 0.367 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.292 8.985 1.959 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.683 6.229 1.341 1.00 0.00 C ATOM 0 H ILE A 7 2.751 9.836 1.585 1.00 0.00 H new ATOM 0 HA ILE A 7 2.387 8.206 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 7 1.820 7.528 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.517 7.561 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.752 6.356 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.234 8.385 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.975 9.669 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.431 9.557 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.310 5.529 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.025 5.675 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.314 6.899 1.925 1.00 0.00 H new ATOM 104 N SER A 8 0.712 10.994 -0.497 1.00 0.00 N ATOM 105 CA SER A 8 -0.203 11.893 -1.130 1.00 0.00 C ATOM 106 C SER A 8 0.346 12.341 -2.489 1.00 0.00 C ATOM 107 O SER A 8 -0.338 13.009 -3.265 1.00 0.00 O ATOM 108 CB SER A 8 -0.503 13.086 -0.186 1.00 0.00 C ATOM 109 OG SER A 8 -1.440 13.990 -0.738 1.00 0.00 O ATOM 0 H SER A 8 1.248 11.415 0.262 1.00 0.00 H new ATOM 0 HA SER A 8 -1.147 11.384 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.883 12.708 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.424 13.616 0.031 1.00 0.00 H new ATOM 0 HG SER A 8 -1.428 13.917 -1.715 1.00 0.00 H new ATOM 115 N ASP A 9 1.591 11.980 -2.779 1.00 0.00 N ATOM 116 CA ASP A 9 2.153 12.286 -4.087 1.00 0.00 C ATOM 117 C ASP A 9 1.963 11.085 -5.030 1.00 0.00 C ATOM 118 O ASP A 9 2.274 11.136 -6.220 1.00 0.00 O ATOM 119 CB ASP A 9 3.615 12.696 -3.985 1.00 0.00 C ATOM 120 CG ASP A 9 4.138 13.316 -5.264 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.583 14.343 -5.702 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.149 12.839 -5.809 1.00 0.00 O ATOM 0 H ASP A 9 2.217 11.487 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 9 1.619 13.140 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.733 13.407 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.217 11.822 -3.737 1.00 0.00 H new ATOM 127 N TYR A 10 1.432 10.024 -4.482 1.00 0.00 N ATOM 128 CA TYR A 10 1.068 8.849 -5.242 1.00 0.00 C ATOM 129 C TYR A 10 -0.378 8.973 -5.642 1.00 0.00 C ATOM 130 O TYR A 10 -1.165 9.510 -4.892 1.00 0.00 O ATOM 131 CB TYR A 10 1.187 7.576 -4.384 1.00 0.00 C ATOM 132 CG TYR A 10 2.529 6.894 -4.346 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.505 7.212 -3.414 1.00 0.00 C ATOM 134 CD2 TYR A 10 2.798 5.876 -5.238 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.695 6.526 -3.396 1.00 0.00 C ATOM 136 CE2 TYR A 10 3.988 5.200 -5.223 1.00 0.00 C ATOM 137 CZ TYR A 10 4.930 5.527 -4.298 1.00 0.00 C ATOM 138 OH TYR A 10 6.115 4.845 -4.263 1.00 0.00 O ATOM 0 H TYR A 10 1.236 9.947 -3.484 1.00 0.00 H new ATOM 0 HA TYR A 10 1.733 8.777 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.909 7.831 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.452 6.856 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.329 8.002 -2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.049 5.605 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.449 6.778 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.177 4.414 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 10 6.123 4.166 -4.970 1.00 0.00 H new ATOM 148 N THR A 11 -0.722 8.548 -6.815 1.00 0.00 N ATOM 149 CA THR A 11 -2.115 8.426 -7.175 1.00 0.00 C ATOM 150 C THR A 11 -2.581 7.038 -6.706 1.00 0.00 C ATOM 151 O THR A 11 -1.732 6.241 -6.260 1.00 0.00 O ATOM 152 CB THR A 11 -2.286 8.559 -8.697 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.368 7.678 -9.349 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.036 9.988 -9.152 1.00 0.00 C ATOM 0 H THR A 11 -0.065 8.277 -7.546 1.00 0.00 H new ATOM 0 HA THR A 11 -2.707 9.213 -6.707 1.00 0.00 H new ATOM 0 HB THR A 11 -3.310 8.294 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.511 8.136 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.164 10.053 -10.233 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.745 10.655 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.020 10.281 -8.888 1.00 0.00 H new ATOM 162 N GLU A 12 -3.886 6.717 -6.793 1.00 0.00 N ATOM 163 CA GLU A 12 -4.347 5.374 -6.396 1.00 0.00 C ATOM 164 C GLU A 12 -3.653 4.342 -7.273 1.00 0.00 C ATOM 165 O GLU A 12 -3.248 3.298 -6.812 1.00 0.00 O ATOM 166 CB GLU A 12 -5.888 5.194 -6.515 1.00 0.00 C ATOM 167 CG GLU A 12 -6.367 3.800 -6.046 1.00 0.00 C ATOM 168 CD GLU A 12 -7.811 3.469 -6.394 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.099 3.227 -7.581 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.684 3.428 -5.485 1.00 0.00 O ATOM 0 H GLU A 12 -4.618 7.346 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.094 5.240 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.386 5.962 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.188 5.346 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.719 3.042 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.245 3.734 -4.965 1.00 0.00 H new ATOM 177 N ALA A 13 -3.447 4.708 -8.522 1.00 0.00 N ATOM 178 CA ALA A 13 -2.824 3.819 -9.493 1.00 0.00 C ATOM 179 C ALA A 13 -1.350 3.586 -9.179 1.00 0.00 C ATOM 180 O ALA A 13 -0.888 2.454 -9.175 1.00 0.00 O ATOM 181 CB ALA A 13 -2.997 4.343 -10.899 1.00 0.00 C ATOM 0 H ALA A 13 -3.703 5.622 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.331 2.857 -9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.522 3.660 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.059 4.422 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.534 5.327 -10.980 1.00 0.00 H new ATOM 187 N GLU A 14 -0.621 4.654 -8.885 1.00 0.00 N ATOM 188 CA GLU A 14 0.801 4.539 -8.531 1.00 0.00 C ATOM 189 C GLU A 14 0.974 3.804 -7.227 1.00 0.00 C ATOM 190 O GLU A 14 1.965 3.096 -7.025 1.00 0.00 O ATOM 191 CB GLU A 14 1.452 5.902 -8.442 1.00 0.00 C ATOM 192 CG GLU A 14 1.548 6.633 -9.749 1.00 0.00 C ATOM 193 CD GLU A 14 2.005 8.041 -9.550 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.148 8.907 -9.299 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.225 8.312 -9.639 1.00 0.00 O ATOM 0 H GLU A 14 -0.982 5.608 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 14 1.290 3.970 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.888 6.514 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.455 5.785 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.242 6.113 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.576 6.630 -10.242 1.00 0.00 H new ATOM 202 N PHE A 15 0.030 3.976 -6.348 1.00 0.00 N ATOM 203 CA PHE A 15 0.045 3.295 -5.092 1.00 0.00 C ATOM 204 C PHE A 15 -0.351 1.859 -5.294 1.00 0.00 C ATOM 205 O PHE A 15 0.110 0.994 -4.607 1.00 0.00 O ATOM 206 CB PHE A 15 -0.831 3.991 -4.082 1.00 0.00 C ATOM 207 CG PHE A 15 -0.692 3.429 -2.718 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.372 3.790 -1.923 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.620 2.543 -2.232 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.504 3.270 -0.667 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.499 2.020 -0.980 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.438 2.383 -0.199 1.00 0.00 C ATOM 0 H PHE A 15 -0.771 4.593 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 15 1.056 3.315 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.581 5.052 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.872 3.915 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.107 4.489 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.458 2.256 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.341 3.553 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.236 1.324 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.338 1.970 0.794 1.00 0.00 H new ATOM 222 N LEU A 16 -1.209 1.612 -6.237 1.00 0.00 N ATOM 223 CA LEU A 16 -1.555 0.252 -6.595 1.00 0.00 C ATOM 224 C LEU A 16 -0.343 -0.446 -7.096 1.00 0.00 C ATOM 225 O LEU A 16 -0.179 -1.641 -6.911 1.00 0.00 O ATOM 226 CB LEU A 16 -2.608 0.212 -7.666 1.00 0.00 C ATOM 227 CG LEU A 16 -3.782 -0.600 -7.312 1.00 0.00 C ATOM 228 CD1 LEU A 16 -4.927 0.270 -6.878 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.192 -1.512 -8.397 1.00 0.00 C ATOM 0 H LEU A 16 -1.689 2.330 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.948 -0.239 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.933 1.230 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.167 -0.182 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.486 -1.228 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.782 -0.355 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.630 0.854 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.200 0.944 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.063 -2.086 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.443 -0.932 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.373 -2.193 -8.629 1.00 0.00 H new ATOM 241 N GLU A 17 0.507 0.298 -7.720 1.00 0.00 N ATOM 242 CA GLU A 17 1.725 -0.248 -8.193 1.00 0.00 C ATOM 243 C GLU A 17 2.623 -0.665 -7.019 1.00 0.00 C ATOM 244 O GLU A 17 3.475 -1.513 -7.194 1.00 0.00 O ATOM 245 CB GLU A 17 2.478 0.686 -9.125 1.00 0.00 C ATOM 246 CG GLU A 17 1.723 1.111 -10.363 1.00 0.00 C ATOM 247 CD GLU A 17 2.554 2.009 -11.237 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.631 3.226 -10.971 1.00 0.00 O ATOM 249 OE2 GLU A 17 3.159 1.510 -12.213 1.00 0.00 O ATOM 0 H GLU A 17 0.376 1.291 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 17 1.459 -1.128 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.760 1.579 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.402 