USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 78 ASN : amide:sc= -0.494 X(o=0.33,f=0.49) USER MOD Set 1.2: A 82 THR OG1 : rot -75:sc= 0.821 USER MOD Set 2.1: A 45 SER OG : rot 82:sc= 0.396 USER MOD Set 2.2: A 81 TYR OH : rot 30:sc= 0 USER MOD Set 2.3: A 124 GLN : amide:sc= 0.37 K(o=0.77,f=0.046) USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0.417 USER MOD Set 3.2: A 67 LYS NZ :NH3+ -162:sc= 0.818 (180deg=-0.323) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.4 (180deg=1.4) USER MOD Single : A 28 GLN : amide:sc= -0.0905 K(o=-0.091,f=0.53) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.77 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 46:sc= 1.08 USER MOD Single : A 43 TYR OH : rot -149:sc= 0.652 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 46:sc= 0.398 USER MOD Single : A 57 SER OG : rot 114:sc= 1.45 USER MOD Single : A 64 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.075) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 72 TYR OH : rot 59:sc= 0.213 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 86 THR OG1 : rot 113:sc= 1.13 USER MOD Single : A 90 HIS : no HE2:sc= -0.686 X(o=-0.69,f=-0.42) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.543) USER MOD Single : A 100 SER OG : rot -140:sc= -0.0807 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 124:sc= 0.48 USER MOD Single : A 107 SER OG : rot -64:sc= 1.65 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.701 K(o=0.7,f=-0.12) USER MOD Single : A 114 THR OG1 : rot -81:sc= -0.754 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= 0.883 (180deg=-0.662!) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.155 18.885 11.106 1.00 0.00 N ATOM 2 CA GLY A 19 1.062 19.516 10.144 1.00 0.00 C ATOM 3 C GLY A 19 1.449 18.530 9.091 1.00 0.00 C ATOM 4 O GLY A 19 0.829 18.473 8.020 1.00 0.00 O ATOM 0 HA2 GLY A 19 0.578 20.379 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.952 19.883 10.656 1.00 0.00 H new ATOM 10 N ALA A 20 2.453 17.737 9.365 1.00 0.00 N ATOM 11 CA ALA A 20 2.797 16.659 8.478 1.00 0.00 C ATOM 12 C ALA A 20 1.950 15.467 8.874 1.00 0.00 C ATOM 13 O ALA A 20 2.388 14.571 9.604 1.00 0.00 O ATOM 14 CB ALA A 20 4.283 16.333 8.520 1.00 0.00 C ATOM 0 H ALA A 20 3.044 17.818 10.192 1.00 0.00 H new ATOM 0 HA ALA A 20 2.594 16.945 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.495 15.513 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.857 17.211 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.563 16.041 9.532 1.00 0.00 H new ATOM 20 N ASP A 21 0.698 15.523 8.482 1.00 0.00 N ATOM 21 CA ASP A 21 -0.270 14.526 8.880 1.00 0.00 C ATOM 22 C ASP A 21 -0.151 13.286 8.035 1.00 0.00 C ATOM 23 O ASP A 21 -0.497 12.184 8.472 1.00 0.00 O ATOM 24 CB ASP A 21 -1.697 15.103 8.873 1.00 0.00 C ATOM 25 CG ASP A 21 -1.897 16.173 9.942 1.00 0.00 C ATOM 26 OD1 ASP A 21 -1.584 17.363 9.698 1.00 0.00 O ATOM 27 OD2 ASP A 21 -2.355 15.844 11.060 1.00 0.00 O ATOM 0 H ASP A 21 0.323 16.257 7.881 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.052 14.232 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.909 15.529 7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.413 14.296 9.032 1.00 0.00 H new ATOM 32 N SER A 22 0.366 13.443 6.846 1.00 0.00 N ATOM 33 CA SER A 22 0.690 12.310 6.037 1.00 0.00 C ATOM 34 C SER A 22 1.982 11.743 6.622 1.00 0.00 C ATOM 35 O SER A 22 2.963 12.478 6.760 1.00 0.00 O ATOM 36 CB SER A 22 0.902 12.763 4.591 1.00 0.00 C ATOM 37 OG SER A 22 -0.227 13.495 4.119 1.00 0.00 O ATOM 0 H SER A 22 0.570 14.347 6.420 1.00 0.00 H new ATOM 0 HA SER A 22 -0.101 11.561 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.796 13.383 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.070 11.895 3.954 1.00 0.00 H new ATOM 0 HG SER A 22 -0.071 13.777 3.194 1.00 0.00 H new ATOM 43 N CYS A 23 2.007 10.482 6.976 1.00 0.00 N ATOM 44 CA CYS A 23 3.167 9.964 7.648 1.00 0.00 C ATOM 45 C CYS A 23 4.039 9.172 6.713 1.00 0.00 C ATOM 46 O CYS A 23 3.569 8.582 5.720 1.00 0.00 O ATOM 47 CB CYS A 23 2.789 9.159 8.908 1.00 0.00 C ATOM 48 SG CYS A 23 1.625 7.786 8.624 1.00 0.00 S ATOM 0 H CYS A 23 1.256 9.811 6.814 1.00 0.00 H new ATOM 0 HA CYS A 23 3.753 10.818 7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.700 8.757 9.351 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.353 9.840 9.639 1.00 0.00 H new ATOM 53 N LYS A 24 5.308 9.201 7.008 1.00 0.00 N ATOM 54 CA LYS A 24 6.316 8.581 6.213 1.00 0.00 C ATOM 55 C LYS A 24 6.238 7.066 6.415 1.00 0.00 C ATOM 56 O LYS A 24 6.016 6.608 7.531 1.00 0.00 O ATOM 57 CB LYS A 24 7.668 9.111 6.683 1.00 0.00 C ATOM 58 CG LYS A 24 8.822 8.934 5.723 1.00 0.00 C ATOM 59 CD LYS A 24 8.678 9.824 4.499 1.00 0.00 C ATOM 60 CE LYS A 24 9.944 9.787 3.683 1.00 0.00 C ATOM 61 NZ LYS A 24 9.941 10.732 2.544 1.00 0.00 N ATOM 0 H LYS A 24 5.675 9.673 7.835 1.00 0.00 H new ATOM 0 HA LYS A 24 6.180 8.802 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.563 10.174 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.923 8.617 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.758 9.165 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.878 7.891 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.835 9.490 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.464 10.847 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.791 10.014 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.094 8.776 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.840 10.655 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.153 10.503 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.828 11.703 2.899 1.00 0.00 H new ATOM 75 N TYR A 25 6.409 6.313 5.328 1.00 0.00 N ATOM 76 CA TYR A 25 6.370 4.840 5.341 1.00 0.00 C ATOM 77 C TYR A 25 5.035 4.282 5.849 1.00 0.00 C ATOM 78 O TYR A 25 4.998 3.237 6.497 1.00 0.00 O ATOM 79 CB TYR A 25 7.527 4.267 6.163 1.00 0.00 C ATOM 80 CG TYR A 25 8.890 4.643 5.651 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.654 5.584 6.306 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.414 4.046 4.522 1.00 0.00 C ATOM 83 CE1 TYR A 25 10.909 5.926 5.855 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.666 4.381 4.055 1.00 0.00 C ATOM 85 CZ TYR A 25 11.411 5.326 4.731 1.00 0.00 C ATOM 86 OH TYR A 25 12.670 5.662 4.288 1.00 0.00 O ATOM 0 H TYR A 25 6.580 6.706 4.403 1.00 0.00 H new ATOM 0 HA TYR A 25 6.476 4.524 4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.431 4.609 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.444 3.180 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.261 6.063 7.191 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.832 3.304 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.494 6.663 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.061 3.908 3.168 1.00 0.00 H new ATOM 0 HH TYR A 25 12.881 5.148 3.480 1.00 0.00 H new ATOM 96 N CYS A 26 3.954 4.924 5.496 1.00 0.00 N ATOM 97 CA CYS A 26 2.654 4.448 5.906 1.00 0.00 C ATOM 98 C CYS A 26 1.821 4.223 4.673 1.00 0.00 C ATOM 99 O CYS A 26 1.958 4.951 3.690 1.00 0.00 O ATOM 100 CB CYS A 26 1.916 5.491 6.747 1.00 0.00 C ATOM 101 SG CYS A 26 2.810 6.202 8.150 1.00 0.00 S ATOM 0 H CYS A 26 3.943 5.772 4.930 1.00 0.00 H new ATOM 0 HA CYS A 26 2.797 3.539 6.490 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.617 6.306 6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.001 5.035 7.125 1.00 0.00 H new ATOM 106 N LEU A 27 0.985 3.234 4.711 1.00 0.00 N ATOM 107 CA LEU A 27 0.063 3.000 3.647 1.00 0.00 C ATOM 108 C LEU A 27 -1.206 3.696 4.026 1.00 0.00 C ATOM 109 O LEU A 27 -1.797 3.389 5.066 1.00 0.00 O ATOM 110 CB LEU A 27 -0.190 1.508 3.460 1.00 0.00 C ATOM 111 CG LEU A 27 -1.098 1.101 2.307 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.556 1.574 0.977 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.250 -0.374 2.289 1.00 0.00 C ATOM 0 H LEU A 27 0.923 2.567 5.480 1.00 0.00 H new ATOM 0 HA LEU A 27 0.459 3.376 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.773 1.015 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.619 1.119 4.383 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.068 1.573 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.231 1.265 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.475 2.661 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.429 1.137 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.900 -0.663 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.272 -0.839 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.689 -0.706 3.230 1.00 0.00 H new ATOM 125 N GLN A 28 -1.594 4.662 3.259 1.00 0.00 N ATOM 126 CA GLN A 28 -2.773 5.400 3.585 1.00 0.00 C ATOM 127 C GLN A 28 -3.824 5.098 2.570 1.00 0.00 C ATOM 128 O GLN A 28 -3.597 5.223 1.350 1.00 0.00 O ATOM 129 CB GLN A 28 -2.455 6.883 3.596 1.00 0.00 C ATOM 130 CG GLN A 28 -1.354 7.251 4.580 1.00 0.00 C ATOM 131 CD GLN A 28 -0.782 8.628 4.322 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.222 9.624 4.883 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.185 8.696 3.445 1.00 0.00 N ATOM 0 H GLN A 28 -1.117 4.958 2.408 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.135 5.116 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.157 7.192 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.358 7.440 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.750 7.210 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.555 6.512 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.528 7.846 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.597 9.599 3.209 1.00 0.00 H new ATOM 142 N LEU A 29 -4.940 4.665 3.049 1.00 0.00 N ATOM 143 CA LEU A 29 -6.042 4.364 2.206 1.00 0.00 C ATOM 144 C LEU A 29 -7.117 5.389 2.413 1.00 0.00 C ATOM 145 O LEU A 29 -7.494 5.659 3.550 1.00 0.00 O ATOM 146 CB LEU A 29 -6.541 2.941 2.421 1.00 0.00 C ATOM 147 CG LEU A 29 -5.468 1.851 2.263 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.859 1.437 3.591 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.995 0.666 1.530 1.00 0.00 C ATOM 0 H LEU A 29 -5.113 4.510 4.042 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.722 4.410 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.969 2.868 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.347 2.743 1.714 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.669 2.292 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.108 0.665 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.392 2.302 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.640 1.046 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.209 -0.084 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.837 0.243 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.325 0.970 0.537 1.00 0.00 H new ATOM 161 N TYR A 30 -7.586 5.950 1.344 1.00 0.00 N ATOM 162 CA TYR A 30 -8.535 7.038 1.378 1.00 0.00 C ATOM 163 C TYR A 30 -9.941 6.551 1.198 1.00 0.00 C ATOM 164 O TYR A 30 -10.169 5.507 0.592 1.00 0.00 O ATOM 165 CB TYR A 30 -8.169 8.059 0.316 1.00 0.00 C ATOM 166 CG TYR A 30 -6.866 8.764 0.621 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.649 8.223 0.212 1.00 0.00 C ATOM 168 CD2 TYR A 30 -6.845 9.951 1.340 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.456 8.844 0.513 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.651 10.584 1.638 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.460 10.024 1.223 1.00 0.00 C ATOM 172 OH TYR A 30 -3.267 10.647 1.524 1.00 0.00 O ATOM 0 H TYR A 30 -7.321 5.666 0.401 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.489 7.510 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.093 7.562 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.968 8.796 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.640 7.301 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.775 10.388 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.522 8.407 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.651 11.511 2.192 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.445 11.469 2.028 1.00 0.00 H new ATOM 182 N ASP A 31 -10.886 7.301 1.725 1.00 0.00 N ATOM 183 CA ASP A 31 -12.287 6.904 1.662 1.00 0.00 C ATOM 184 C ASP A 31 -12.843 7.102 0.279 1.00 0.00 C ATOM 185 O ASP A 31 -13.575 6.252 -0.239 1.00 0.00 O ATOM 186 CB ASP A 31 -13.170 7.646 2.670 1.00 0.00 C ATOM 187 CG ASP A 31 -12.848 7.364 4.111 1.00 0.00 C ATOM 188 OD1 ASP A 31 -12.413 8.292 4.815 1.00 0.00 O ATOM 189 OD2 ASP A 31 -13.048 6.217 4.587 1.00 0.00 O ATOM 0 H ASP A 31 -10.716 8.187 2.201 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.305 5.846 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.078 8.718 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.211 7.381 2.485 1.00 0.00 H new