0.197 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.423 0.228 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.809 1.629 -10.073 1.00 0.00 H new ATOM 256 N PHE A 18 2.416 -0.048 -5.820 1.00 0.00 N ATOM 257 CA PHE A 18 3.155 -0.447 -4.590 1.00 0.00 C ATOM 258 C PHE A 18 2.953 -1.917 -4.395 1.00 0.00 C ATOM 259 O PHE A 18 3.887 -2.702 -4.417 1.00 0.00 O ATOM 260 CB PHE A 18 2.695 0.380 -3.273 1.00 0.00 C ATOM 261 CG PHE A 18 1.917 -0.376 -2.104 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.519 -0.507 -2.109 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.596 -0.928 -1.015 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.155 -1.168 -1.067 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.913 -1.579 0.012 1.00 0.00 C ATOM 266 CZ PHE A 18 0.548 -1.695 -0.019 1.00 0.00 C ATOM 0 H PHE A 18 1.754 0.715 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 18 4.211 -0.211 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.590 0.823 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.063 1.202 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.049 -0.092 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.672 -0.849 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.231 -1.260 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.466 -1.996 0.841 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.029 -2.201 0.782 1.00 0.00 H new ATOM 276 N VAL A 19 1.717 -2.276 -4.323 1.00 0.00 N ATOM 277 CA VAL A 19 1.329 -3.615 -4.035 1.00 0.00 C ATOM 278 C VAL A 19 1.565 -4.549 -5.213 1.00 0.00 C ATOM 279 O VAL A 19 1.981 -5.691 -5.022 1.00 0.00 O ATOM 280 CB VAL A 19 -0.117 -3.679 -3.500 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.122 -3.185 -4.496 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.465 -5.041 -2.953 1.00 0.00 C ATOM 0 H VAL A 19 0.935 -1.637 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 19 1.976 -3.977 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.163 -2.989 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.122 -3.252 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.904 -2.147 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.072 -3.796 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.492 -5.035 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.364 -5.787 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.209 -5.287 -2.133 1.00 0.00 H new ATOM 292 N LYS A 20 1.321 -4.063 -6.426 1.00 0.00 N ATOM 293 CA LYS A 20 1.584 -4.860 -7.617 1.00 0.00 C ATOM 294 C LYS A 20 3.076 -5.218 -7.687 1.00 0.00 C ATOM 295 O LYS A 20 3.449 -6.345 -8.022 1.00 0.00 O ATOM 296 CB LYS A 20 1.165 -4.136 -8.894 1.00 0.00 C ATOM 297 CG LYS A 20 -0.323 -3.890 -8.984 1.00 0.00 C ATOM 298 CD LYS A 20 -0.718 -3.397 -10.344 1.00 0.00 C ATOM 299 CE LYS A 20 -2.192 -3.136 -10.442 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.659 -2.983 -11.832 1.00 0.00 N ATOM 0 H LYS A 20 0.946 -3.132 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 20 0.988 -5.770 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.688 -3.181 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.481 -4.723 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.859 -4.812 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.618 -3.159 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.172 -2.481 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.430 -4.133 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.733 -3.957 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.433 -2.233 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.684 -2.805 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.167 -2.183 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.457 -3.853 -12.364 1.00 0.00 H new ATOM 314 N LYS A 21 3.920 -4.253 -7.319 1.00 0.00 N ATOM 315 CA LYS A 21 5.355 -4.449 -7.272 1.00 0.00 C ATOM 316 C LYS A 21 5.705 -5.447 -6.190 1.00 0.00 C ATOM 317 O LYS A 21 6.497 -6.321 -6.417 1.00 0.00 O ATOM 318 CB LYS A 21 6.093 -3.119 -7.024 1.00 0.00 C ATOM 319 CG LYS A 21 7.616 -3.244 -6.933 1.00 0.00 C ATOM 320 CD LYS A 21 8.271 -1.904 -6.613 1.00 0.00 C ATOM 321 CE LYS A 21 8.078 -0.891 -7.734 1.00 0.00 C ATOM 322 NZ LYS A 21 8.783 -1.288 -8.971 1.00 0.00 N ATOM 0 H LYS A 21 3.620 -3.317 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 21 5.676 -4.837 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.846 -2.426 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.721 -2.679 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.877 -3.970 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.007 -3.625 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.850 -1.507 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.337 -2.054 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.014 -0.781 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.441 0.084 -7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.783 -0.493 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.764 -1.548 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.299 -2.103 -9.400 1.00 0.00 H new ATOM 336 N ILE A 22 5.082 -5.321 -5.028 1.00 0.00 N ATOM 337 CA ILE A 22 5.343 -6.229 -3.910 1.00 0.00 C ATOM 338 C ILE A 22 4.898 -7.664 -4.240 1.00 0.00 C ATOM 339 O ILE A 22 5.533 -8.647 -3.830 1.00 0.00 O ATOM 340 CB ILE A 22 4.704 -5.734 -2.591 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.183 -4.318 -2.299 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.115 -6.651 -1.444 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.577 -3.692 -1.083 1.00 0.00 C ATOM 0 H ILE A 22 4.390 -4.599 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 22 6.422 -6.238 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 22 3.619 -5.743 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.267 -4.332 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.964 -3.690 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.663 -6.299 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.776 -7.666 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.200 -6.644 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.976 -2.686 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.495 -3.640 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.818 -4.293 -0.206 1.00 0.00 H new ATOM 355 N CYS A 23 3.835 -7.781 -4.996 1.00 0.00 N ATOM 356 CA CYS A 23 3.350 -9.069 -5.449 1.00 0.00 C ATOM 357 C CYS A 23 4.407 -9.758 -6.346 1.00 0.00 C ATOM 358 O CYS A 23 4.576 -10.968 -6.312 1.00 0.00 O ATOM 359 CB CYS A 23 2.027 -8.883 -6.206 1.00 0.00 C ATOM 360 SG CYS A 23 1.279 -10.401 -6.843 1.00 0.00 S ATOM 0 H CYS A 23 3.279 -6.989 -5.317 1.00 0.00 H new ATOM 0 HA CYS A 23 3.173 -9.711 -4.586 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.313 -8.397 -5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.198 -8.204 -7.041 1.00 0.00 H new ATOM 0 HG CYS A 23 0.170 -10.114 -7.458 1.00 0.00 H new ATOM 366 N ARG A 24 5.108 -8.975 -7.135 1.00 0.00 N ATOM 367 CA ARG A 24 6.144 -9.488 -8.033 1.00 0.00 C ATOM 368 C ARG A 24 7.573 -9.283 -7.469 1.00 0.00 C ATOM 369 O ARG A 24 8.569 -9.543 -8.150 1.00 0.00 O ATOM 370 CB ARG A 24 5.978 -8.886 -9.419 1.00 0.00 C ATOM 371 CG ARG A 24 6.178 -7.406 -9.498 1.00 0.00 C ATOM 372 CD ARG A 24 5.767 -6.916 -10.853 1.00 0.00 C ATOM 373 NE ARG A 24 6.078 -5.502 -11.041 1.00 0.00 N ATOM 374 CZ ARG A 24 5.271 -4.594 -11.605 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.009 -4.905 -11.936 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.721 -3.365 -11.798 1.00 0.00 N ATOM 0 H ARG A 24 4.984 -7.964 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 24 6.015 -10.567 -8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.684 -9.369 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.978 -9.121 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.591 -6.908 -8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.223 -7.160 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.272 -7.503 -11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.696 -7.072 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 24 6.988 -5.178 -10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.652 -5.844 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.406 -4.203 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.671 -3.120 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.118 -2.663 -12.226 1.00 0.00 H new ATOM 390 N ALA A 25 7.646 -8.841 -6.216 1.00 0.00 N ATOM 391 CA ALA A 25 8.892 -8.418 -5.511 1.00 0.00 C ATOM 392 C ALA A 25 9.881 -9.539 -5.189 1.00 0.00 C ATOM 393 O ALA A 25 10.731 -9.372 -4.310 1.00 0.00 O ATOM 394 CB ALA A 25 8.553 -7.662 -4.248 1.00 0.00 C ATOM 0 H ALA A 25 6.818 -8.758 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 25 9.405 -7.776 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.473 -7.361 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.970 -6.776 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.971 -8.303 -3.585 1.00 0.00 H new ATOM 400 N GLU A 26 9.805 -10.638 -5.901 1.00 0.00 N ATOM 401 CA GLU A 26 10.699 -11.784 -5.734 1.00 0.00 C ATOM 402 C GLU A 26 12.151 -11.495 -6.223 1.00 0.00 C ATOM 403 O GLU A 26 12.731 -12.279 -6.980 1.00 0.00 O ATOM 404 CB GLU A 26 10.121 -13.002 -6.439 1.00 0.00 C ATOM 405 CG GLU A 26 8.853 -13.517 -5.795 1.00 0.00 C ATOM 406 CD GLU A 26 8.258 -14.677 -6.536 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.873 -15.766 -6.568 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.166 -14.518 -7.121 1.00 0.00 O ATOM 0 H GLU A 26 9.107 -10.774 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 26 10.771 -11.986 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.916 -12.748 