ATOM 194 N GLU A 32 -12.490 8.198 -0.321 1.00 0.00 N ATOM 195 CA GLU A 32 -12.921 8.513 -1.647 1.00 0.00 C ATOM 196 C GLU A 32 -11.747 8.363 -2.568 1.00 0.00 C ATOM 197 O GLU A 32 -10.650 8.047 -2.116 1.00 0.00 O ATOM 198 CB GLU A 32 -13.493 9.931 -1.720 1.00 0.00 C ATOM 199 CG GLU A 32 -14.811 10.123 -0.984 1.00 0.00 C ATOM 200 CD GLU A 32 -15.268 11.566 -0.976 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.523 12.114 0.123 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.349 12.198 -2.060 1.00 0.00 O ATOM 0 H GLU A 32 -11.889 8.905 0.101 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.719 7.833 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.759 10.626 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.635 10.198 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.578 9.505 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.704 9.774 0.043 1.00 0.00 H new ATOM 209 N THR A 33 -11.959 8.564 -3.831 1.00 0.00 N ATOM 210 CA THR A 33 -10.929 8.420 -4.791 1.00 0.00 C ATOM 211 C THR A 33 -10.094 9.695 -4.827 1.00 0.00 C ATOM 212 O THR A 33 -10.458 10.693 -4.168 1.00 0.00 O ATOM 213 CB THR A 33 -11.586 8.149 -6.150 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.735 8.996 -6.250 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.045 6.707 -6.280 1.00 0.00 C ATOM 0 H THR A 33 -12.862 8.835 -4.220 1.00 0.00 H new ATOM 0 HA THR A 33 -10.267 7.592 -4.539 1.00 0.00 H new ATOM 0 HB THR A 33 -10.857 8.344 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.448 9.917 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.505 6.558 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.188 6.042 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.773 6.485 -5.499 1.00 0.00 H new ATOM 223 N TYR A 34 -8.985 9.665 -5.586 1.00 0.00 N ATOM 224 CA TYR A 34 -8.070 10.813 -5.766 1.00 0.00 C ATOM 225 C TYR A 34 -7.684 11.508 -4.450 1.00 0.00 C ATOM 226 O TYR A 34 -7.548 12.735 -4.396 1.00 0.00 O ATOM 227 CB TYR A 34 -8.551 11.810 -6.881 1.00 0.00 C ATOM 228 CG TYR A 34 -10.008 12.237 -6.811 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.399 13.397 -6.167 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.992 11.458 -7.389 1.00 0.00 C ATOM 231 CE1 TYR A 34 -11.729 13.756 -6.104 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.309 11.805 -7.327 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.679 12.949 -6.685 1.00 0.00 C ATOM 234 OH TYR A 34 -14.012 13.297 -6.627 1.00 0.00 O ATOM 0 H TYR A 34 -8.692 8.834 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.139 10.384 -6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.929 12.704 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.375 11.349 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.654 14.029 -5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.711 10.551 -7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.023 14.666 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.057 11.175 -7.785 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.548 12.618 -7.088 1.00 0.00 H new ATOM 244 N GLU A 35 -7.479 10.689 -3.411 1.00 0.00 N ATOM 245 CA GLU A 35 -7.049 11.119 -2.082 1.00 0.00 C ATOM 246 C GLU A 35 -8.087 11.944 -1.344 1.00 0.00 C ATOM 247 O GLU A 35 -7.755 12.718 -0.429 1.00 0.00 O ATOM 248 CB GLU A 35 -5.682 11.817 -2.119 1.00 0.00 C ATOM 249 CG GLU A 35 -4.492 10.870 -2.280 1.00 0.00 C ATOM 250 CD GLU A 35 -4.554 9.994 -3.499 1.00 0.00 C ATOM 251 OE1 GLU A 35 -5.128 8.876 -3.412 1.00 0.00 O ATOM 252 OE2 GLU A 35 -4.032 10.412 -4.555 1.00 0.00 O ATOM 0 H GLU A 35 -7.613 9.680 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.935 10.204 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.675 12.532 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.554 12.388 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.577 11.460 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.426 10.236 -1.396 1.00 0.00 H new ATOM 259 N ARG A 36 -9.333 11.751 -1.679 1.00 0.00 N ATOM 260 CA ARG A 36 -10.385 12.448 -0.999 1.00 0.00 C ATOM 261 C ARG A 36 -10.930 11.701 0.201 1.00 0.00 C ATOM 262 O ARG A 36 -10.796 10.468 0.325 1.00 0.00 O ATOM 263 CB ARG A 36 -11.522 12.827 -1.909 1.00 0.00 C ATOM 264 CG ARG A 36 -11.421 14.208 -2.491 1.00 0.00 C ATOM 265 CD ARG A 36 -12.803 14.669 -2.906 1.00 0.00 C ATOM 266 NE ARG A 36 -13.770 14.408 -1.819 1.00 0.00 N ATOM 267 CZ ARG A 36 -13.983 15.180 -0.740 1.00 0.00 C ATOM 268 NH1 ARG A 36 -13.409 16.379 -0.633 1.00 0.00 N ATOM 269 NH2 ARG A 36 -14.774 14.732 0.234 1.00 0.00 N ATOM 0 H ARG A 36 -9.642 11.118 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.907 13.359 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.574 12.106 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.457 12.748 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.999 14.896 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.750 14.207 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.785 15.733 -3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.112 14.148 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.330 13.559 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.799 16.721 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.580 16.954 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.210 13.813 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.944 15.308 1.058 1.00 0.00 H new ATOM 283 N GLY A 37 -11.559 12.459 1.072 1.00 0.00 N ATOM 284 CA GLY A 37 -12.160 11.922 2.244 1.00 0.00 C ATOM 285 C GLY A 37 -11.177 11.919 3.362 1.00 0.00 C ATOM 286 O GLY A 37 -10.451 12.900 3.559 1.00 0.00 O ATOM 0 H GLY A 37 -11.661 13.469 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.034 12.513 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.509 10.907 2.052 1.00 0.00 H new ATOM 290 N SER A 38 -11.140 10.864 4.090 1.00 0.00 N ATOM 291 CA SER A 38 -10.179 10.707 5.114 1.00 0.00 C ATOM 292 C SER A 38 -9.321 9.524 4.735 1.00 0.00 C ATOM 293 O SER A 38 -9.534 8.919 3.677 1.00 0.00 O ATOM 294 CB SER A 38 -10.871 10.488 6.455 1.00 0.00 C ATOM 295 OG SER A 38 -11.776 11.546 6.727 1.00 0.00 O ATOM 0 H SER A 38 -11.783 10.078 3.990 1.00 0.00 H new ATOM 0 HA SER A 38 -9.561 11.599 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.406 9.538 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.127 10.425 7.249 1.00 0.00 H new ATOM 0 HG SER A 38 -12.213 11.389 7.590 1.00 0.00 H new ATOM 301 N TYR A 39 -8.378 9.196 5.545 1.00 0.00 N ATOM 302 CA TYR A 39 -7.505 8.108 5.250 1.00 0.00 C ATOM 303 C TYR A 39 -7.214 7.355 6.515 1.00 0.00 C ATOM 304 O TYR A 39 -7.476 7.852 7.622 1.00 0.00 O ATOM 305 CB TYR A 39 -6.194 8.614 4.611 1.00 0.00 C ATOM 306 CG TYR A 39 -5.357 9.483 5.520 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.255 8.962 6.170 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.686 10.812 5.747 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.506 9.725 7.023 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.940 11.591 6.595 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.853 11.046 7.235 1.00 0.00 C ATOM 312 OH TYR A 39 -3.127 11.823 8.101 1.00 0.00 O ATOM 0 H TYR A 39 -8.187 9.670 6.428 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.990 7.445 4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.600 7.755 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.436 9.178 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.979 7.932 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.543 11.240 5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.651 9.299 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.205 12.625 6.758 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.170 11.688 7.938 1.00 0.00 H new ATOM 322 N ILE A 40 -6.689 6.195 6.364 1.00 0.00 N ATOM 323 CA ILE A 40 -6.297 5.380 7.472 1.00 0.00 C ATOM 324 C ILE A 40 -4.786 5.241 7.415 1.00 0.00 C ATOM 325 O ILE A 40 -4.197 5.359 6.334 1.00 0.00 O ATOM 326 CB ILE A 40 -6.968 3.973 7.394 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.694 3.156 8.670 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.477 3.224 6.158 1.00 0.00 C ATOM 329 CD1 ILE A 40 -7.413 1.825 8.727 1.00 0.00 C ATOM 0 H ILE A 40 -6.513 5.770 5.453 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.613 5.840 8.408 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.046 4.112 7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.621 2.979 8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.985 3.750 9.536 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.952 2.244 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.733 3.792 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.395 3.101 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.164 1.316 9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.489 1.991 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.104 1.208 7.883 1.00 0.00 H new ATOM 341 N GLU A 41 -4.166 5.038 8.535 1.00 0.00 N ATOM 342 CA GLU A 41 -2.753 4.862 8.564 1.00 0.00 C ATOM 343 C GLU A 41 -2.465 3.411 8.828 1.00 0.00 C ATOM 344 O GLU A 41 -2.976 2.827 9.798 1.00 0.00 O ATOM 345 CB GLU A 41 -2.161 5.679 9.688 1.00 0.00 C ATOM 346 CG GLU A 41 -2.410 7.163 9.600 1.00 0.00 C ATOM 347 CD GLU A 41 -2.068 7.844 10.888 1.00 0.00 C ATOM 348 OE1 GLU A 41 -0.891 8.209 11.099 1.00 0.00 O ATOM 349 OE2 GLU A 41 -2.969 7.992 11.751 1.00 0.00 O ATOM 0 H GLU A 41 -4.622 4.990 9.446 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.322 5.180 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.564 5.314 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.085 5.508 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.815 7.587 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.456 7.345 9.355 1.00 0.00 H new ATOM 356 N VAL A 42 -1.687 2.831 7.977 1.00 0.00 N ATOM 357 CA VAL A 42 -1.246 1.476 8.126 1.00 0.00 C ATOM 358 C VAL A 42 0.253 1.495 8.114 1.00 0.00 C ATOM 359 O VAL A 42 0.862 2.158 7.273 1.00 0.00 O ATOM 360 CB VAL A 42 -1.782 0.592 6.975 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.272 -0.829 7.077 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.294 0.599 6.964 1.00 0.00 C ATOM 0 H VAL A 42 -1.330 3.291 7.140 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.622 1.055 9.058 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.414 1.014 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.670 -1.419 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.183 -0.829 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.595 -1.264 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.655 -0.028 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.667 0.211 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.652 1.619 6.824 1.00 0.00 H new ATOM 372 N TYR A 43 0.838 0.808 9.039 1.00 0.00 N ATOM 373 CA TYR A 43 2.267 0.815 9.189 1.00 0.00 C ATOM 374 C TYR A 43 2.807 -0.570 8.917 1.00 0.00 C ATOM 375 O TYR A 43 3.866 -0.742 8.319 1.00 0.00 O ATOM 376 CB TYR A 43 2.620 1.233 10.614 1.00 0.00 C ATOM 377 CG TYR A 43 1.904 2.489 11.085 1.00 0.00 C ATOM 378 CD1 TYR A 43 0.800 2.393 11.922 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.320 3.756 10.697 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.133 3.513 12.362 1.00 0.00 C ATOM 381 CE2 TYR A 43 1.653 4.889 11.133 1.00 0.00 C ATOM 382 CZ TYR A 43 0.560 4.757 11.966 1.00 0.00 C ATOM 383 OH TYR A 43 -0.110 5.881 12.424 1.00 0.00 O ATOM 0 H TYR A 43 0.345 0.224 9.715 1.00 0.00 H new ATOM 0 HA TYR A 43 2.708 1.519 8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.380 0.414 11.292 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.696 1.395 10.678 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.457 1.418 12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.176 3.859 10.046 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.722 3.415 13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.986 5.869 10.823 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.061 6.589 11.748 1.00 0.00 H new ATOM 393 N LYS A 44 2.056 -1.555 9.312 1.00 0.00 N ATOM 394 CA LYS A 44 2.475 -2.918 9.157 1.00 0.00 C ATOM 395 C LYS A 44 1.480 -3.702 8.344 1.00 0.00 C ATOM 396 O LYS A 44 0.336 -3.282 8.197 1.00 0.00 O ATOM 397 CB LYS A 44 2.809 -3.577 10.526 1.00 0.00 C ATOM 398 CG LYS A 44 1.809 -3.373 11.648 1.00 0.00 C ATOM 399 CD LYS A 44 0.491 -4.058 11.426 1.00 0.00 C ATOM 400 CE LYS A 44 -0.374 -3.829 12.622 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.715 -4.454 12.505 1.00 0.00 N ATOM 0 H LYS A 44 1.141 -1.439 9.748 1.00 0.00 H new ATOM 0 HA LYS A 44 3.407 -2.925 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.926 -4.649 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.775 -3.197 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.244 -3.738 12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.634 -2.305 11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.008 -3.668 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.642 -5.126 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.127 -4.224 13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.493 -2.756 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.265 -4.259 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.211 -4.060 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.610 -5.482 12.387 1.00 0.00 H new ATOM 415 N SER A 45 1.912 -4.809 7.819 1.00 0.00 N ATOM 416 CA SER A 45 1.088 -5.647 7.003 1.00 0.00 C ATOM 417 C SER A 45 -0.013 -6.315 7.820 1.00 0.00 C ATOM 418 O SER A 45 0.159 -6.575 9.017 1.00 0.00 O ATOM 419 CB SER A 45 1.981 -6.664 6.322 1.00 0.00 C ATOM 420 OG SER A 45 2.938 -7.168 7.238 1.00 0.00 O ATOM 0 H SER A 45 2.861 -5.160 7.948 1.00 0.00 H new ATOM 0 HA SER A 45 0.579 -5.046 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.378 -7.482 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.487 -6.204 5.473 1.00 0.00 H new ATOM 0 HG SER A 45 2.532 -7.878 7.778 1.00 0.00 H new ATOM 426 N VAL A 46 -1.137 -6.537 7.197 1.00 0.00 N ATOM 427 CA VAL A 46 -2.250 -7.173 7.831 1.00 0.00 C ATOM 428 C VAL A 46 -2.607 -8.430 7.045 1.00 0.00 C ATOM 429 O VAL A 46 -2.726 -8.393 5.812 1.00 0.00 O ATOM 430 CB VAL A 46 -3.485 -6.220 7.963 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.067 -5.843 6.617 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.537 -6.818 8.876 1.00 0.00 C ATOM 0 H VAL A 46 -1.304 -6.277 6.225 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.965 -7.440 8.849 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.130 -5.295 8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.921 -5.181 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.309 -5.332 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.391 -6.744 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.384 -6.136 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.873 -7.771 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.111 -6.977 9.867 1.00 0.00 H new ATOM 442 N GLY A 47 -2.763 -9.522 7.728 1.00 0.00 N ATOM 443 CA GLY A 47 -3.057 -10.748 7.050 1.00 0.00 C ATOM 444 C GLY A 47 -4.537 -11.003 6.904 1.00 0.00 C ATOM 445 O GLY A 47 -4.952 -11.836 6.086 1.00 0.00 O ATOM 0 H GLY A 47 -2.693 -9.591 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.598 -10.729 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.604 -11.576 7.595 1.00 0.00 H new ATOM 449 N SER A 48 -5.346 -10.290 7.661 1.00 0.00 N ATOM 450 CA SER A 48 -6.774 -10.491 7.612 1.00 0.00 C ATOM 451 C SER A 48 -7.570 -9.276 8.079 1.00 0.00 C ATOM 452 O SER A 48 -7.321 -8.732 9.158 1.00 0.00 O ATOM 453 CB SER A 48 -7.145 -11.742 8.409 1.00 0.00 C ATOM 454 OG SER A 48 -6.489 -11.763 9.676 1.00 0.00 O ATOM 0 H SER A 48 -5.038 -9.570 8.314 1.00 0.00 H new ATOM 0 HA SER A 48 -7.047 -10.634 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.225 -11.776 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.873 -12.632 7.841 1.00 0.00 H new ATOM 0 HG SER A 48 -6.746 -12.573 10.164 1.00 0.00 H new ATOM 460 N LEU A 49 -8.499 -8.855 7.246 1.00 0.00 N ATOM 461 CA LEU A 49 -9.393 -7.757 7.538 1.00 0.00 C ATOM 462 C LEU A 49 -10.829 -8.235 7.442 1.00 0.00 C ATOM 463 O LEU A 49 -11.251 -8.773 6.400 1.00 0.00 O ATOM 464 CB LEU A 49 -9.156 -6.653 6.509 1.00 0.00 C ATOM 465 CG LEU A 49 -7.779 -6.005 6.557 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.558 -5.129 5.351 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.636 -5.190 7.820 1.00 0.00 C ATOM 0 H LEU A 49 -8.656 -9.275 6.330 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.207 -7.380 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.310 -7.068 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.909 -5.878 6.651 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.027 -6.794 6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.568 -4.676 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.631 -5.731 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.315 -4.345 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.648 -4.730 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.399 -4.412 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.757 -5.839 8.687 1.00 0.00 H new ATOM 479 N SER A 50 -11.540 -8.160 8.535 1.00 0.00 N ATOM 480 CA SER A 50 -12.943 -8.459 8.557 1.00 0.00 C ATOM 481 C SER A 50 -13.706 -7.365 9.331 1.00 0.00 C ATOM 482 O SER A 50 -13.494 -7.201 10.537 1.00 0.00 O ATOM 483 CB SER A 50 -13.174 -9.834 9.142 1.00 0.00 C ATOM 484 OG SER A 50 -12.331 -10.773 8.484 1.00 0.00 O ATOM 0 H SER A 50 -11.157 -7.888 9.440 1.00 0.00 H new ATOM 0 HA SER A 50 -13.329 -8.469 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.964 -9.827 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.219 -10.121 9.024 1.00 0.00 H new ATOM 0 HG SER A 50 -12.477 -11.665 8.862 1.00 0.00 H new ATOM 490 N PRO A 51 -14.555 -6.584 8.661 1.00 0.00 N ATOM 491 CA PRO A 51 -14.785 -6.699 7.226 1.00 0.00 C ATOM 492 C PRO A 51 -13.610 -6.110 6.426 1.00 0.00 C ATOM 493 O PRO A 51 -12.776 -5.392 6.987 1.00 0.00 O ATOM 494 CB PRO A 51 -16.050 -5.866 7.009 1.00 0.00 C ATOM 495 CG PRO A 51 -16.007 -4.835 8.078 1.00 0.00 C ATOM 496 CD PRO A 51 -15.363 -5.499 9.262 1.00 0.00 C ATOM 0 HA PRO A 51 -14.882 -7.733 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.060 -5.410 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.947 -6.480 7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.434 -3.964 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.009 -4.484 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.742 -4.801 9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.107 -5.891 9.955 1.00 0.00 H new ATOM 504 N PRO A 52 -13.489 -6.456 5.136 1.00 0.00 N ATOM 505 CA PRO A 52 -12.437 -5.905 4.283 1.00 0.00 C ATOM 506 C PRO A 52 -12.605 -4.394 4.126 1.00 0.00 C ATOM 507 O PRO A 52 -13.715 -3.864 4.267 1.00 0.00 O ATOM 508 CB PRO A 52 -12.649 -6.615 2.932 1.00 0.00 C ATOM 509 CG PRO A 52 -14.052 -7.101 2.966 1.00 0.00 C ATOM 510 CD PRO A 52 -14.356 -7.399 4.404 1.00 0.00 C ATOM 0 HA PRO A 52 -11.439 -6.061 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.489 -5.932 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.949 -7.441 2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.735 -6.348 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.170 -7.992 2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.409 -7.239 4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.128 -8.434 4.657 1.00 0.00 H new ATOM 518 N TRP A 53 -11.544 -3.720 3.810 1.00 0.00 N ATOM 519 CA TRP A 53 -11.590 -2.284 3.682 1.00 0.00 C ATOM 520 C TRP A 53 -11.939 -1.928 2.286 1.00 0.00 C ATOM 521 O TRP A 53 -11.397 -2.516 1.361 1.00 0.00 O ATOM 522 CB TRP A 53 -10.233 -1.653 3.996 1.00 0.00 C ATOM 523 CG TRP A 53 -9.793 -1.767 5.422 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.582 -1.960 6.519 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.452 -1.667 5.910 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.814 -1.991 7.648 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.506 -1.812 7.305 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.207 -1.474 5.303 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.366 -1.769 8.106 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -6.081 -1.435 6.100 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.169 -1.582 7.486 1.00 0.00 C ATOM 0 H TRP A 53 -10.629 -4.136 3.634 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.334 -1.911 4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.478 -2.118 3.361 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.270 -0.597 3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.656 -2.072 6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.163 -2.126 8.597 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -7.128 -1.358 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.430 -1.880 9.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.113 -1.288 5.643 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.267 -1.546 8.079 1.00 0.00 H new ATOM 542 N THR A 54 -12.844 -0.993 2.117 1.00 0.00 N ATOM 543 CA THR A 54 -13.186 -0.528 0.804 1.00 0.00 C ATOM 544 C THR A 54 -12.768 0.944 0.607 1.00 0.00 C ATOM 545 O THR A 54 -13.571 1.870 0.843 1.00 0.00 O ATOM 546 CB THR A 54 -14.694 -0.727 0.505 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.491 -0.070 1.505 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.039 -2.203 0.500 1.00 0.00 C ATOM 0 H THR A 54 -13.354 -0.542 2.876 1.00 0.00 H new ATOM 0 HA THR A 54 -12.628 -1.132 0.088 1.00 0.00 H new ATOM 0 HB THR A 54 -14.905 -0.297 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.142 0.833 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.101 -2.328 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.454 -2.711 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.810 -2.633 1.475 1.00 0.00 H new ATOM 556 N PRO A 55 -11.478 1.196 0.302 1.00 0.00 N ATOM 557 CA PRO A 55 -10.984 2.530 0.034 1.00 0.00 C ATOM 558 C PRO A 55 -11.308 2.998 -1.383 1.00 0.00 C ATOM 559 O PRO A 55 -11.571 2.193 -2.285 1.00 0.00 O ATOM 560 CB PRO A 55 -9.482 2.383 0.197 1.00 0.00 C ATOM 561 CG PRO A 55 -9.215 1.002 -0.248 1.00 0.00 C ATOM 562 CD PRO A 55 -10.380 0.202 0.242 1.00 0.00 C ATOM 0 HA PRO A 55 -11.437 3.270 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.941 3.110 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.175 2.537 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.128 0.947 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.278 0.629 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.617 -0.619 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.183 -0.238 1.219 1.00 0.00 H new ATOM 570 N GLY A 56 -11.301 4.289 -1.563 1.00 0.00 N ATOM 571 CA GLY A 56 -11.521 4.858 -2.855 1.00 0.00 C ATOM 572 C GLY A 56 -10.214 4.974 -3.599 1.00 0.00 C ATOM 573 O GLY A 56 -10.152 4.762 -4.811 1.00 0.00 O ATOM 0 H GLY A 56 -11.143 4.970 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.217 4.238 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.980 5.842 -2.755 1.00 0.00 H new ATOM 577 N SER A 57 -9.167 5.270 -2.880 1.00 0.00 N ATOM 578 CA SER A 57 -7.873 5.388 -3.453 1.00 0.00 C ATOM 579 C SER A 57 -6.855 5.007 -2.413 1.00 0.00 C ATOM 580 O SER A 57 -7.157 4.995 -1.210 1.00 0.00 O ATOM 581 CB SER A 57 -7.620 6.809 -4.017 1.00 0.00 C ATOM 582 OG SER A 57 -7.661 7.813 -3.035 1.00 0.00 O ATOM 0 H SER A 57 -9.197 5.436 -1.874 1.00 0.00 H new ATOM 0 HA SER A 57 -7.790 4.712 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.647 6.830 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.366 7.027 -4.781 1.00 0.00 H new ATOM 0 HG SER A 57 -6.769 8.206 -2.932 1.00 0.00 H new ATOM 588 N VAL A 58 -5.696 4.636 -2.850 1.00 0.00 N ATOM 589 CA VAL A 58 -4.635 4.240 -1.961 1.00 0.00 C ATOM 590 C VAL A 58 -3.398 4.970 -2.404 1.00 0.00 C ATOM 591 O VAL A 58 -3.199 5.130 -3.604 1.00 0.00 O ATOM 592 CB VAL A 58 -4.363 2.711 -2.073 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.321 2.263 -1.074 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.644 1.899 -1.927 1.00 0.00 C ATOM 0 H VAL A 58 -5.450 4.596 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.908 4.472 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.970 2.527 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.154 1.191 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.388 2.795 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.669 2.480 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.413 0.837 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.091 2.097 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.345 2.181 -2.713 1.00 0.00 H new ATOM 604 N CYS A 59 -2.572 5.404 -1.486 1.00 0.00 N ATOM 605 CA CYS A 59 -1.373 6.085 -1.880 1.00 0.00 C ATOM 606 C CYS A 59 -0.222 5.782 -0.937 1.00 0.00 C ATOM 607 O CYS A 59 -0.428 5.507 0.266 1.00 0.00 O ATOM 608 CB CYS A 59 -1.595 7.597 -1.997 1.00 0.00 C ATOM 609 SG CYS A 59 -0.155 8.475 -2.714 1.00 0.00 S ATOM 0 H CYS A 59 -2.706 5.299 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.104 5.709 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.473 7.784 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.808 8.005 -1.009 1.00 0.00 H new ATOM 614 N VAL A 60 0.974 5.804 -1.489 1.00 0.00 N ATOM 615 CA VAL A 60 2.193 5.578 -0.748 1.00 0.00 C ATOM 616 C VAL A 60 3.037 6.852 -0.821 1.00 0.00 C ATOM 617 O VAL A 60 3.288 7.363 -1.918 1.00 0.00 O ATOM 618 CB VAL A 60 3.007 4.391 -1.344 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.286 4.135 -0.550 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.159 3.137 -1.397 1.00 0.00 C ATOM 0 H VAL A 60 1.126 5.983 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 60 1.941 5.330 0.283 1.00 0.00 H new ATOM 0 HB VAL A 60 3.294 4.664 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.829 3.300 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.912 5.027 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.031 3.894 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.745 2.319 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.836 2.873 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.285 3.315 -2.023 1.00 0.00 H new ATOM 630 N PRO A 61 3.465 7.391 0.336 1.00 0.00 N ATOM 631 CA PRO A 61 4.273 8.610 0.393 1.00 0.00 C ATOM 632 C PRO A 61 5.600 8.449 -0.353 1.00 0.00 C ATOM 633 O PRO A 61 6.229 7.371 -0.326 1.00 0.00 O ATOM 634 CB PRO A 61 4.516 8.829 1.897 1.00 0.00 C ATOM 635 CG PRO A 61 4.231 7.511 2.528 1.00 0.00 C ATOM 636 CD PRO A 61 3.200 6.850 1.669 1.00 0.00 C ATOM 0 HA PRO A 61 3.773 9.452 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.541 9.146 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.863 9.606 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.135 6.905 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.865 7.638 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.298 5.765 1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.189 7.084 2.003 1.00 0.00 H new ATOM 644 N PHE A 62 6.023 9.498 -1.009 1.00 0.00 N ATOM 645 CA PHE A 62 7.206 9.455 -1.803 1.00 0.00 C ATOM 646 C PHE A 62 8.454 9.428 -0.939 1.00 0.00 C ATOM 647 O PHE A 62 8.672 10.288 -0.069 1.00 0.00 O ATOM 648 CB PHE A 62 7.252 10.602 -2.811 1.00 0.00 C ATOM 649 CG PHE A 62 8.421 10.512 -3.756 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.429 11.451 -3.729 1.00 0.00 C ATOM 651 CD2 PHE A 62 8.509 9.469 -4.667 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.498 11.356 -4.589 1.00 0.00 C ATOM 653 CE2 PHE A 62 9.575 9.371 -5.529 1.00 0.00 C ATOM 654 CZ PHE A 62 10.572 10.316 -5.492 1.00 0.00 C ATOM 0 H PHE A 62 5.552 10.403 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 62 7.179 8.525 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.327 10.609 -3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.300 11.549 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.379 12.269 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.728 8.723 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.282 12.098 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.629 8.554 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.411 10.245 -6.168 1.00 0.00 H new ATOM 664 N VAL A 63 9.241 8.429 -1.168 1.00 0.00 N ATOM 665 CA VAL A 63 10.471 8.234 -0.489 1.00 0.00 C ATOM 666 C VAL A 63 11.593 8.486 -1.475 1.00 0.00 C ATOM 667 O VAL A 63 11.674 7.832 -2.510 1.00 0.00 O ATOM 668 CB VAL A 63 10.562 6.795 0.123 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.903 6.548 0.791 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.438 6.589 1.127 1.00 0.00 C ATOM 0 H VAL A 63 9.035 7.705 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 63 10.548 8.929 0.347 1.00 0.00 H new ATOM 0 HB VAL A 63 10.463 6.080 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.924 5.539 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.701 6.658 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.048 7.270 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.507 5.586 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.524 7.326 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.477 6.707 0.627 1.00 0.00 H new ATOM 680 N ASN A 64 12.380 9.477 -1.174 1.00 0.00 N ATOM 681 CA ASN A 64 13.540 9.898 -1.980 1.00 0.00 C ATOM 682 C ASN A 64 14.747 9.824 -1.070 1.00 0.00 C ATOM 683 O ASN A 64 15.851 10.295 -1.364 1.00 0.00 O ATOM 684 CB ASN A 64 13.332 11.347 -2.445 1.00 0.00 C ATOM 685 CG ASN A 64 13.165 12.314 -1.280 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.065 12.480 -0.759 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.213 12.977 -0.893 1.00 0.00 N ATOM 0 H ASN A 64 12.247 10.047 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 64 13.670 9.265 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.183 11.657 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.451 11.397 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.136 13.657 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.113 12.817 -1.345 1.00 0.00 H new ATOM 694 N ASP A 65 14.477 9.213 0.027 1.00 0.00 N ATOM 695 CA ASP A 65 15.325 9.068 1.165 1.00 0.00 C ATOM 696 C ASP A 65 16.505 8.157 0.900 1.00 0.00 C ATOM 697 O ASP A 65 16.404 7.182 0.140 1.00 0.00 O ATOM 698 CB ASP A 65 14.490 8.584 2.340 1.00 0.00 C ATOM 699 CG ASP A 65 13.340 9.535 2.652 1.00 0.00 C ATOM 700 OD1 ASP A 65 12.348 9.587 1.862 1.00 0.00 O ATOM 701 OD2 ASP A 65 13.386 10.230 3.685 1.00 0.00 O ATOM 0 H ASP A 65 13.575 8.759 0.168 1.00 0.00 H new ATOM 0 HA ASP A 65 15.758 10.040 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.092 7.594 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.126 8.483 3.220 1.00 0.00 H new ATOM 706 N THR A 66 17.606 8.503 1.526 1.00 0.00 N ATOM 707 CA THR A 66 18.940 7.900 1.423 1.00 0.00 C ATOM 708 C THR A 66 18.984 6.357 1.674 1.00 0.00 C ATOM 709 O THR A 66 20.026 5.719 1.465 1.00 0.00 O ATOM 710 CB THR A 66 19.771 8.581 2.508 1.00 0.00 C ATOM 711 OG1 THR A 66 19.332 9.955 2.593 1.00 0.00 O ATOM 712 CG2 THR A 66 21.256 8.561 2.172 1.00 0.00 C ATOM 0 H THR A 66 17.604 9.283 2.183 1.00 0.00 H new ATOM 0 HA THR A 66 19.304 8.040 0.405 1.00 0.00 H new ATOM 0 HB THR A 66 19.634 8.050 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.847 10.421 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.816 9.054 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.594 7.529 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.423 9.085 1.231 1.00 0.00 H new ATOM 720 N LYS A 67 17.881 5.778 2.097 1.00 0.00 N ATOM 721 CA LYS A 67 17.830 4.369 2.423 1.00 0.00 C ATOM 722 C LYS A 67 18.026 3.519 1.172 1.00 0.00 C ATOM 723 O LYS A 67 17.721 3.965 0.053 1.00 0.00 O ATOM 724 CB LYS A 67 16.524 3.985 3.130 1.00 0.00 C ATOM 725 CG LYS A 67 16.316 4.653 4.481 1.00 0.00 C ATOM 726 CD LYS A 67 15.861 6.088 4.349 1.00 0.00 C ATOM 727 CE LYS A 67 15.632 6.715 5.695 1.00 0.00 C ATOM 728 NZ LYS A 67 14.561 6.032 6.452 1.00 0.00 N ATOM 0 H LYS A 67 16.996 6.269 2.224 1.00 0.00 H new ATOM 0 HA LYS A 67 18.647 4.172 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.686 4.239 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.504 2.904 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.576 4.091 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 67 17.247 4.620 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.610 6.660 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.941 6.128 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.557 6.685 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.371 7.765 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.225 6.653 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.771 5.811 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.933 5.151 6.861 1.00 0.00 H new ATOM 742 N ARG A 68 18.512 2.312 1.348 1.00 0.00 N ATOM 743 CA ARG A 68 18.840 1.442 0.231 1.00 0.00 C ATOM 744 C ARG A 68 17.594 0.779 -0.334 1.00 0.00 C ATOM 745 O ARG A 68 17.538 0.463 -1.525 1.00 0.00 O ATOM 746 CB ARG A 68 19.874 0.392 0.643 1.00 0.00 C ATOM 747 CG ARG A 68 21.189 0.973 1.165 1.00 0.00 C ATOM 748 CD ARG A 68 21.892 1.831 0.113 1.00 0.00 C ATOM 749 NE ARG A 68 22.252 1.054 -1.083 1.00 0.00 N ATOM 750 CZ ARG A 68 22.769 1.550 -2.214 1.00 0.00 C ATOM 751 NH1 ARG A 68 22.906 2.860 -2.379 1.00 0.00 N ATOM 752 NH2 ARG A 68 23.125 0.722 -3.187 1.00 0.00 N ATOM 0 H ARG A 68 18.692 1.902 2.264 1.00 0.00 H new ATOM 0 HA ARG A 68 19.276 2.059 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.440 -0.245 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.088 -0.246 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.993 1.575 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.849 0.161 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.242 2.657 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.792 2.269 0.545 1.00 0.00 H new ATOM 0 HE ARG A 68 22.094 0.047 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.616 3.500 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.301 3.226 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.004 -0.284 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.520 1.091 -4.052 1.00 0.00 H new ATOM 766 N GLU A 69 16.606 0.587 0.509 1.00 0.00 N ATOM 767 CA GLU A 69 15.341 0.023 0.093 1.00 0.00 C ATOM 768 C GLU A 69 14.243 1.081 0.149 1.00 0.00 C ATOM 769 O GLU A 69 14.270 1.979 1.006 1.00 0.00 O ATOM 770 CB GLU A 69 14.905 -1.173 0.967 1.00 0.00 C ATOM 771 CG GLU A 69 15.754 -2.447 0.881 1.00 0.00 C ATOM 772 CD GLU A 69 17.111 -2.346 1.524 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.183 -2.076 2.742 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.128 -2.605 0.850 1.00 0.00 O ATOM 0 H GLU A 69 16.655 0.817 1.502 1.00 0.00 H new ATOM 0 HA GLU A 69 15.487 -0.331 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.891 -0.845 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.880 -1.431 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.206 -3.264 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.884 -2.710 -0.169 1.00 0.00 H new ATOM 781 N ARG A 70 13.325 1.007 -0.778 1.00 0.00 N ATOM 782 CA ARG A 70 12.125 1.820 -0.768 1.00 0.00 C ATOM 783 C ARG A 70 10.939 0.951 -0.381 1.00 0.00 C ATOM 784 O ARG A 70 10.953 -0.252 -0.626 1.00 0.00 O ATOM 785 CB ARG A 70 11.862 2.509 -2.124 1.00 0.00 C ATOM 786 CG ARG A 70 12.496 3.895 -2.281 1.00 0.00 C ATOM 787 CD ARG A 70 14.000 3.861 -2.215 1.00 0.00 C ATOM 788 NE ARG A 70 14.565 3.053 -3.296 1.00 0.00 N ATOM 789 CZ ARG A 70 15.827 2.651 -3.375 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.725 3.078 -2.490 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.195 1.842 -4.359 1.00 0.00 N ATOM 0 H ARG A 70 13.385 0.373 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 70 12.267 2.616 -0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.234 1.864 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.785 2.601 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.189 4.324 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.118 4.553 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.391 4.877 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.314 3.455 -1.253 1.00 0.00 H new ATOM 0 HE ARG A 70 13.937 2.776 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.444 3.717 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.694 2.766 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.510 1.533 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.163 1.529 -4.426 1.00 0.00 H new ATOM 805 N PRO A 71 9.912 1.529 0.236 1.00 0.00 N ATOM 806 CA PRO A 71 8.730 0.779 0.650 1.00 0.00 C ATOM 807 C PRO A 71 7.778 0.506 -0.530 1.00 0.00 C ATOM 808 O PRO A 71 7.534 1.388 -1.374 1.00 0.00 O ATOM 809 CB PRO A 71 8.082 1.717 1.671 1.00 0.00 C ATOM 810 CG PRO A 71 8.427 3.075 1.178 1.00 0.00 C ATOM 811 CD PRO A 71 9.805 2.958 0.583 1.00 0.00 C ATOM 0 HA PRO A 71 8.971 -0.207 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.003 1.571 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.471 1.545 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.707 3.415 0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.412 3.801 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.918 3.593 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.575 3.257 1.294 1.00 0.00 H new ATOM 819 N TYR A 72 7.265 -0.693 -0.591 1.00 0.00 N ATOM 820 CA TYR A 72 6.358 -1.081 -1.637 1.00 0.00 C ATOM 821 C TYR A 72 5.179 -1.789 -0.962 1.00 0.00 C ATOM 822 O TYR A 72 5.379 -2.631 -0.103 1.00 0.00 O ATOM 823 CB TYR A 72 7.082 -2.022 -2.616 1.00 0.00 C ATOM 824 CG TYR A 72 6.470 -2.072 -3.992 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.399 -2.896 -4.279 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.976 -1.277 -5.010 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.843 -2.923 -5.541 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.429 -1.299 -6.274 1.00 0.00 C ATOM 829 CZ TYR A 72 5.362 -2.120 -6.536 1.00 0.00 C ATOM 830 OH TYR A 72 4.805 -2.141 -7.807 1.00 0.00 O ATOM 0 H TYR A 72 7.465 -1.430 0.085 1.00 0.00 H new ATOM 0 HA TYR A 72 6.003 -0.221 -2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.121 -1.706 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.089 -3.028 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.991 -3.528 -3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.815 -0.628 -4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.004 -3.570 -5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.838 -0.674 -7.054 1.00 0.00 H new ATOM 0 HH TYR A 72 3.858 -1.894 -7.753 1.00 0.00 H new ATOM 840 N TRP A 73 3.983 -1.446 -1.314 1.00 0.00 N ATOM 841 CA TRP A 73 2.834 -1.982 -0.640 1.00 0.00 C ATOM 842 C TRP A 73 1.979 -2.809 -1.579 1.00 0.00 C ATOM 843 O TRP A 73 1.722 -2.410 -2.711 1.00 0.00 O ATOM 844 CB TRP A 73 2.023 -0.843 -0.025 1.00 0.00 C ATOM 845 CG TRP A 73 2.735 -0.109 1.086 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.607 0.933 0.970 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.603 -0.360 2.481 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.009 1.352 2.216 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.402 0.572 3.161 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.873 -1.280 3.214 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.486 0.604 4.551 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.947 -1.254 4.584 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.745 -0.313 5.245 1.00 0.00 C ATOM 0 H TRP A 73 3.770 -0.793 -2.068 1.00 0.00 H new ATOM 0 HA TRP A 73 3.175 -2.646 0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.764 -0.131 -0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.087 -1.246 0.362 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.934 1.366 0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.654 2.119 2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.253 -2.009 2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.111 1.323 5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.381 -1.970 5.161 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.776 -0.311 6.325 1.00 0.00 H new ATOM 864 N TYR A 74 1.565 -3.950 -1.115 1.00 0.00 N ATOM 865 CA TYR A 74 0.717 -4.836 -1.866 1.00 0.00 C ATOM 866 C TYR A 74 -0.620 -4.996 -1.185 1.00 0.00 C ATOM 867 O TYR A 74 -0.694 -5.092 0.044 1.00 0.00 O ATOM 868 CB TYR A 74 1.376 -6.196 -2.072 1.00 0.00 C ATOM 869 CG TYR A 74 2.343 -6.251 -3.234 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.704 -6.182 -3.045 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.876 -6.388 -4.529 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.577 -6.251 -4.112 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.735 -6.454 -5.598 1.00 0.00 C ATOM 874 CZ TYR A 74 4.084 -6.387 -5.387 1.00 0.00 C ATOM 875 OH TYR A 74 4.944 -6.450 -6.459 1.00 0.00 O ATOM 0 H TYR A 74 1.809 -4.300 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 74 0.558 -4.389 -2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.906 -6.471 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.598 -6.944 -2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.096 -6.072 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.812 -6.444 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.643 -6.198 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.347 -6.558 -6.600 1.00 0.00 H new ATOM 0 HH TYR A 74 4.428 -6.547 -7.287 1.00 0.00 H new ATOM 885 N LEU A 75 -1.659 -5.072 -1.974 1.00 0.00 N ATOM 886 CA LEU A 75 -3.012 -5.153 -1.467 1.00 0.00 C ATOM 887 C LEU A 75 -3.643 -6.373 -2.092 1.00 0.00 C ATOM 888 O LEU A 75 -3.358 -6.682 -3.262 1.00 0.00 O ATOM 889 CB LEU A 75 -3.807 -3.913 -1.929 1.00 0.00 C ATOM 890 CG LEU A 75 -3.098 -2.550 -1.822 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.980 -1.445 -2.353 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.680 -2.244 -0.400 1.00 0.00 C ATOM 0 H LEU A 75 -1.595 -5.080 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.014 -5.205 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.096 -4.064 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.727 -3.863 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.196 -2.607 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.459 -0.491 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.215 -1.638 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.903 -1.407 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.184 -1.274 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.561 -2.222 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.994 -3.015 -0.049 1.00 0.00 H new ATOM 904 N PHE A 76 -4.459 -7.074 -1.327 1.00 0.00 N ATOM 905 CA PHE A 76 -5.080 -8.311 -1.776 1.00 0.00 C ATOM 906 C PHE A 76 -6.553 -8.316 -1.419 1.00 0.00 C ATOM 907 O PHE A 76 -6.943 -7.827 -0.343 1.00 0.00 O ATOM 908 CB PHE A 76 -4.398 -9.515 -1.114 1.00 0.00 C ATOM 909 CG PHE A 76 -2.928 -9.604 -1.384 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.022 -8.959 -0.558 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.449 -10.320 -2.464 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.674 -9.026 -0.811 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.106 -10.391 -2.713 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.217 -9.744 -1.892 1.00 0.00 C ATOM 0 H PHE A 76 -4.711 -6.804 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.969 -8.380 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.557 -9.463 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.878 -10.429 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.379 -8.398 0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.142 -10.829 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.025 -8.517 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.744 -10.958 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.842 -9.798 -2.095 1.00 0.00 H new ATOM 924 N ASP A 77 -7.376 -8.861 -2.302 1.00 0.00 N ATOM 925 CA ASP A 77 -8.833 -8.899 -2.062 1.00 0.00 C ATOM 926 C ASP A 77 -9.213 -10.030 -1.154 1.00 0.00 C ATOM 927 O ASP A 77 -10.345 -10.084 -0.689 1.00 0.00 O ATOM 928 CB ASP A 77 -9.674 -8.976 -3.352 1.00 0.00 C ATOM 929 CG ASP A 77 -9.849 -10.377 -3.902 1.00 0.00 C ATOM 930 OD1 ASP A 77 -8.947 -10.872 -4.565 1.00 0.00 O ATOM 931 OD2 ASP A 77 -10.925 -10.991 -3.708 1.00 0.00 O ATOM 0 H ASP A 77 -7.078 -9.281 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.062 -7.948 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.658 -8.550 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.204 -8.355 -4.115 1.00 0.00 H new ATOM 936 N ASN A 78 -8.295 -10.919 -0.869 1.00 0.00 N ATOM 937 CA ASN A 78 -8.590 -11.982 0.036 1.00 0.00 C ATOM 938 C ASN A 78 -7.533 -12.026 1.125 1.00 0.00 C ATOM 939 O ASN A 78 -6.483 -11.409 0.983 1.00 0.00 O ATOM 940 CB ASN A 78 -8.743 -13.319 -0.673 1.00 0.00 C ATOM 941 CG ASN A 78 -9.500 -14.276 0.200 1.00 0.00 C ATOM 942 OD1 ASN A 78 -8.933 -15.070 0.939 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.782 -14.135 0.197 1.00 0.00 N ATOM 0 H ASN A 78 -7.349 -10.922 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.558 -11.785 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.269 -13.181 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.761 -13.729 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.358 -14.696 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.220 -13.463 -0.433 1.00 0.00 H new ATOM 950 N VAL A 79 -7.831 -12.695 2.228 1.00 0.00 N ATOM 951 CA VAL A 79 -6.944 -12.755 3.375 1.00 0.00 C ATOM 952 C VAL A 79 -5.755 -13.653 3.084 1.00 0.00 C ATOM 953 O VAL A 79 -5.743 -14.358 2.073 1.00 0.00 O ATOM 954 CB VAL A 79 -7.668 -13.261 4.651 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.854 -12.377 4.989 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.107 -14.706 4.492 1.00 0.00 C ATOM 0 H VAL A 79 -8.700 -13.214 2.351 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.602 -11.737 3.561 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.959 -13.211 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.344 -12.753 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.510 -11.358 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.561 -12.384 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.611 -15.035 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.791 -14.788 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.234 -15.334 4.314 1.00 0.00 H new ATOM 966 N ASN A 80 -4.757 -13.611 3.959 1.00 0.00 N ATOM 967 CA ASN A 80 -3.527 -14.409 3.820 1.00 0.00 C ATOM 968 C ASN A 80 -2.830 -14.117 2.509 1.00 0.00 C ATOM 969 O ASN A 80 -2.104 -14.957 1.958 1.00 0.00 O ATOM 970 CB ASN A 80 -3.802 -15.919 3.979 1.00 0.00 C ATOM 971 CG ASN A 80 -4.005 -16.334 5.422 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.043 -16.623 6.129 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.233 -16.398 5.867 1.00 0.00 N ATOM 0 H ASN A 80 -4.770 -13.022 4.792 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.859 -14.114 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.688 -16.184 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.968 -16.481 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.413 -16.695 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.011 -16.151 5.255 1.00 0.00 H new ATOM 980 N TYR A 81 -3.006 -12.876 2.055 1.00 0.00 N ATOM 981 CA TYR A 81 -2.388 -12.337 0.859 1.00 0.00 C ATOM 982 C TYR A 81 -2.775 -13.146 -0.374 1.00 0.00 C ATOM 983 O TYR A 81 -1.964 -13.360 -1.268 1.00 0.00 O ATOM 984 CB TYR A 81 -0.856 -12.266 1.033 1.00 0.00 C ATOM 985 CG TYR A 81 -0.440 -11.662 2.361 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.407 -12.344 3.230 1.00 0.00 C ATOM 987 CD2 TYR A 81 -0.935 -10.441 2.764 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.739 -11.815 4.459 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.599 -9.905 3.975 1.00 0.00 C ATOM 990 CZ TYR A 81 0.232 -10.589 4.825 1.00 0.00 C ATOM 991 OH TYR A 81 0.538 -10.053 6.052 1.00 0.00 O ATOM 0 H TYR A 81 -3.604 -12.201 2.531 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.758 -11.323 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.439 -13.270 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.430 -11.675 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.810 -13.302 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.601 -9.897 2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.391 -12.357 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.989 -8.940 4.264 1.00 0.00 H new ATOM 0 HH TYR A 81 1.425 -10.361 6.332 1.00 0.00 H new ATOM 1001 N THR A 82 -4.019 -13.547 -0.446 1.00 0.00 N ATOM 1002 CA THR A 82 -4.476 -14.311 -1.576 1.00 0.00 C ATOM 1003 C THR A 82 -5.449 -13.477 -2.402 1.00 0.00 C ATOM 1004 O THR A 82 -5.802 -12.345 -2.015 1.00 0.00 O ATOM 1005 CB THR A 82 -5.138 -15.657 -1.149 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.246 -15.423 -0.277 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.143 -16.563 -0.449 1.00 0.00 C ATOM 0 H THR A 82 -4.729 -13.358 0.261 1.00 0.00 H new ATOM 0 HA THR A 82 -3.605 -14.562 -2.181 1.00 0.00 H new ATOM 0 HB THR A 82 -5.486 -16.147 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.916 -15.179 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.635 -17.493 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.315 -16.783 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.763 -16.065 0.443 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.880 -14.010 -3.515 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.775 -13.293 -4.356 1.00 0.00 C ATOM 1017 C GLY A 83 -6.039 -12.440 -5.339 1.00 0.00 C ATOM 1018 O GLY A 83 -5.002 -12.853 -5.888 1.00 0.00 O ATOM 0 H GLY A 83 -5.621 -14.937 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.415 -13.995 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.427 -12.667 -3.746 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.553 -11.281 -5.560 1.00 0.00 N ATOM 1023 CA ARG A 84 -5.996 -10.327 -6.488 1.00 0.00 C ATOM 1024 C ARG A 84 -4.895 -9.563 -5.829 1.00 0.00 C ATOM 1025 O ARG A 84 -4.912 -9.374 -4.617 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.071 -9.372 -6.919 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.239 -10.059 -7.541 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.369 -9.111 -7.790 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.631 -9.820 -7.962 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.535 -9.573 -8.899 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -11.260 -8.725 -9.889 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.703 -10.194 -8.857 1.00 0.00 N ATOM 0 H ARG A 84 -7.397 -10.949 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.599 -10.856 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.410 -8.800 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.654 -8.659 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.934 -10.517 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.577 -10.865 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.452 -8.415 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.159 -8.518 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.836 -10.572 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.351 -8.263 -9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.958 -8.537 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.902 -10.857 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.405 -10.010 -9.574 1.00 0.00 H new ATOM 1046 N ILE A 85 -3.962 -9.113 -6.606 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.826 -8.421 -6.074 1.00 0.00 C ATOM 1048 C ILE A 85 -2.716 -7.020 -6.698 1.00 0.00 C ATOM 1049 O ILE A 85 -3.019 -6.820 -7.877 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.532 -9.256 -6.321 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.348 -8.699 -5.552 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.193 -9.290 -7.799 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.878 -9.598 -5.598 1.00 0.00 C ATOM 0 H ILE A 85 -3.963 -9.213 -7.621 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.950 -8.298 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.732 -10.267 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.088 -7.721 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.639 -8.546 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.287 -9.877 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.016 -9.743 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.031 -8.274 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.687 -9.140 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.634 -10.568 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.193 -9.731 -6.633 1.00 0.00 H new ATOM 1065 N THR A 86 -2.427 -6.057 -5.885 1.00 0.00 N ATOM 1066 CA THR A 86 -2.186 -4.706 -6.334 1.00 0.00 C ATOM 1067 C THR A 86 -0.900 -4.185 -5.693 1.00 0.00 C ATOM 1068 O THR A 86 -0.760 -4.251 -4.481 1.00 0.00 O ATOM 1069 CB THR A 86 -3.401 -3.815 -6.010 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.542 -4.352 -6.689 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.184 -2.381 -6.453 1.00 0.00 C ATOM 0 H THR A 86 -2.348 -6.178 -4.875 1.00 0.00 H new ATOM 0 HA THR A 86 -2.055 -4.687 -7.416 1.00 0.00 H new ATOM 0 HB THR A 86 -3.550 -3.807 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.179 -4.703 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.064 -1.787 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.313 -1.970 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.019 -2.354 -7.530 1.00 0.00 H new ATOM 1079 N GLY A 87 0.034 -3.713 -6.499 1.00 0.00 N ATOM 1080 CA GLY A 87 1.307 -3.272 -5.973 1.00 0.00 C ATOM 1081 C GLY A 87 1.580 -1.790 -6.139 1.00 0.00 C ATOM 1082 O GLY A 87 1.853 -1.316 -7.245 1.00 0.00 O ATOM 0 H GLY A 87 -0.066 -3.627 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.352 -3.520 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.102 -3.832 -6.465 1.00 0.00 H new ATOM 1086 N LEU A 88 1.569 -1.077 -5.044 1.00 0.00 N ATOM 1087 CA LEU A 88 1.818 0.353 -5.038 1.00 0.00 C ATOM 1088 C LEU A 88 3.216 0.661 -4.583 1.00 0.00 C ATOM 1089 O LEU A 88 3.769 -0.027 -3.723 1.00 0.00 O ATOM 1090 CB LEU A 88 0.796 1.100 -4.163 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.446 1.644 -4.872 1.00 0.00 C ATOM 1092 CD1 LEU A 88 -0.065 2.794 -5.792 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.132 0.549 -5.659 1.00 0.00 C ATOM 0 H LEU A 88 1.386 -1.469 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 88 1.706 0.702 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.468 0.426 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.306 1.934 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.141 2.013 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.958 3.172 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.390 3.593 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.646 2.442 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.013 0.955 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.444 0.152 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.434 -0.251 -4.983 1.00 0.00 H new ATOM 1105 N GLY A 89 3.777 1.687 -5.152 1.00 0.00 N ATOM 1106 CA GLY A 89 5.098 2.080 -4.815 1.00 0.00 C ATOM 1107 C GLY A 89 5.155 3.504 -4.347 1.00 0.00 C ATOM 1108 O GLY A 89 4.170 4.246 -4.467 1.00 0.00 O ATOM 0 H GLY A 89 3.327 2.268 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.483 1.425 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.746 1.957 -5.683 1.00 0.00 H new ATOM 1112 N HIS A 90 6.296 3.878 -3.819 1.00 0.00 N ATOM 1113 CA HIS A 90 6.547 5.209 -3.272 1.00 0.00 C ATOM 1114 C HIS A 90 6.218 6.342 -4.263 1.00 0.00 C ATOM 1115 O HIS A 90 6.736 6.386 -5.398 1.00 0.00 O ATOM 1116 CB HIS A 90 8.009 5.326 -2.757 1.00 0.00 C ATOM 1117 CG HIS A 90 9.086 5.091 -3.802 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.959 6.065 -4.263 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.422 3.955 -4.463 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.767 5.500 -5.167 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.480 4.218 -5.321 1.00 0.00 N ATOM 0 H HIS A 90 7.102 3.256 -3.752 1.00 0.00 H new ATOM 0 HA HIS A 90 5.866 5.332 -2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.149 6.320 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.150 4.611 -1.947 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.981 7.040 -3.965 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.941 2.996 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.549 6.021 -5.700 1.00 0.00 H new ATOM 1129 N GLY A 91 5.326 7.217 -3.839 1.00 0.00 N ATOM 1130 CA GLY A 91 4.969 8.382 -4.617 1.00 0.00 C ATOM 1131 C GLY A 91 3.801 8.140 -5.527 1.00 0.00 C ATOM 1132 O GLY A 91 3.299 9.068 -6.174 1.00 0.00 O ATOM 0 H GLY A 91 4.832 7.139 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.733 9.205 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.828 8.693 -5.211 1.00 0.00 H new ATOM 1136 N THR A 92 3.353 6.929 -5.586 1.00 0.00 N ATOM 1137 CA THR A 92 2.288 6.596 -6.457 1.00 0.00 C ATOM 1138 C THR A 92 1.013 6.380 -5.653 1.00 0.00 C ATOM 1139 O THR A 92 1.048 5.902 -4.502 1.00 0.00 O ATOM 1140 CB THR A 92 2.659 5.328 -7.253 1.00 0.00 C ATOM 1141 OG1 THR A 92 3.968 5.517 -7.819 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.672 5.067 -8.391 1.00 0.00 C ATOM 0 H THR A 92 3.715 6.152 -5.034 1.00 0.00 H new ATOM 0 HA THR A 92 2.114 7.411 -7.159 1.00 0.00 H new ATOM 0 HB THR A 92 2.633 4.475 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.223 4.719 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.967 4.166 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.671 4.934 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.674 5.915 -9.076 1.00 0.00 H new ATOM 1150 N CYS A 93 -0.081 6.736 -6.246 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.365 6.597 -5.651 1.00 0.00 C ATOM 1152 C CYS A 93 -2.274 6.011 -6.712 1.00 0.00 C ATOM 1153 O CYS A 93 -1.957 6.073 -7.910 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.941 7.958 -5.240 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.777 9.200 -4.510 1.00 0.00 S ATOM 0 H CYS A 93 -0.103 7.142 -7.182 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.289 5.972 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.402 8.407 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.738 7.781 -4.518 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.348 5.420 -6.306 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.308 4.912 -7.239 1.00 0.00 C ATOM 1162 C ILE A 94 -5.347 5.976 -7.453 1.00 0.00 C ATOM 1163 O ILE A 94 -5.862 6.513 -6.491 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.994 3.644 -6.726 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.953 2.637 -6.292 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.860 3.048 -7.834 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.535 1.354 -5.746 1.00 0.00 C ATOM 0 H ILE A 94 -3.588 5.274 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.793 4.655 -8.165 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.623 3.895 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.312 2.402 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.318 3.090 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.348 2.145 -7.468 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.616 3.773 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.234 2.800 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.727 0.682 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.152 1.576 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.146 0.877 -6.512 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.647 6.276 -8.693 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.636 7.315 -9.010 1.00 0.00 C ATOM 1181 C ASP A 95 -8.022 6.881 -8.537 1.00 0.00 C ATOM 1182 O ASP A 95 -8.744 7.646 -7.870 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.677 7.593 -10.525 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.367 8.085 -11.102 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.534 7.248 -11.528 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.148 9.319 -11.176 1.00 0.00 O ATOM 0 H ASP A 95 -5.230 5.825 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.342 8.229 -8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.969 6.679 -11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.451 8.334 -10.726 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.371 5.650 -8.858 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.629 5.042 -8.468 1.00 0.00 C ATOM 1193 C ASP A 96 -9.393 3.581 -8.156 1.00 0.00 C ATOM 1194 O ASP A 96 -9.330 2.761 -9.075 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.669 5.040 -9.593 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.224 6.350 -10.076 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.509 7.113 -10.750 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.432 6.583 -9.896 1.00 0.00 O ATOM 0 H ASP A 96 -7.775 5.032 -9.409 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.995 5.624 -7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.225 4.535 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.509 4.429 -9.263 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.275 3.234 -6.892 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.042 1.841 -6.502 1.00 0.00 C ATOM 1205 C PHE A 97 -10.231 0.958 -6.897 1.00 0.00 C ATOM 1206 O PHE A 97 -10.075 -0.193 -7.285 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.747 1.740 -5.006 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.459 0.349 -4.552 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.389 -0.344 -5.074 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.247 -0.262 -3.610 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -7.105 -1.619 -4.670 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.971 -1.541 -3.199 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.896 -2.219 -3.733 1.00 0.00 C ATOM 0 H PHE A 97 -9.335 3.888 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.166 1.477 -7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.895 2.376 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.600 2.127 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.763 0.129 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.089 0.267 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.261 -2.147 -5.089 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.596 -2.017 -2.457 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.679 -3.226 -3.410 1.00 0.00 H new ATOM 1223 N THR A 98 -11.394 1.550 -6.871 1.00 0.00 N ATOM 1224 CA THR A 98 -12.629 0.884 -7.214 1.00 0.00 C ATOM 1225 C THR A 98 -12.642 0.422 -8.706 1.00 0.00 C ATOM 1226 O THR A 98 -13.330 -0.540 -9.065 1.00 0.00 O ATOM 1227 CB THR A 98 -13.845 1.823 -6.880 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.093 1.267 -7.307 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.661 3.210 -7.491 1.00 0.00 C ATOM 0 H THR A 98 -11.516 2.527 -6.606 1.00 0.00 H new ATOM 0 HA THR A 98 -12.716 -0.022 -6.614 1.00 0.00 H new ATOM 0 HB THR A 98 -13.871 1.915 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.821 1.882 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.519 3.834 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.753 3.665 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.579 3.122 -8.574 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.837 1.067 -9.553 