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.866 -13.797 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.067 -13.818 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.122 -12.710 -5.744 1.00 0.00 H new ATOM 415 N GLY A 27 12.702 -10.374 -5.802 1.00 0.00 N ATOM 416 CA GLY A 27 14.033 -9.970 -6.152 1.00 0.00 C ATOM 417 C GLY A 27 15.108 -10.816 -5.504 1.00 0.00 C ATOM 418 O GLY A 27 16.059 -11.238 -6.172 1.00 0.00 O ATOM 0 H GLY A 27 12.220 -9.711 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.146 -10.018 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.177 -8.929 -5.863 1.00 0.00 H new ATOM 422 N ALA A 28 14.980 -11.059 -4.223 1.00 0.00 N ATOM 423 CA ALA A 28 15.982 -11.823 -3.502 1.00 0.00 C ATOM 424 C ALA A 28 15.351 -12.817 -2.561 1.00 0.00 C ATOM 425 O ALA A 28 15.411 -14.030 -2.774 1.00 0.00 O ATOM 426 CB ALA A 28 16.905 -10.897 -2.702 1.00 0.00 C ATOM 0 H ALA A 28 14.195 -10.742 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 28 16.564 -12.364 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.647 -11.493 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.410 -10.211 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.315 -10.327 -1.984 1.00 0.00 H new ATOM 432 N THR A 29 14.729 -12.296 -1.547 1.00 0.00 N ATOM 433 CA THR A 29 14.189 -13.077 -0.452 1.00 0.00 C ATOM 434 C THR A 29 12.982 -12.349 0.102 1.00 0.00 C ATOM 435 O THR A 29 12.691 -11.237 -0.333 1.00 0.00 O ATOM 436 CB THR A 29 15.238 -13.178 0.690 1.00 0.00 C ATOM 437 OG1 THR A 29 15.709 -11.862 1.013 1.00 0.00 O ATOM 438 CG2 THR A 29 16.415 -14.088 0.339 1.00 0.00 C ATOM 0 H THR A 29 14.574 -11.293 -1.446 1.00 0.00 H new ATOM 0 HA THR A 29 13.928 -14.072 -0.812 1.00 0.00 H new ATOM 0 HB THR A 29 14.745 -13.629 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.370 -11.919 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.114 -14.118 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.049 -15.094 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.923 -13.701 -0.544 1.00 0.00 H new ATOM 446 N GLU A 30 12.330 -12.928 1.103 1.00 0.00 N ATOM 447 CA GLU A 30 11.190 -12.296 1.765 1.00 0.00 C ATOM 448 C GLU A 30 11.623 -10.953 2.356 1.00 0.00 C ATOM 449 O GLU A 30 10.839 -10.020 2.451 1.00 0.00 O ATOM 450 CB GLU A 30 10.682 -13.212 2.868 1.00 0.00 C ATOM 451 CG GLU A 30 9.531 -12.666 3.685 1.00 0.00 C ATOM 452 CD GLU A 30 9.192 -13.570 4.827 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.880 -13.513 5.871 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.247 -14.357 4.712 1.00 0.00 O ATOM 0 H GLU A 30 12.573 -13.844 1.479 1.00 0.00 H new ATOM 0 HA GLU A 30 10.391 -12.124 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.372 -14.156 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.509 -13.436 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.790 -11.678 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.657 -12.542 3.046 1.00 0.00 H new ATOM 461 N GLU A 31 12.898 -10.872 2.700 1.00 0.00 N ATOM 462 CA GLU A 31 13.509 -9.680 3.254 1.00 0.00 C ATOM 463 C GLU A 31 13.431 -8.548 2.248 1.00 0.00 C ATOM 464 O GLU A 31 13.148 -7.411 2.603 1.00 0.00 O ATOM 465 CB GLU A 31 14.972 -9.961 3.558 1.00 0.00 C ATOM 466 CG GLU A 31 15.198 -11.179 4.427 1.00 0.00 C ATOM 467 CD GLU A 31 14.539 -11.043 5.777 1.00 0.00 C ATOM 468 OE1 GLU A 31 15.144 -10.418 6.677 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.386 -11.518 5.951 1.00 0.00 O ATOM 0 H GLU A 31 13.549 -11.651 2.599 1.00 0.00 H new ATOM 0 HA GLU A 31 12.982 -9.399 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.509 -10.093 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.403 -9.090 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.808 -12.062 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.268 -11.335 4.561 1.00 0.00 H new ATOM 476 N ASP A 32 13.646 -8.890 0.994 1.00 0.00 N ATOM 477 CA ASP A 32 13.647 -7.929 -0.102 1.00 0.00 C ATOM 478 C ASP A 32 12.223 -7.455 -0.393 1.00 0.00 C ATOM 479 O ASP A 32 11.991 -6.267 -0.630 1.00 0.00 O ATOM 480 CB ASP A 32 14.327 -8.549 -1.337 1.00 0.00 C ATOM 481 CG ASP A 32 14.354 -7.663 -2.568 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.007 -6.584 -2.551 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.785 -8.058 -3.592 1.00 0.00 O ATOM 0 H ASP A 32 13.827 -9.850 0.699 1.00 0.00 H new ATOM 0 HA ASP A 32 14.222 -7.047 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.352 -8.812 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.814 -9.477 -1.588 1.00 0.00 H new ATOM 488 N ASP A 33 11.271 -8.383 -0.311 1.00 0.00 N ATOM 489 CA ASP A 33 9.828 -8.072 -0.457 1.00 0.00 C ATOM 490 C ASP A 33 9.387 -7.149 0.658 1.00 0.00 C ATOM 491 O ASP A 33 8.873 -6.047 0.434 1.00 0.00 O ATOM 492 CB ASP A 33 8.959 -9.341 -0.325 1.00 0.00 C ATOM 493 CG ASP A 33 9.114 -10.369 -1.408 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.092 -11.125 -1.385 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.205 -10.491 -2.258 1.00 0.00 O ATOM 0 H ASP A 33 11.464 -9.370 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 33 9.701 -7.621 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.187 -9.814 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.913 -9.037 -0.289 1.00 0.00 H new ATOM 500 N ASN A 34 9.636 -7.605 1.867 1.00 0.00 N ATOM 501 CA ASN A 34 9.201 -6.953 3.090 1.00 0.00 C ATOM 502 C ASN A 34 9.864 -5.597 3.287 1.00 0.00 C ATOM 503 O ASN A 34 9.316 -4.730 3.938 1.00 0.00 O ATOM 504 CB ASN A 34 9.455 -7.889 4.275 1.00 0.00 C ATOM 505 CG ASN A 34 8.955 -7.377 5.609 1.00 0.00 C ATOM 506 OD1 ASN A 34 7.792 -7.577 5.970 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.825 -6.794 6.377 1.00 0.00 N ATOM 0 H ASN A 34 10.161 -8.463 2.034 1.00 0.00 H new ATOM 0 HA ASN A 34 8.132 -6.752 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.981 -8.849 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.527 -8.073 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.555 -6.485 7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.778 -6.645 6.046 1.00 0.00 H new ATOM 514 N LYS A 35 11.015 -5.405 2.677 1.00 0.00 N ATOM 515 CA LYS A 35 11.723 -4.172 2.741 1.00 0.00 C ATOM 516 C LYS A 35 10.906 -3.082 2.048 1.00 0.00 C ATOM 517 O LYS A 35 10.802 -1.953 2.549 1.00 0.00 O ATOM 518 CB LYS A 35 13.078 -4.383 2.073 1.00 0.00 C ATOM 519 CG LYS A 35 13.775 -3.138 1.646 1.00 0.00 C ATOM 520 CD LYS A 35 15.076 -3.438 0.903 1.00 0.00 C ATOM 521 CE LYS A 35 14.828 -4.208 -0.391 1.00 0.00 C ATOM 522 NZ LYS A 35 16.077 -4.543 -1.100 1.00 0.00 N ATOM 0 H LYS A 35 11.480 -6.120 2.118 1.00 0.00 H new ATOM 0 HA LYS A 35 11.881 -3.851 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.725 -4.924 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.939 -5.021 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.116 -2.556 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.990 -2.524 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.589 -2.503 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.738 -4.016 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.286 -5.126 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.191 -3.614 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.923 -5.381 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.363 -3.741 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.826 -4.744 -0.407 1.00 0.00 H new ATOM 536 N LEU A 36 10.297 -3.432 0.920 1.00 0.00 N ATOM 537 CA LEU A 36 9.437 -2.504 0.221 1.00 0.00 C ATOM 538 C LEU A 36 8.240 -2.226 1.086 1.00 0.00 C ATOM 539 O LEU A 36 7.884 -1.077 1.312 1.00 0.00 O ATOM 540 CB LEU A 36 8.990 -3.060 -1.138 1.00 0.00 C ATOM 541 CG LEU A 36 10.104 -3.352 -2.138 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.525 -3.912 -3.425 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.907 -2.091 -2.420 1.00 0.00 C ATOM 0 H LEU A 36 10.386 -4.347 0.478 1.00 0.00 H new ATOM 0 HA LEU A 36 9.990 -1.585 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.432 -3.980 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.299 -2.348 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 36 10.772 -4.097 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.332 -4.115 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.989 -4.836 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.838 -3.187 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.698 -2.316 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.250 -1.326 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.349 -1.726 -1.493 1.00 0.00 H new ATOM 555 N VAL A 37 7.679 -3.293 1.634 1.00 0.00 N ATOM 556 CA VAL A 37 6.522 -3.212 2.512 1.00 0.00 C ATOM 557 C VAL A 37 6.753 -2.206 3.645 1.00 0.00 C ATOM 558 O VAL A 37 5.935 -1.330 3.868 1.00 0.00 O ATOM 559 CB VAL A 37 6.184 -4.584 3.138 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.957 -4.467 4.010 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.981 -5.647 2.073 1.00 0.00 C ATOM 0 H VAL A 37 8.015 -4.244 1.481 1.00 0.00 H new ATOM 0 HA VAL A 37 5.688 -2.883 1.892 1.00 0.00 H new ATOM 0 HB VAL A 37 7.030 -4.892 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.727 -5.439 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.144 -3.747 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.113 -4.131 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.745 -6.599 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.159 -5.355 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.893 -5.752 1.485 1.00 0.00 H new ATOM 571 N ARG A 38 7.899 -2.308 4.297 1.00 0.00 N ATOM 572 CA ARG A 38 8.228 -1.463 5.440 1.00 0.00 C ATOM 573 C ARG A 38 8.251 0.027 5.127 1.00 0.00 C ATOM 574 O ARG A 38 7.887 0.843 5.989 1.00 0.00 O ATOM 575 CB ARG A 38 9.527 -1.884 6.084 1.00 0.00 C ATOM 576 CG ARG A 38 9.435 -3.259 6.659 1.00 0.00 C ATOM 577 CD ARG A 38 10.655 -3.642 7.429 1.00 0.00 C ATOM 578 NE ARG A 38 10.902 -2.793 8.613 1.00 0.00 N ATOM 579 CZ ARG A 38 10.516 -3.095 9.873 1.00 0.00 C ATOM 580 NH1 ARG A 38 9.556 -3.992 10.089 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.042 -2.441 10.902 1.00 0.00 N ATOM 0 H ARG A 38 8.629 -2.977 4.052 1.00 0.00 H new ATOM 0 HA ARG A 38 7.412 -1.614 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.328 -1.851 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.790 -1.177 6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.564 -3.318 7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.278 -3.976 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.560 -4.679 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.521 -3.591 6.769 1.00 0.00 H new ATOM 0 HE ARG A 38 11.400 -1.915 8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.106 -4.457 9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.271 -4.214 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.737 -1.712 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.751 -2.668 11.853 1.00 0.00 H new ATOM 595 N GLU A 39 8.658 0.405 3.916 1.00 0.00 N ATOM 596 CA GLU A 39 8.670 1.821 3.586 1.00 0.00 C ATOM 597 C GLU A 39 7.245 2.279 3.309 1.00 0.00 C ATOM 598 O GLU A 39 6.830 3.372 3.717 1.00 0.00 O ATOM 599 CB GLU A 39 9.621 2.176 2.410 1.00 0.00 C ATOM 600 CG GLU A 39 9.194 1.694 1.031 1.00 0.00 C ATOM 601 CD GLU A 39 10.133 2.163 -0.050 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.119 1.468 -0.352 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.904 3.240 -0.615 1.00 0.00 O ATOM 0 H GLU A 39 8.971 -0.224 3.176 1.00 0.00 H new ATOM 0 HA GLU A 39 9.071 2.358 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.732 3.260 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.605 1.761 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.151 0.605 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.188 2.054 0.817 1.00 0.00 H new ATOM 610 N PHE A 40 6.474 1.406 2.682 1.00 0.00 N ATOM 611 CA PHE A 40 5.107 1.704 2.367 1.00 0.00 C ATOM 612 C PHE A 40 4.243 1.735 3.624 1.00 0.00 C ATOM 613 O PHE A 40 3.365 2.568 3.731 1.00 0.00 O ATOM 614 CB PHE A 40 4.536 0.760 1.312 1.00 0.00 C ATOM 615 CG PHE A 40 5.159 0.891 -0.071 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.966 2.029 -0.838 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.893 -0.147 -0.614 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.499 2.123 -2.116 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.432 -0.058 -1.883 1.00 0.00 C ATOM 620 CZ PHE A 40 6.235 1.072 -2.637 1.00 0.00 C ATOM 0 H PHE A 40 6.785 0.481 2.384 1.00 0.00 H new ATOM 0 HA PHE A 40 5.091 2.703 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.664 -0.266 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.464 0.937 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.394 2.852 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.048 -1.045 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.340 3.015 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.009 -0.879 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.652 1.141 -3.631 1.00 0.00 H new ATOM 630 N GLU A 41 4.509 0.839 4.586 1.00 0.00 N ATOM 631 CA GLU A 41 3.827 0.841 5.893 1.00 0.00 C ATOM 632 C GLU A 41 3.952 2.180 6.593 1.00 0.00 C ATOM 633 O GLU A 41 3.072 2.580 7.317 1.00 0.00 O ATOM 634 CB GLU A 41 4.379 -0.230 6.813 1.00 0.00 C ATOM 635 CG GLU A 41 3.879 -1.630 6.556 1.00 0.00 C ATOM 636 CD GLU A 41 4.490 -2.603 7.511 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.704 -2.848 7.424 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.766 -3.124 8.410 1.00 0.00 O ATOM 0 H GLU A 41 5.199 0.095 4.483 1.00 0.00 H new ATOM 0 HA GLU A 41 2.777 0.638 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.466 -0.230 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.138 0.040 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.793 -1.655 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.116 -1.922 5.533 1.00 0.00 H new ATOM 645 N ARG A 42 5.039 2.859 6.355 1.00 0.00 N ATOM 646 CA ARG A 42 5.274 4.159 6.952 1.00 0.00 C ATOM 647 C ARG A 42 4.509 5.216 6.205 1.00 0.00 C ATOM 648 O ARG A 42 3.855 6.051 6.804 1.00 0.00 O ATOM 649 CB ARG A 42 6.749 4.449 6.932 1.00 0.00 C ATOM 650 CG ARG A 42 7.142 5.792 7.500 1.00 0.00 C ATOM 651 CD ARG A 42 8.650 5.904 7.603 1.00 0.00 C ATOM 652 NE ARG A 42 9.314 5.689 6.297 1.00 0.00 N ATOM 653 CZ ARG A 42 10.367 4.869 6.097 1.00 0.00 C ATOM 654 NH1 ARG A 42 10.944 4.258 7.126 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.851 4.691 4.873 1.00 0.00 N ATOM 0 H ARG A 42 5.789 2.535 5.745 1.00 0.00 H new ATOM 0 HA ARG A 42 4.926 4.160 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.265 3.669 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.102 4.389 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.755 6.589 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.694 5.922 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.915 6.890 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.019 5.173 8.322 1.00 0.00 H new ATOM 0 HE ARG A 42 8.949 6.197 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.591 4.408 8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.740 3.639 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.427 5.175 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.647 4.071 4.725 1.00 0.00 H new ATOM 669 N LEU A 43 4.587 5.156 4.905 1.00 0.00 N ATOM 670 CA LEU A 43 3.850 6.080 4.030 1.00 0.00 C ATOM 671 C LEU A 43 2.349 5.981 4.284 1.00 0.00 C ATOM 672 O LEU A 43 1.630 6.964 4.251 1.00 0.00 O ATOM 673 CB LEU A 43 4.132 5.756 2.566 1.00 0.00 C ATOM 674 CG LEU A 43 5.578 5.899 2.112 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.721 5.422 0.681 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.034 7.345 2.239 1.00 0.00 C ATOM 0 H LEU A 43 5.157 4.474 4.405 1.00 0.00 H new ATOM 0 HA LEU A 43 4.183 7.094 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.813 4.732 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.513 6.404 1.946 1.00 0.00 H new ATOM 0 HG LEU A 43 6.210 5.283 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.759 5.528 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.427 4.375 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.081 6.020 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.070 7.430 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.403 7.981 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.956 7.661 3.279 1.00 0.00 H new ATOM 688 N THR A 44 1.910 4.788 4.572 1.00 0.00 N ATOM 689 CA THR A 44 0.520 4.515 4.797 1.00 0.00 C ATOM 690 C THR A 44 0.161 4.711 6.247 1.00 0.00 C ATOM 691 O THR A 44 -1.009 4.996 6.568 1.00 0.00 O ATOM 692 CB THR A 44 0.184 3.070 4.372 1.00 0.00 C ATOM 693 OG1 THR A 44 1.039 2.153 5.052 1.00 0.00 O ATOM 694 CG2 THR A 44 0.407 2.910 2.905 1.00 0.00 C ATOM 0 H THR A 44 2.514 3.970 4.658 1.00 0.00 H new ATOM 0 HA THR A 44 -0.062 5.214 4.196 1.00 0.00 H new ATOM 0 HB THR A 44 -0.858 2.869 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.911 2.126 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.168 1.888 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.235 3.604 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.450 3.121 2.670 1.00 0.00 H new ATOM 702 N GLU A 45 1.183 4.581 7.132 1.00 0.00 N ATOM 703 CA GLU A 45 1.006 4.609 8.591 1.00 0.00 C ATOM 704 C GLU A 45 0.060 3.473 8.953 1.00 0.00 C ATOM 705 O GLU A 45 -0.617 3.498 9.986 1.00 0.00 O ATOM 706 CB GLU A 45 0.395 5.936 9.007 1.00 0.00 C ATOM 707 CG GLU A 45 1.246 7.152 8.748 1.00 0.00 C ATOM 708 CD GLU A 45 0.430 8.408 8.814 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.087 8.750 9.897 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.233 9.048 7.766 1.00 0.00 O ATOM 0 H GLU A 45 2.153 4.454 6.843 1.00 0.00 H new ATOM 0 HA GLU A 45 1.963 4.494 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.553 6.059 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.168 5.893 10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.051 7.199 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.713 7.070 7.767 1.00 0.00 H new ATOM 717 N HIS A 46 0.052 2.452 8.105 1.00 0.00 N ATOM 718 CA HIS A 46 -0.925 1.433 8.200 1.00 0.00 C ATOM 719 C HIS A 46 -0.451 0.276 9.092 1.00 0.00 C ATOM 720 O HIS A 46 0.573 -0.345 8.833 1.00 0.00 O ATOM 721 CB HIS A 46 -1.390 0.948 6.802 1.00 0.00 C ATOM 722 CG HIS A 46 -2.664 0.178 6.877 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.764 -1.034 7.485 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.920 0.564 6.608 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.055 -1.323 7.616 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.800 -0.391 7.084 1.00 0.00 N ATOM 0 H HIS A 46 0.725 2.329 7.348 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.800 1.866 8.685 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.523 1.808 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.614 0.324 6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.200 1.475 6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.437 -2.211 8.098 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.818 -0.372 7.031 1.00 0.00 H new ATOM 734 N PRO A 47 -1.245 -0.031 10.123 1.00 0.00 N ATOM 735 CA PRO A 47 -0.939 -1.039 11.149 1.00 0.00 C ATOM 736 C PRO A 47 -0.745 -2.419 10.602 1.00 0.00 C ATOM 737 O PRO A 47 0.190 -3.137 10.959 1.00 0.00 O ATOM 738 CB PRO A 47 -2.198 -1.040 12.010 1.00 0.00 C ATOM 739 CG PRO A 47 -3.229 -0.300 11.271 1.00 0.00 C