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.794 0.723 -10.969 1.00 0.00 C ATOM 1239 C LYS A 99 -10.664 -0.269 -11.234 1.00 0.00 C ATOM 1240 O LYS A 99 -10.632 -0.924 -12.281 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.571 1.978 -11.822 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.476 3.144 -11.465 1.00 0.00 C ATOM 1243 CD LYS A 99 -13.933 2.890 -11.716 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.795 4.011 -11.110 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.375 5.372 -11.531 1.00 0.00 N ATOM 0 H LYS A 99 -11.211 1.825 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.749 0.272 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.533 2.294 -11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.723 1.722 -12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.337 3.388 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.167 4.018 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.116 2.824 -12.789 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.219 1.931 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.835 3.855 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.751 3.945 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.170 6.032 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.576 5.686 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.084 5.352 -12.529 1.00 0.00 H new ATOM 1259 N SER A 100 -9.744 -0.386 -10.278 1.00 0.00 N ATOM 1260 CA SER A 100 -8.579 -1.251 -10.414 1.00 0.00 C ATOM 1261 C SER A 100 -8.989 -2.723 -10.522 1.00 0.00 C ATOM 1262 O SER A 100 -8.379 -3.507 -11.271 1.00 0.00 O ATOM 1263 CB SER A 100 -7.641 -1.027 -9.237 1.00 0.00 C ATOM 1264 OG SER A 100 -7.358 0.356 -9.095 1.00 0.00 O ATOM 0 H SER A 100 -9.787 0.116 -9.391 1.00 0.00 H new ATOM 0 HA SER A 100 -8.057 -0.996 -11.336 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.095 -1.409 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.715 -1.582 -9.389 1.00 0.00 H new ATOM 0 HG SER A 100 -6.413 0.475 -8.865 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.048 -3.079 -9.829 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.557 -4.418 -9.888 1.00 0.00 C ATOM 1272 C GLY A 101 -11.388 -4.717 -8.690 1.00 0.00 C ATOM 1273 O GLY A 101 -12.602 -4.889 -8.784 1.00 0.00 O ATOM 0 H GLY A 101 -10.571 -2.452 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.153 -4.547 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.729 -5.125 -9.949 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.745 -4.769 -7.574 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.406 -5.004 -6.324 1.00 0.00 C ATOM 1279 C PHE A 102 -11.346 -3.744 -5.515 1.00 0.00 C ATOM 1280 O PHE A 102 -10.413 -2.971 -5.678 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.759 -6.177 -5.567 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.302 -6.001 -5.184 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.297 -6.169 -6.116 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.947 -5.706 -3.878 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.974 -6.046 -5.758 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.624 -5.579 -3.520 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.636 -5.750 -4.459 1.00 0.00 C ATOM 0 H PHE A 102 -9.735 -4.649 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.446 -5.277 -6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.333 -6.357 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.846 -7.072 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.553 -6.400 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.717 -5.574 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.200 -6.182 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.362 -5.344 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.598 -5.652 -4.178 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.330 -3.505 -4.692 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.284 -2.329 -3.846 1.00 0.00 C ATOM 1299 C LYS A 103 -12.159 -2.762 -2.389 1.00 0.00 C ATOM 1300 O LYS A 103 -11.922 -1.955 -1.516 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.518 -1.390 -4.049 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.776 -1.720 -3.223 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.358 -3.085 -3.521 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.483 -3.412 -2.555 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.102 -4.717 -2.838 1.00 0.00 N ATOM 0 H LYS A 103 -13.159 -4.090 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.410 -1.744 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.213 -0.370 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.789 -1.406 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.529 -1.664 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.535 -0.961 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.732 -3.111 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.578 -3.842 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.096 -3.410 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.243 -2.633 -2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.864 -4.896 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.496 -4.713 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.384 -5.466 -2.761 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.316 -4.054 -2.155 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.290 -4.573 -0.814 1.00 0.00 C ATOM 1321 C GLY A 104 -11.019 -5.312 -0.522 1.00 0.00 C ATOM 1322 O GLY A 104 -10.803 -6.413 -1.033 1.00 0.00 O ATOM 0 H GLY A 104 -12.462 -4.756 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.403 -3.752 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.139 -5.240 -0.667 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.183 -4.718 0.286 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.916 -5.312 0.650 1.00 0.00 C ATOM 1328 C ILE A 105 -9.090 -6.100 1.895 1.00 0.00 C ATOM 1329 O ILE A 105 -9.489 -5.593 2.941 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.828 -4.220 0.839 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.691 -3.423 -0.439 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.489 -4.838 1.204 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.954 -2.123 -0.268 1.00 0.00 C ATOM 0 H ILE A 105 -10.357 -3.808 0.713 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.585 -5.971 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.133 -3.565 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.171 -4.030 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.685 -3.217 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.747 -4.050 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.588 -5.396 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.171 -5.512 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.896 -1.609 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.484 -1.496 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.947 -2.321 0.099 1.00 0.00 H new ATOM 1345 N SER A 106 -8.884 -7.342 1.719 1.00 0.00 N ATOM 1346 CA SER A 106 -8.909 -8.311 2.724 1.00 0.00 C ATOM 1347 C SER A 106 -7.575 -8.474 3.479 1.00 0.00 C ATOM 1348 O SER A 106 -7.566 -8.899 4.633 1.00 0.00 O ATOM 1349 CB SER A 106 -9.417 -9.573 2.138 1.00 0.00 C ATOM 1350 OG SER A 106 -10.829 -9.614 2.075 1.00 0.00 O ATOM 0 H SER A 106 -8.679 -7.733 0.800 1.00 0.00 H new ATOM 0 HA SER A 106 -9.588 -7.980 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.009 -9.693 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.059 -10.415 2.731 1.00 0.00 H new ATOM 0 HG SER A 106 -11.111 -9.779 1.151 1.00 0.00 H new ATOM 1356 N SER A 107 -6.456 -8.205 2.815 1.00 0.00 N ATOM 1357 CA SER A 107 -5.155 -8.275 3.470 1.00 0.00 C ATOM 1358 C SER A 107 -4.155 -7.372 2.755 1.00 0.00 C ATOM 1359 O SER A 107 -4.324 -7.073 1.565 1.00 0.00 O ATOM 1360 CB SER A 107 -4.640 -9.728 3.573 1.00 0.00 C ATOM 1361 OG SER A 107 -4.482 -10.353 2.313 1.00 0.00 O ATOM 0 H SER A 107 -6.423 -7.938 1.831 1.00 0.00 H new ATOM 0 HA SER A 107 -5.271 -7.914 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.684 -9.732 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.335 -10.311 4.176 1.00 0.00 H new ATOM 0 HG SER A 107 -5.355 -10.433 1.876 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.137 -6.933 3.468 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.156 -6.004 2.937 1.00 0.00 C ATOM 1369 C ILE A 108 -0.771 -6.507 3.281 1.00 0.00 C ATOM 1370 O ILE A 108 -0.507 -6.810 4.432 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.301 -4.592 3.571 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.725 -4.055 3.417 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.298 -3.637 2.965 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.904 -2.672 3.966 1.00 0.00 C ATOM 0 H ILE A 108 -2.965 -7.210 4.434 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.313 -5.935 1.861 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.097 -4.679 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.993 -4.056 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.416 -4.730 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.412 -2.653 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.289 -4.006 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.469 -3.563 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.937 -2.355 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.668 -2.669 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.238 -1.985 3.445 1.00 0.00 H new ATOM 1386 N LYS A 109 0.110 -6.567 2.321 1.00 0.00 N ATOM 1387 CA LYS A 109 1.451 -7.031 2.578 1.00 0.00 C ATOM 1388 C LYS A 109 2.423 -5.907 2.281 1.00 0.00 C ATOM 1389 O LYS A 109 2.307 -5.238 1.257 1.00 0.00 O ATOM 1390 CB LYS A 109 1.797 -8.243 1.720 1.00 0.00 C ATOM 1391 CG LYS A 109 3.044 -8.991 2.196 1.00 0.00 C ATOM 1392 CD LYS A 109 3.535 -10.009 1.178 1.00 0.00 C ATOM 1393 CE LYS A 109 2.476 -11.007 0.774 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.931 -11.868 -0.336 1.00 0.00 N ATOM 0 H LYS A 109 -0.073 -6.301 1.353 1.00 0.00 H new ATOM 0 HA LYS A 109 1.520 -7.331 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.950 -8.929 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.948 -7.918 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.839 -8.273 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.823 -9.498 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.887 -9.484 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.390 -10.544 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.214 -11.627 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.571 -10.477 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.177 -12.540 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.157 -11.279 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.780 -12.393 -0.043 1.00 0.00 H new ATOM 1408 N ARG A 110 3.351 -5.684 3.165 1.00 0.00 N ATOM 1409 CA ARG A 110 4.324 -4.653 2.971 1.00 0.00 C ATOM 1410 C ARG A 110 5.618 -5.268 2.460 1.00 0.00 C ATOM 1411 O ARG A 110 6.151 -6.221 3.054 1.00 0.00 O ATOM 1412 CB ARG A 110 4.570 -3.899 4.267 1.00 0.00 C ATOM 1413 CG ARG A 110 5.513 -2.729 4.109 1.00 0.00 C ATOM 1414 CD ARG A 110 5.797 -2.094 5.442 1.00 0.00 C ATOM 1415 NE ARG A 110 6.831 -1.053 5.357 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.001 -0.050 6.235 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.167 0.120 7.245 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.018 0.779 6.089 1.00 0.00 N ATOM 0 H ARG A 110 3.453 -6.208 4.034 1.00 0.00 H new ATOM 0 HA ARG A 110 3.948 -3.943 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.618 -3.539 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.977 -4.587 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.445 -3.065 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.077 -1.992 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.879 -1.659 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.115 -2.862 6.147 1.00 0.00 H new ATOM 0 HE ARG A 110 7.473 -1.095 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.379 -0.516 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.311 0.887 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.669 0.656 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.153 1.542 6.752 1.00 0.00 H new ATOM 1432 N CYS A 111 6.097 -4.756 1.380 1.00 0.00 N ATOM 1433 CA CYS A 111 7.276 -5.234 0.762 1.00 0.00 C ATOM 1434 C CYS A 111 8.274 -4.100 0.638 1.00 0.00 C ATOM 1435 O CYS A 111 7.965 -2.939 0.951 1.00 0.00 O ATOM 1436 CB CYS A 111 6.919 -5.783 -0.610 1.00 0.00 C ATOM 1437 SG CYS A 111 5.616 -7.063 -0.582 1.00 0.00 S ATOM 0 H CYS A 111 5.665 -3.972 0.892 1.00 0.00 H new ATOM 0 HA CYS