ATOM 740 CD PRO A 47 -2.525 0.610 10.375 1.00 0.00 C ATOM 0 HA PRO A 47 -0.009 -0.795 11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.526 -2.060 12.211 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.005 -0.571 12.975 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.867 -0.981 10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.875 0.251 11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.080 0.762 9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.393 1.591 10.832 1.00 0.00 H new ATOM 748 N ASP A 48 -1.600 -2.763 9.709 1.00 0.00 N ATOM 749 CA ASP A 48 -1.649 -4.066 9.170 1.00 0.00 C ATOM 750 C ASP A 48 -1.044 -4.003 7.801 1.00 0.00 C ATOM 751 O ASP A 48 -1.291 -4.849 6.978 1.00 0.00 O ATOM 752 CB ASP A 48 -3.107 -4.550 9.050 1.00 0.00 C ATOM 753 CG ASP A 48 -3.904 -4.389 10.318 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.823 -5.256 11.213 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.618 -3.377 10.446 1.00 0.00 O ATOM 0 H ASP A 48 -2.301 -2.128 9.326 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.110 -4.758 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.599 -3.998 8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.109 -5.601 8.761 1.00 0.00 H new ATOM 760 N GLY A 49 -0.242 -2.958 7.568 1.00 0.00 N ATOM 761 CA GLY A 49 0.393 -2.738 6.244 1.00 0.00 C ATOM 762 C GLY A 49 1.166 -3.904 5.751 1.00 0.00 C ATOM 763 O GLY A 49 1.184 -4.171 4.560 1.00 0.00 O ATOM 0 H GLY A 49 -0.013 -2.251 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.381 -2.493 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.056 -1.875 6.308 1.00 0.00 H new ATOM 767 N SER A 50 1.763 -4.616 6.633 1.00 0.00 N ATOM 768 CA SER A 50 2.474 -5.796 6.224 1.00 0.00 C ATOM 769 C SER A 50 1.527 -6.977 6.090 1.00 0.00 C ATOM 770 O SER A 50 1.620 -7.761 5.142 1.00 0.00 O ATOM 771 CB SER A 50 3.650 -6.073 7.145 1.00 0.00 C ATOM 772 OG SER A 50 3.307 -5.789 8.499 1.00 0.00 O ATOM 0 H SER A 50 1.782 -4.417 7.633 1.00 0.00 H new ATOM 0 HA SER A 50 2.898 -5.625 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.953 -7.116 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.504 -5.465 6.846 1.00 0.00 H new ATOM 0 HG SER A 50 3.415 -4.830 8.670 1.00 0.00 H new ATOM 778 N ASP A 51 0.571 -7.050 7.000 1.00 0.00 N ATOM 779 CA ASP A 51 -0.429 -8.110 7.013 1.00 0.00 C ATOM 780 C ASP A 51 -1.202 -8.139 5.724 1.00 0.00 C ATOM 781 O ASP A 51 -1.305 -9.165 5.127 1.00 0.00 O ATOM 782 CB ASP A 51 -1.409 -7.955 8.172 1.00 0.00 C ATOM 783 CG ASP A 51 -0.763 -8.053 9.519 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.326 -7.015 10.059 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.697 -9.163 10.082 1.00 0.00 O ATOM 0 H ASP A 51 0.464 -6.373 7.756 1.00 0.00 H new ATOM 0 HA ASP A 51 0.115 -9.046 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.909 -6.990 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.179 -8.722 8.091 1.00 0.00 H new ATOM 790 N LEU A 52 -1.663 -6.966 5.271 1.00 0.00 N ATOM 791 CA LEU A 52 -2.499 -6.812 4.048 1.00 0.00 C ATOM 792 C LEU A 52 -1.903 -7.516 2.850 1.00 0.00 C ATOM 793 O LEU A 52 -2.607 -8.133 2.053 1.00 0.00 O ATOM 794 CB LEU A 52 -2.644 -5.323 3.667 1.00 0.00 C ATOM 795 CG LEU A 52 -3.276 -4.392 4.688 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.313 -2.984 4.132 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.676 -4.859 5.062 1.00 0.00 C ATOM 0 H LEU A 52 -1.470 -6.081 5.740 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.464 -7.255 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.652 -4.939 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.233 -5.267 2.752 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.672 -4.404 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.766 -2.316 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.298 -2.651 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.902 -2.970 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.104 -4.174 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.304 -4.877 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.624 -5.860 5.489 1.00 0.00 H new ATOM 809 N ILE A 53 -0.608 -7.444 2.760 1.00 0.00 N ATOM 810 CA ILE A 53 0.103 -7.914 1.600 1.00 0.00 C ATOM 811 C ILE A 53 0.302 -9.406 1.652 1.00 0.00 C ATOM 812 O ILE A 53 0.217 -10.103 0.643 1.00 0.00 O ATOM 813 CB ILE A 53 1.456 -7.212 1.538 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.221 -5.706 1.467 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.292 -7.708 0.363 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.466 -4.894 1.519 1.00 0.00 C ATOM 0 H ILE A 53 -0.010 -7.057 3.490 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.482 -7.687 0.709 1.00 0.00 H new ATOM 0 HB ILE A 53 2.026 -7.445 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.688 -5.475 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.573 -5.411 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.249 -7.186 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.465 -8.779 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.761 -7.514 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.213 -3.835 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.991 -5.093 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.108 -5.158 0.679 1.00 0.00 H new ATOM 828 N TYR A 54 0.536 -9.881 2.818 1.00 0.00 N ATOM 829 CA TYR A 54 0.832 -11.257 3.021 1.00 0.00 C ATOM 830 C TYR A 54 -0.425 -12.084 3.272 1.00 0.00 C ATOM 831 O TYR A 54 -0.549 -13.207 2.788 1.00 0.00 O ATOM 832 CB TYR A 54 1.810 -11.388 4.171 1.00 0.00 C ATOM 833 CG TYR A 54 3.228 -10.953 3.854 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.148 -11.852 3.335 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.650 -9.654 4.085 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.444 -11.468 3.062 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.938 -9.255 3.811 1.00 0.00 C ATOM 838 CZ TYR A 54 5.835 -10.171 3.298 1.00 0.00 C ATOM 839 OH TYR A 54 7.130 -9.795 3.036 1.00 0.00 O ATOM 0 H TYR A 54 0.528 -9.322 3.671 1.00 0.00 H new ATOM 0 HA TYR A 54 1.283 -11.652 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.443 -10.797 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.828 -12.428 4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.844 -12.870 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.951 -8.937 4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.149 -12.183 2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.244 -8.236 3.995 1.00 0.00 H new ATOM 0 HH TYR A 54 7.153 -8.844 2.799 1.00 0.00 H new ATOM 849 N TYR A 55 -1.355 -11.520 3.981 1.00 0.00 N ATOM 850 CA TYR A 55 -2.558 -12.204 4.376 1.00 0.00 C ATOM 851 C TYR A 55 -3.757 -11.286 4.119 1.00 0.00 C ATOM 852 O TYR A 55 -3.865 -10.232 4.747 1.00 0.00 O ATOM 853 CB TYR A 55 -2.534 -12.493 5.898 1.00 0.00 C ATOM 854 CG TYR A 55 -1.252 -13.087 6.454 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.039 -14.460 6.494 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.264 -12.257 6.971 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.128 -14.983 7.032 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.898 -12.769 7.500 1.00 0.00 C ATOM 859 CZ TYR A 55 1.093 -14.127 7.533 1.00 0.00 C ATOM 860 OH TYR A 55 2.261 -14.630 8.074 1.00 0.00 O ATOM 0 H TYR A 55 -1.303 -10.556 4.309 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.630 -13.133 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.735 -11.561 6.426 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.354 -13.173 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.791 -15.128 6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.412 -11.187 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.282 -16.052 7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.655 -12.104 7.888 1.00 0.00 H new ATOM 0 HH TYR A 55 2.827 -13.889 8.377 1.00 0.00 H new ATOM 870 N PRO A 56 -4.655 -11.629 3.191 1.00 0.00 N ATOM 871 CA PRO A 56 -5.888 -10.870 3.020 1.00 0.00 C ATOM 872 C PRO A 56 -6.714 -10.986 4.309 1.00 0.00 C ATOM 873 O PRO A 56 -6.706 -12.044 4.934 1.00 0.00 O ATOM 874 CB PRO A 56 -6.594 -11.563 1.844 1.00 0.00 C ATOM 875 CG PRO A 56 -5.953 -12.908 1.740 1.00 0.00 C ATOM 876 CD PRO A 56 -4.549 -12.749 2.244 1.00 0.00 C ATOM 0 HA PRO A 56 -5.734 -9.809 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.665 -11.650 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.471 -10.996 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.497 -13.644 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.958 -13.262 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.191 -13.656 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.854 -12.527 1.435 1.00 0.00 H new ATOM 884 N ARG A 57 -7.394 -9.904 4.706 1.00 0.00 N ATOM 885 CA ARG A 57 -8.124 -9.837 5.993 1.00 0.00 C ATOM 886 C ARG A 57 -9.155 -10.961 6.229 1.00 0.00 C ATOM 887 O ARG A 57 -8.798 -12.090 6.545 1.00 0.00 O ATOM 888 CB ARG A 57 -8.724 -8.443 6.235 1.00 0.00 C ATOM 889 CG ARG A 57 -7.691 -7.349 6.450 1.00 0.00 C ATOM 890 CD ARG A 57 -8.354 -6.004 6.719 1.00 0.00 C ATOM 891 NE ARG A 57 -9.198 -6.007 7.926 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.150 -5.092 8.204 1.00 0.00 C ATOM 893 NH1 ARG A 57 -10.472 -4.168 7.311 1.00 0.00 N ATOM 894 NH2 ARG A 57 -10.789 -5.126 9.368 1.00 0.00 N ATOM 0 H ARG A 57 -7.458 -9.050 4.152 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.359 -10.018 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.348 -8.175 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.377 -8.487 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.048 -7.614 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.052 -7.272 