A 111 7.724 -6.027 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.592 -4.960 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.816 -6.202 -1.067 1.00 0.00 H new ATOM 1442 N ILE A 112 9.449 -4.429 0.241 1.00 0.00 N ATOM 1443 CA ILE A 112 10.491 -3.472 0.032 1.00 0.00 C ATOM 1444 C ILE A 112 11.065 -3.646 -1.342 1.00 0.00 C ATOM 1445 O ILE A 112 11.179 -4.769 -1.835 1.00 0.00 O ATOM 1446 CB ILE A 112 11.631 -3.615 1.056 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.005 -5.086 1.239 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.258 -2.978 2.376 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.343 -5.293 1.878 1.00 0.00 C ATOM 0 H ILE A 112 9.727 -5.391 0.046 1.00 0.00 H new ATOM 0 HA ILE A 112 10.046 -2.484 0.150 1.00 0.00 H new ATOM 0 HB ILE A 112 12.504 -3.088 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.243 -5.572 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.997 -5.577 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.081 -3.093 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.056 -1.918 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.367 -3.463 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.539 -6.361 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.116 -4.837 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.350 -4.832 2.866 1.00 0.00 H new ATOM 1461 N GLN A 113 11.414 -2.573 -1.953 1.00 0.00 N ATOM 1462 CA GLN A 113 12.016 -2.619 -3.239 1.00 0.00 C ATOM 1463 C GLN A 113 13.401 -2.053 -3.123 1.00 0.00 C ATOM 1464 O GLN A 113 13.600 -0.913 -2.703 1.00 0.00 O ATOM 1465 CB GLN A 113 11.178 -1.921 -4.310 1.00 0.00 C ATOM 1466 CG GLN A 113 11.701 -2.182 -5.714 1.00 0.00 C ATOM 1467 CD GLN A 113 10.724 -1.822 -6.807 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.909 -0.905 -6.681 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.768 -2.571 -7.874 1.00 0.00 N ATOM 0 H GLN A 113 11.291 -1.633 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 113 12.075 -3.654 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.145 -2.263 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.172 -0.848 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.620 -1.614 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.960 -3.237 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.456 -3.321 -7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.114 -2.407 -8.640 1.00 0.00 H new ATOM 1478 N THR A 114 14.331 -2.872 -3.440 1.00 0.00 N ATOM 1479 CA THR A 114 15.727 -2.609 -3.254 1.00 0.00 C ATOM 1480 C THR A 114 16.310 -1.733 -4.371 1.00 0.00 C ATOM 1481 O THR A 114 15.624 -1.376 -5.332 1.00 0.00 O ATOM 1482 CB THR A 114 16.448 -3.964 -3.272 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.122 -4.624 -4.492 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.006 -4.846 -2.109 1.00 0.00 C ATOM 0 H THR A 114 14.144 -3.785 -3.854 1.00 0.00 H new ATOM 0 HA THR A 114 15.862 -2.073 -2.314 1.00 0.00 H new ATOM 0 HB THR A 114 17.521 -3.792 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.247 -5.057 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.536 -5.798 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.233 -4.347 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.933 -5.025 -2.176 1.00 0.00 H new ATOM 1492 N LYS A 115 17.597 -1.420 -4.242 1.00 0.00 N ATOM 1493 CA LYS A 115 18.367 -0.730 -5.275 1.00 0.00 C ATOM 1494 C LYS A 115 18.496 -1.653 -6.493 1.00 0.00 C ATOM 1495 O LYS A 115 18.657 -1.207 -7.630 1.00 0.00 O ATOM 1496 CB LYS A 115 19.762 -0.371 -4.709 1.00 0.00 C ATOM 1497 CG LYS A 115 20.738 0.278 -5.692 1.00 0.00 C ATOM 1498 CD LYS A 115 20.227 1.594 -6.229 1.00 0.00 C ATOM 1499 CE LYS A 115 20.115 2.663 -5.147 1.00 0.00 C ATOM 1500 NZ LYS A 115 19.637 3.941 -5.698 1.00 0.00 N ATOM 0 H LYS A 115 18.141 -1.641 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 115 17.866 0.189 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.626 0.304 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.220 -1.281 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.695 0.439 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.920 -0.404 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.895 1.946 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.250 1.441 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.432 2.323 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.087 2.809 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.572 4.645 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.302 4.276 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.698 3.806 -6.125 1.00 0.00 H new ATOM 1514 N ASP A 116 18.368 -2.937 -6.224 1.00 0.00 N ATOM 1515 CA ASP A 116 18.452 -3.991 -7.227 1.00 0.00 C ATOM 1516 C ASP A 116 17.093 -4.160 -7.927 1.00 0.00 C ATOM 1517 O ASP A 116 16.952 -4.868 -8.932 1.00 0.00 O ATOM 1518 CB ASP A 116 18.835 -5.290 -6.496 1.00 0.00 C ATOM 1519 CG ASP A 116 18.981 -6.487 -7.393 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.016 -7.268 -7.521 1.00 0.00 O ATOM 1521 OD2 ASP A 116 20.076 -6.686 -7.951 1.00 0.00 O ATOM 0 H ASP A 116 18.199 -3.289 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 116 19.194 -3.744 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.774 -5.131 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.077 -5.506 -5.743 1.00 0.00 H new ATOM 1526 N GLY A 117 16.101 -3.480 -7.403 1.00 0.00 N ATOM 1527 CA GLY A 117 14.778 -3.514 -7.966 1.00 0.00 C ATOM 1528 C GLY A 117 13.970 -4.703 -7.492 1.00 0.00 C ATOM 1529 O GLY A 117 12.751 -4.750 -7.712 1.00 0.00 O ATOM 0 H GLY A 117 16.191 -2.890 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.253 -2.596 -7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.851 -3.540 -9.053 1.00 0.00 H new ATOM 1533 N LYS A 118 14.629 -5.664 -6.832 1.00 0.00 N ATOM 1534 CA LYS A 118 13.948 -6.839 -6.344 1.00 0.00 C ATOM 1535 C LYS A 118 13.012 -6.429 -5.215 1.00 0.00 C ATOM 1536 O LYS A 118 13.377 -5.578 -4.368 1.00 0.00 O ATOM 1537 CB LYS A 118 14.939 -7.943 -5.868 1.00 0.00 C ATOM 1538 CG LYS A 118 15.716 -7.626 -4.595 1.00 0.00 C ATOM 1539 CD LYS A 118 16.494 -8.826 -4.030 1.00 0.00 C ATOM 1540 CE LYS A 118 17.841 -9.130 -4.718 1.00 0.00 C ATOM 1541 NZ LYS A 118 17.746 -9.517 -6.143 1.00 0.00 N ATOM 0 H LYS A 118 15.629 -5.639 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 118 13.377 -7.273 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.379 -8.865 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.652 -8.136 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.415 -6.815 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.021 -7.265 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.679 -8.650 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.862 -9.712 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.478 -8.249 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.337 -9.933 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.529 -10.159 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.840 -9.998 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.803 -8.666 -6.738 1.00 0.00 H new ATOM 1555 N VAL A 119 11.826 -6.967 -5.224 1.00 0.00 N ATOM 1556 CA VAL A 119 10.853 -6.661 -4.212 1.00 0.00 C ATOM 1557 C VAL A 119 10.742 -7.842 -3.272 1.00 0.00 C ATOM 1558 O VAL A 119 10.297 -8.936 -3.663 1.00 0.00 O ATOM 1559 CB VAL A 119 9.446 -6.331 -4.808 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.463 -5.913 -3.717 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.541 -5.244 -5.850 1.00 0.00 C ATOM 0 H VAL A 119 11.506 -7.629 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 119 11.190 -5.770 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 119 9.075 -7.241 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.495 -5.691 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.352 -6.724 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.840 -5.026 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.548 -5.034 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.949 -4.340 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.195 -5.571 -6.659 1.00 0.00 H new ATOM 1571 N GLU A 120 11.179 -7.637 -2.069 1.00 0.00 N ATOM 1572 CA GLU A 120 11.106 -8.640 -1.047 1.00 0.00 C ATOM 1573 C GLU A 120 9.896 -8.363 -0.214 1.00 0.00 C ATOM 1574 O GLU A 120 9.569 -7.204 0.024 1.00 0.00 O ATOM 1575 CB GLU A 120 12.373 -8.658 -0.190 1.00 0.00 C ATOM 1576 CG GLU A 120 13.611 -9.099 -0.948 1.00 0.00 C ATOM 1577 CD GLU A 120 13.427 -10.466 -1.556 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.154 -10.562 -2.759 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.506 -11.475 -0.828 1.00 0.00 O ATOM 0 H GLU A 120 11.601 -6.760 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 120 11.027 -9.626 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.542 -7.661 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.219 -9.325 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.835 -8.377 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.467 -9.112 -0.273 1.00 0.00 H new ATOM 1586 N CYS A 121 9.250 -9.386 0.242 1.00 0.00 N ATOM 1587 CA CYS A 121 8.006 -9.228 0.943 1.00 0.00 C ATOM 1588 C CYS A 121 8.019 -9.990 2.234 1.00 0.00 C ATOM 1589 O CYS A 121 8.663 -11.036 2.336 1.00 0.00 O ATOM 1590 CB CYS A 121 6.856 -9.713 0.068 1.00 0.00 C ATOM 1591 SG CYS A 121 6.515 -8.683 -1.388 1.00 0.00 S ATOM 0 H CYS A 121 9.562 -10.352 0.143 1.00 0.00 H new ATOM 0 HA CYS A 121 7.870 -8.171 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.076 -10.727 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 121 5.953 -9.766 0.677 1.00 0.00 H new ATOM 1596 N ILE A 122 7.311 -9.474 3.219 1.00 0.00 N ATOM 1597 CA ILE A 122 7.263 -10.093 4.515 1.00 0.00 C ATOM 1598 C ILE A 122 6.272 -11.263 4.525 1.00 0.00 C ATOM 1599 O ILE A 122 5.085 -11.124 4.180 1.00 0.00 O ATOM 1600 CB ILE A 122 6.942 -9.063 5.656 1.00 0.00 C ATOM 1601 CG1 ILE A 122 6.988 -9.728 7.038 1.00 0.00 C ATOM 1602 CG2 ILE A 122 5.605 -8.360 5.441 1.00 0.00 C ATOM 1603 CD1 ILE A 122 8.361 -10.218 7.441 1.00 0.00 C ATOM 0 H ILE A 122 6.759 -8.620 3.138 1.00 0.00 H new ATOM 0 HA ILE A 122 8.258 -10.487 4.720 1.00 0.00 H new ATOM 0 HB ILE A 122 7.720 -8.301 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.634 -9.016 7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.296 -10.570 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.428 -7.658 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.626 -7.820 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.805 -9.099 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.309 -10.675 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.711 -10.955 6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 122 9.054 -9.377 7.466 1.00 0.00 H new ATOM 1615 N ASN A 123 6.777 -12.406 4.847 1.00 0.00 N ATOM 1616 CA ASN A 123 5.979 -13.592 4.962 1.00 0.00 C ATOM 1617 C ASN A 123 5.478 -13.729 6.362 1.00 0.00 C ATOM 1618 O ASN A 123 6.254 -13.937 7.288 1.00 0.00 O ATOM 1619 CB ASN A 123 6.777 -14.827 4.559 1.00 0.00 C ATOM 1620 CG ASN A 123 6.949 -14.945 3.063 1.00 0.00 C ATOM 1621 OD1 ASN A 123 7.870 -14.382 2.477 1.00 0.00 O ATOM 1622 ND2 ASN A 123 6.083 -15.698 2.433 1.00 0.00 N ATOM 0 H ASN A 123 7.768 -12.551 5.041 1.00 0.00 H new ATOM 0 HA ASN A 123 5.129 -13.507 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.758 -14.791 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 123 6.274 -15.718 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.162 -15.831 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.330 -16.151 2.950 1.00 0.00 H new ATOM 1629 N GLN A 124 4.208 -13.550 6.536 1.00 0.00 N ATOM 1630 CA GLN A 124 3.604 -13.693 7.826 1.00 0.00 C ATOM 1631 C GLN A 124 2.621 -14.826 7.770 1.00 0.00 C ATOM 1632 O GLN A 124 1.434 -14.583 7.510 1.00 0.00 O ATOM 1633 CB GLN A 124 2.931 -12.387 8.268 1.00 0.00 C ATOM 1634 CG GLN A 124 3.911 -11.248 8.482 1.00 0.00 C ATOM 1635 CD GLN A 124 3.254 -9.952 8.908 1.00 0.00 C ATOM 1636 OE1 GLN A 124 2.120 -9.648 8.533 1.00 0.00 O ATOM 1637 NE2 GLN A 124 3.952 -9.186 9.697 1.00 0.00 N ATOM 1638 OXT GLN A 124 3.047 -15.991 7.910 1.00 0.00 O ATOM 0 H GLN A 124 3.559 -13.301 5.790 1.00 0.00 H new ATOM 0 HA GLN A 124 4.370 -13.917 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 124 2.200 -12.091 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 124 2.383 -12.564 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.637 -11.543 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.464 -11.078 7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.888 -9.470 9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.563 -8.302 10.025 1.00 0.00 H new TER 1647 GLN A 124