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.583 -5.240 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.962 -5.727 5.858 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.052 -6.757 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.999 -4.146 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.192 -3.479 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.560 -5.845 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.508 -4.433 9.575 1.00 0.00 H new ATOM 908 N ASP A 58 -10.403 -10.653 6.142 1.00 0.00 N ATOM 909 CA ASP A 58 -11.427 -11.685 6.294 1.00 0.00 C ATOM 910 C ASP A 58 -12.278 -11.790 5.058 1.00 0.00 C ATOM 911 O ASP A 58 -12.400 -12.849 4.460 1.00 0.00 O ATOM 912 CB ASP A 58 -12.286 -11.456 7.548 1.00 0.00 C ATOM 913 CG ASP A 58 -13.405 -12.472 7.709 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.130 -13.673 7.889 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.585 -12.072 7.694 1.00 0.00 O ATOM 0 H ASP A 58 -10.758 -9.713 5.969 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.913 -12.637 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.645 -11.490 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.717 -10.456 7.506 1.00 0.00 H new ATOM 920 N ASP A 59 -12.849 -10.685 4.668 1.00 0.00 N ATOM 921 CA ASP A 59 -13.721 -10.631 3.500 1.00 0.00 C ATOM 922 C ASP A 59 -13.167 -9.692 2.441 1.00 0.00 C ATOM 923 O ASP A 59 -13.781 -9.494 1.387 1.00 0.00 O ATOM 924 CB ASP A 59 -15.129 -10.181 3.901 1.00 0.00 C ATOM 925 CG ASP A 59 -15.178 -8.772 4.441 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.730 -8.544 5.588 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.672 -7.865 3.745 1.00 0.00 O ATOM 0 H ASP A 59 -12.731 -9.790 5.142 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.770 -11.636 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.786 -10.253 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.520 -10.865 4.655 1.00 0.00 H new ATOM 932 N ARG A 60 -12.010 -9.122 2.717 1.00 0.00 N ATOM 933 CA ARG A 60 -11.351 -8.235 1.811 1.00 0.00 C ATOM 934 C ARG A 60 -10.837 -9.017 0.618 1.00 0.00 C ATOM 935 O ARG A 60 -10.403 -10.168 0.753 1.00 0.00 O ATOM 936 CB ARG A 60 -10.202 -7.556 2.545 1.00 0.00 C ATOM 937 CG ARG A 60 -9.263 -6.731 1.696 1.00 0.00 C ATOM 938 CD ARG A 60 -9.945 -5.540 1.015 1.00 0.00 C ATOM 939 NE ARG A 60 -10.406 -4.518 1.956 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.272 -3.536 1.658 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.852 -3.489 0.456 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.540 -2.590 2.557 1.00 0.00 N ATOM 0 H ARG A 60 -11.505 -9.271 3.590 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.045 -7.476 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.622 -6.911 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.619 -8.324 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.448 -6.365 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.818 -7.370 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.248 -5.086 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.795 -5.900 0.436 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.043 -4.554 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.638 -4.202 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.509 -2.741 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.087 -2.612 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.198 -1.844 2.331 1.00 0.00 H new ATOM 956 N GLU A 61 -10.931 -8.405 -0.516 1.00 0.00 N ATOM 957 CA GLU A 61 -10.473 -8.973 -1.749 1.00 0.00 C ATOM 958 C GLU A 61 -8.950 -9.046 -1.752 1.00 0.00 C ATOM 959 O GLU A 61 -8.259 -8.129 -1.284 1.00 0.00 O ATOM 960 CB GLU A 61 -10.996 -8.158 -2.945 1.00 0.00 C ATOM 961 CG GLU A 61 -10.624 -8.718 -4.312 1.00 0.00 C ATOM 962 CD GLU A 61 -11.043 -10.155 -4.480 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.167 -10.414 -4.921 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.244 -11.052 -4.169 1.00 0.00 O ATOM 0 H GLU A 61 -11.337 -7.475 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.864 -9.986 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.082 -8.096 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.613 -7.140 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.092 -8.113 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.546 -8.638 -4.453 1.00 0.00 H new ATOM 971 N ASP A 62 -8.459 -10.119 -2.280 1.00 0.00 N ATOM 972 CA ASP A 62 -7.050 -10.409 -2.352 1.00 0.00 C ATOM 973 C ASP A 62 -6.534 -9.939 -3.707 1.00 0.00 C ATOM 974 O ASP A 62 -6.265 -10.738 -4.613 1.00 0.00 O ATOM 975 CB ASP A 62 -6.847 -11.935 -2.143 1.00 0.00 C ATOM 976 CG ASP A 62 -5.420 -12.444 -2.292 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.593 -12.234 -1.394 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.125 -13.128 -3.302 1.00 0.00 O ATOM 0 H ASP A 62 -9.042 -10.849 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.489 -9.888 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.203 -12.196 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.478 -12.466 -2.856 1.00 0.00 H new ATOM 983 N SER A 63 -6.517 -8.638 -3.900 1.00 0.00 N ATOM 984 CA SER A 63 -6.063 -8.097 -5.144 1.00 0.00 C ATOM 985 C SER A 63 -5.240 -6.848 -4.891 1.00 0.00 C ATOM 986 O SER A 63 -5.392 -6.223 -3.828 1.00 0.00 O ATOM 987 CB SER A 63 -7.284 -7.756 -6.011 1.00 0.00 C ATOM 988 OG SER A 63 -8.121 -6.796 -5.367 1.00 0.00 O ATOM 0 H SER A 63 -6.812 -7.946 -3.211 1.00 0.00 H new ATOM 0 HA SER A 63 -5.440 -8.827 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.953 -7.366 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.854 -8.662 -6.213 1.00 0.00 H new ATOM 0 HG SER A 63 -8.890 -6.595 -5.941 1.00 0.00 H new ATOM 994 N PRO A 64 -4.311 -6.492 -5.814 1.00 0.00 N ATOM 995 CA PRO A 64 -3.597 -5.221 -5.764 1.00 0.00 C ATOM 996 C PRO A 64 -4.566 -4.024 -5.524 1.00 0.00 C ATOM 997 O PRO A 64 -4.245 -3.114 -4.765 1.00 0.00 O ATOM 998 CB PRO A 64 -2.890 -5.161 -7.143 1.00 0.00 C ATOM 999 CG PRO A 64 -2.630 -6.589 -7.458 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.810 -7.355 -6.912 1.00 0.00 C ATOM 0 HA PRO A 64 -2.892 -5.151 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.521 -4.691 -7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.966 -4.585 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.530 -6.740 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.700 -6.927 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.572 -7.515 -7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.515 -8.338 -6.546 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.767 -4.053 -6.131 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.754 -2.997 -5.861 1.00 0.00 C ATOM 1010 C GLU A 65 -7.305 -3.089 -4.450 1.00 0.00 C ATOM 1011 O GLU A 65 -7.400 -2.081 -3.754 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.925 -2.978 -6.841 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.590 -2.544 -8.243 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.823 -2.319 -9.063 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.426 -3.309 -9.541 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.224 -1.145 -9.249 1.00 0.00 O ATOM 0 H GLU A 65 -6.069 -4.771 -6.790 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.198 -2.068 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.358 -3.978 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.694 -2.314 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.003 -1.626 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.969 -3.302 -8.720 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.659 -4.294 -4.034 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.264 -4.501 -2.730 1.00 0.00 C ATOM 1025 C GLY A 66 -7.361 -4.132 -1.572 1.00 0.00 C ATOM 1026 O GLY A 66 -7.821 -3.582 -0.564 1.00 0.00 O ATOM 0 H GLY A 66 -7.537 -5.145 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.179 -3.912 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.551 -5.548 -2.635 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.087 -4.412 -1.714 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.110 -4.073 -0.690 1.00 0.00 C ATOM 1032 C ILE A 67 -4.970 -2.547 -0.557 1.00 0.00 C ATOM 1033 O ILE A 67 -4.953 -2.006 0.559 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.747 -4.770 -0.965 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.933 -6.300 -0.851 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.658 -4.269 -0.009 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.706 -7.121 -1.183 1.00 0.00 C ATOM 0 H ILE A 67 -5.695 -4.877 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.467 -4.449 0.269 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.417 -4.522 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.246 -6.538 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.744 -6.602 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.719 -4.777 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.528 -3.194 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.952 -4.479 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.937 -8.181 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.401 -6.920 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.895 -6.854 -0.505 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.924 -1.856 -1.695 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.903 -0.394 -1.701 1.00 0.00 C ATOM 1051 C VAL A 68 -6.179 0.133 -1.112 1.00 0.00 C ATOM 1052 O VAL A 68 -6.165 1.066 -0.328 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.759 0.190 -3.130 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.965 1.728 -3.145 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.410 -0.180 -3.709 1.00 0.00 C ATOM 0 H VAL A 68 -4.901 -2.283 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.038 -0.089 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.541 -0.245 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.856 2.100 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.963 1.965 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.220 2.201 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.319 0.235 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.619 0.224 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.319 -1.265 -3.755 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.273 -0.499 -1.482 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.586 -0.087 -1.079 1.00 0.00 C ATOM 1067 C LYS A 69 -8.713 -0.056 0.414 1.00 0.00 C ATOM 1068 O LYS A 69 -9.326 0.856 0.956 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.621 -1.014 -1.624 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.959 -0.354 -1.744 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.255 0.000 -3.196 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.302 1.089 -3.739 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.575 1.469 -5.150 1.00 0.00 N ATOM 0 H LYS A 69 -7.267 -1.325 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.741 0.917 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.305 -1.374 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.704 -1.886 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.734 -1.018 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.982 0.548 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.168 -0.896 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.285 0.346 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.382 1.976 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.275 0.734 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.934 2.238 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.422 0.646 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.560 1.790 -5.239 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.120 -1.041 1.066 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.151 -1.126 2.499 1.00 0.00 C ATOM 1089 C GLU A 70 -7.485 0.115 3.077 1.00 0.00 C ATOM 1090 O GLU A 70 -8.107 0.865 3.804 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.437 -2.388 2.978 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.737 -2.734 4.419 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.190 -3.072 4.607 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.018 -2.174 4.806 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.552 -4.260 4.525 1.00 0.00 O ATOM 0 H GLU A 70 -7.608 -1.797 0.611 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.185 -1.179 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.727 -3.225 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.362 -2.256 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.122 -3.579 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.471 -1.894 5.060 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.247 0.354 2.657 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.468 1.511 3.089 1.00 0.00 C ATOM 1104 C ILE A 71 -6.175 2.824 2.756 1.00 0.00 C ATOM 1105 O ILE A 71 -6.255 3.729 3.582 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.069 1.488 2.429 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.269 0.355 3.038 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.334 2.822 2.608 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.983 0.088 2.357 1.00 0.00 C ATOM 0 H ILE A 71 -5.752 -0.253 2.003 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.362 1.451 4.172 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.186 1.333 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.072 0.586 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.873 -0.552 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.356 2.765 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.915 3.622 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.208 3.028 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.472 -0.737 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.170 -0.176 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.357 0.980 2.398 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.708 2.886 1.558 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.358 4.064 1.030 1.00 0.00 C ATOM 1123 C LYS A 72 -8.587 4.413 1.867 1.00 0.00 C ATOM 1124 O LYS A 72 -8.681 5.517 2.406 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.709 3.826 -0.465 1.00 0.00 C ATOM 1126 CG LYS A 72 -7.995 5.085 -1.288 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.365 5.671 -1.078 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.445 4.876 -1.792 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.781 5.494 -1.643 1.00 0.00 N ATOM 0 H LYS A 72 -6.702 2.100 0.908 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.686 4.920 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.884 3.289 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.582 3.175 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.249 5.841 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.873 4.848 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.585 5.703 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.377 6.700 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.198 4.799 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.469 3.861 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.430 5.092 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.147 5.304 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.706 6.521 -1.787 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.497 3.458 2.017 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.716 3.675 2.785 1.00 0.00 C ATOM 1145 C GLU A 73 -10.403 3.906 4.273 1.00 0.00 C ATOM 1146 O GLU A 73 -11.078 4.689 4.949 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.662 2.491 2.585 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.188 2.375 1.152 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.246 3.404 0.833 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.915 4.584 0.586 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.446 3.046 0.803 1.00 0.00 O ATOM 0 H GLU A 73 -9.413 2.524 1.616 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.208 4.578 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.142 1.570 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.506 2.589 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.358 2.486 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.600 1.377 1.001 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.371 3.253 4.759 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.939 3.372 6.142 1.00 0.00 C ATOM 1160 C TRP A 74 -8.339 4.768 6.406 1.00 0.00 C ATOM 1161 O TRP A 74 -8.759 5.466 7.335 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.937 2.251 6.431 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.376 2.160 7.812 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.879 1.470 8.869 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.160 2.732 8.250 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.038 1.591 9.943 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.970 2.359 9.582 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.222 3.523 7.629 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.856 2.755 10.307 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.117 3.933 8.314 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.929 3.543 9.653 1.00 0.00 C ATOM 0 H TRP A 74 -8.799 2.617 4.203 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.789 3.268 6.816 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.421 1.301 6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.104 2.359 5.737 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.803 0.911 8.863 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.186 1.175 10.862 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.361 3.819 6.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.719 2.460 11.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.384 4.559 7.828 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.043 3.866 10.179 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.392 5.191 5.575 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.751 6.502 5.723 1.00 0.00 C ATOM 1184 C ARG A 75 -7.727 7.634 5.540 1.00 0.00 C ATOM 1185 O ARG A 75 -7.657 8.626 6.255 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.524 6.652 4.818 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.346 5.848 5.334 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.092 6.028 4.528 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.782 7.430 4.269 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.887 8.171 4.943 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.221 7.665 5.967 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.680 9.411 4.584 1.00 0.00 N ATOM 0 H ARG A 75 -7.047 4.644 4.786 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.392 6.558 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.774 6.325 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.246 7.704 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.147 6.134 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.614 4.791 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.257 5.568 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.197 5.503 3.579 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.289 7.887 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.384 6.700 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.544 8.240 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.196 9.807 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.003 9.982 5.089 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.673 7.454 4.642 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.701 8.454 4.400 1.00 0.00 C ATOM 1208 C ALA A 76 -10.631 8.602 5.615 1.00 0.00 C ATOM 1209 O ALA A 76 -11.148 9.684 5.886 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.501 8.101 3.153 1.00 0.00 C ATOM 0 H ALA A 76 -8.754 6.619 4.062 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.208 9.413 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.266 8.859 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.834 8.062 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.976 7.129 3.288 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.797 7.519 6.369 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.678 7.515 7.535 1.00 0.00 C ATOM 1218 C ALA A 77 -10.942 8.082 8.713 1.00 0.00 C ATOM 1219 O ALA A 77 -11.510 8.723 9.585 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.136 6.104 7.844 1.00 0.00 C ATOM 0 H ALA A 77 -10.331 6.629 6.193 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.556 8.126 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.791 6.117 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.678 5.702 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.269 5.477 8.052 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.666 7.831 8.714 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.767 8.293 9.747 1.00 0.00 C ATOM 1228 C ASN A 78 -8.431 9.773 9.578 1.00 0.00 C ATOM 1229 O ASN A 78 -7.870 10.394 10.471 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.490 7.443 9.743 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.589 6.156 10.563 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.253 6.129 11.738 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.042 5.095 9.960 1.00 0.00 N ATOM 0 H ASN A 78 -9.205 7.288 7.984 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.267 8.182 10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.242 7.186 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.666 8.044 10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.123 4.215 10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.316 5.144 8.979 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.767 10.324 8.422 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.512 11.727 8.159 1.00 0.00 C ATOM 1242 C GLY A 79 -7.092 11.969 7.705 1.00 0.00 C ATOM 1243 O GLY A 79 -6.617 13.104 7.680 1.00 0.00 O ATOM 0 H GLY A 79 -9.215 9.822 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.203 12.084 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.708 12.306 9.061 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.434 10.903 7.308 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.078 10.943 6.875 1.00 0.00 C ATOM 1249 C LYS A 80 -5.008 11.375 5.431 1.00 0.00 C ATOM 1250 O LYS A 80 -6.026 11.366 4.730 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.450 9.586 7.066 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.264 9.200 8.529 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.569 7.866 8.655 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.371 7.440 10.114 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.537 8.394 10.885 1.00 0.00 N ATOM 0 H LYS A 80 -6.846 9.970 7.281 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.525 11.669 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.071 8.835 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.480 9.570 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.681 9.967 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.235 9.156 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.152 7.106 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.599 7.918 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.345 7.345 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.905 6.455 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.115 7.906 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.781 8.766 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.129 9.180 11.221 1.00 0.00 H new ATOM 1269 N SER A 81 -3.830 11.733 4.998 1.00 0.00 N ATOM 1270 CA SER A 81 -3.585 12.249 3.685 1.00 0.00 C ATOM 1271 C SER A 81 -4.000 11.236 2.602 1.00 0.00 C ATOM 1272 O SER A 81 -3.743 10.023 2.735 1.00 0.00 O ATOM 1273 CB SER A 81 -2.113 12.525 3.605 1.00 0.00 C ATOM 1274 OG SER A 81 -1.670 13.172 4.788 1.00 0.00 O ATOM 0 H SER A 81 -2.988 11.670 5.571 1.00 0.00 H new ATOM 0 HA SER A 81 -4.170 13.152 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.568 11.591 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.900 13.150 2.738 1.00 0.00 H new ATOM 0 HG SER A 81 -0.708 13.346 4.725 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.613 11.728 1.552 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.105 10.871 0.489 1.00 0.00 C ATOM 1282 C GLY A 82 -4.085 10.733 -0.607 1.00 0.00 C ATOM 1283 O GLY A 82 -2.915 10.963 -0.372 1.00 0.00 O ATOM 0 H GLY A 82 -4.786 12.723 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.346 9.887 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.028 11.284 0.082 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.508 10.348 -1.784 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.625 10.249 -2.902 1.00 0.00 C ATOM 1289 C PHE A 83 -3.698 11.516 -3.752 1.00 0.00 C ATOM 1290 O PHE A 83 -4.462 12.445 -3.441 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.945 9.011 -3.745 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.836 7.726 -3.001 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.631 7.335 -2.459 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.931 6.905 -2.849 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.523 6.152 -1.777 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.822 5.715 -2.167 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.619 5.340 -1.630 1.00 0.00 C ATOM 0 H PHE A 83 -5.475 10.096 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.608 10.144 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.956 9.105 -4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.270 8.982 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.763 7.968 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.882 7.197 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.574 5.858 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.686 5.076 -2.055 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.533 4.407 -1.092 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.910 11.559 -4.794 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.853 12.686 -5.704 1.00 0.00 C ATOM 1309 C LYS A 84 -3.992 12.657 -6.702 1.00 0.00 C ATOM 1310 O LYS A 84 -4.298 11.608 -7.284 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.529 12.671 -6.473 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.400 13.775 -7.527 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.163 13.595 -8.394 1.00 0.00 C ATOM 1314 CE LYS A 84 1.120 13.659 -7.592 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.329 14.974 -6.948 1.00 0.00 N ATOM 0 H LYS A 84 -2.276 10.800 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.935 13.593 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.708 12.766 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.417 11.703 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.288 13.778 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.358 14.745 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.219 12.635 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.146 14.367 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.103 12.883 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.964 13.442 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.303 15.033 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.172 15.730 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.660 15.085 -6.159 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.604 13.797 -6.908 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.620 13.942 -7.928 1.00 0.00 C ATOM 1331 C GLN A 85 -4.981 14.222 -9.287 1.00 0.00 C ATOM 1332 O GLN A 85 -4.930 15.336 -9.769 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.751 14.936 -7.515 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.305 16.126 -6.648 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.564 17.237 -7.371 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -5.825 17.557 -8.529 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -4.600 17.796 -6.707 1.00 0.00 N ATOM 0 H GLN A 85 -4.415 14.648 -6.378 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.143 12.992 -8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.218 15.324 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.517 14.382 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.187 16.554 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.665 15.749 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.408 17.509 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.034 18.523 -7.145 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.400 13.197 -9.831 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.718 13.297 -11.080 1.00 0.00 C ATOM 1348 C GLY A 86 -4.374 12.432 -12.092 1.00 0.00 C ATOM 1349 O GLY A 86 -5.244 12.917 -12.841 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.102 11.237 -12.110 1.00 0.00 O ATOM 0 H GLY A 86 -4.387 12.265 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.718 14.332 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.676 13.001 -10.959 1.00 0.00 H new TER 1354 GLY A 86