USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot 180:sc= -0.184 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.334 USER MOD Single : A 8 SER OG : rot 12:sc= 0.309 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.918 K(o=0.92,f=-6.3!) USER MOD Single : A 18 THR OG1 : rot -71:sc= 2.12 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0424) USER MOD Single : A 26 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.9) USER MOD Single : A 35 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.199 (180deg=-1.31) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= 0.926 (180deg=-1.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.83 K(o=-0.83,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 23 N CYS A 4 2.204 -10.174 -4.934 1.00 0.00 N ATOM 24 CA CYS A 4 2.521 -10.799 -6.207 1.00 0.00 C ATOM 25 C CYS A 4 1.303 -10.668 -7.123 1.00 0.00 C ATOM 26 O CYS A 4 0.209 -11.108 -6.774 1.00 0.00 O ATOM 27 CB CYS A 4 2.948 -12.257 -6.031 1.00 0.00 C ATOM 28 SG CYS A 4 4.755 -12.517 -5.897 1.00 0.00 S ATOM 0 HA CYS A 4 3.372 -10.292 -6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.470 -12.655 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.574 -12.835 -6.876 1.00 0.00 H new ATOM 29 N ASP A 5 1.534 -10.060 -8.278 1.00 0.00 N ATOM 30 CA ASP A 5 0.478 -9.902 -9.263 1.00 0.00 C ATOM 31 C ASP A 5 0.872 -10.631 -10.549 1.00 0.00 C ATOM 32 O ASP A 5 0.342 -10.339 -11.621 1.00 0.00 O ATOM 33 CB ASP A 5 0.260 -8.426 -9.604 1.00 0.00 C ATOM 34 CG ASP A 5 -0.104 -7.534 -8.415 1.00 0.00 C ATOM 35 OD1 ASP A 5 0.619 -7.485 -7.409 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.195 -6.862 -8.553 1.00 0.00 O ATOM 0 H ASP A 5 2.436 -9.671 -8.553 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.439 -10.315 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.168 -8.038 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.533 -8.354 -10.349 1.00 0.00 H new ATOM 37 N CYS A 6 1.800 -11.565 -10.401 1.00 0.00 N ATOM 38 CA CYS A 6 2.277 -12.333 -11.538 1.00 0.00 C ATOM 39 C CYS A 6 2.340 -13.807 -11.131 1.00 0.00 C ATOM 40 O CYS A 6 1.502 -14.605 -11.548 1.00 0.00 O ATOM 41 CB CYS A 6 3.629 -11.821 -12.039 1.00 0.00 C ATOM 42 SG CYS A 6 4.685 -11.059 -10.754 1.00 0.00 S ATOM 0 H CYS A 6 2.234 -11.807 -9.510 1.00 0.00 H new ATOM 0 HA CYS A 6 1.586 -12.217 -12.373 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.172 -12.652 -12.490 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.455 -11.089 -12.827 1.00 0.00 H new ATOM 43 N GLY A 7 3.340 -14.122 -10.321 1.00 0.00 N ATOM 44 CA GLY A 7 3.564 -15.497 -9.911 1.00 0.00 C ATOM 45 C GLY A 7 4.348 -16.266 -10.977 1.00 0.00 C ATOM 46 O GLY A 7 4.176 -17.475 -11.126 1.00 0.00 O ATOM 0 H GLY A 7 4.004 -13.449 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.111 -15.515 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.607 -15.988 -9.733 1.00 0.00 H new ATOM 47 N SER A 8 5.190 -15.534 -11.690 1.00 0.00 N ATOM 48 CA SER A 8 5.989 -16.130 -12.748 1.00 0.00 C ATOM 49 C SER A 8 7.306 -15.365 -12.903 1.00 0.00 C ATOM 50 O SER A 8 7.332 -14.140 -12.797 1.00 0.00 O ATOM 51 CB SER A 8 5.225 -16.145 -14.073 1.00 0.00 C ATOM 52 OG SER A 8 4.213 -17.148 -14.095 1.00 0.00 O ATOM 0 H SER A 8 5.337 -14.534 -11.556 1.00 0.00 H new ATOM 0 HA SER A 8 6.206 -17.162 -12.473 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.771 -15.168 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.923 -16.317 -14.892 1.00 0.00 H new ATOM 0 HG SER A 8 4.084 -17.503 -13.191 1.00 0.00 H new ATOM 53 N PRO A 9 8.393 -16.139 -13.157 1.00 0.00 N ATOM 54 CA PRO A 9 9.695 -15.544 -13.408 1.00 0.00 C ATOM 55 C PRO A 9 9.757 -14.935 -14.811 1.00 0.00 C ATOM 56 O PRO A 9 10.280 -13.837 -14.992 1.00 0.00 O ATOM 57 CB PRO A 9 10.691 -16.674 -13.207 1.00 0.00 C ATOM 58 CG PRO A 9 9.888 -17.961 -13.307 1.00 0.00 C ATOM 59 CD PRO A 9 8.414 -17.599 -13.212 1.00 0.00 C ATOM 0 HA PRO A 9 9.915 -14.714 -12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.475 -16.643 -13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.182 -16.594 -12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.096 -18.469 -14.249 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.165 -18.647 -12.507 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.859 -17.971 -14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.956 -18.035 -12.325 1.00 0.00 H new ATOM 60 N SER A 10 9.216 -15.675 -15.767 1.00 0.00 N ATOM 61 CA SER A 10 9.267 -15.255 -17.158 1.00 0.00 C ATOM 62 C SER A 10 8.600 -13.887 -17.315 1.00 0.00 C ATOM 63 O SER A 10 8.936 -13.131 -18.224 1.00 0.00 O ATOM 64 CB SER A 10 8.593 -16.284 -18.068 1.00 0.00 C ATOM 65 OG SER A 10 8.569 -15.858 -19.428 1.00 0.00 O ATOM 0 H SER A 10 8.740 -16.563 -15.607 1.00 0.00 H new ATOM 0 HA SER A 10 10.313 -15.178 -17.456 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.122 -17.234 -17.995 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.573 -16.459 -17.725 1.00 0.00 H new ATOM 0 HG SER A 10 8.132 -16.542 -19.977 1.00 0.00 H new ATOM 66 N ASN A 11 7.665 -13.614 -16.417 1.00 0.00 N ATOM 67 CA ASN A 11 6.967 -12.340 -16.428 1.00 0.00 C ATOM 68 C ASN A 11 7.989 -11.201 -16.408 1.00 0.00 C ATOM 69 O ASN A 11 8.712 -11.029 -15.428 1.00 0.00 O ATOM 70 CB ASN A 11 6.070 -12.192 -15.198 1.00 0.00 C ATOM 71 CG ASN A 11 5.198 -10.938 -15.302 1.00 0.00 C ATOM 72 OD1 ASN A 11 5.374 -9.967 -14.585 1.00 0.00 O ATOM 73 ND2 ASN A 11 4.251 -11.014 -16.233 1.00 0.00 N ATOM 0 H ASN A 11 7.375 -14.253 -15.677 1.00 0.00 H new ATOM 0 HA ASN A 11 6.354 -12.301 -17.328 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.436 -13.073 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.685 -12.138 -14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.617 -10.229 -16.381 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.159 -11.858 -16.799 1.00 0.00 H new ATOM 74 N PRO A 12 8.018 -10.434 -17.531 1.00 0.00 N ATOM 75 CA PRO A 12 8.998 -9.373 -17.687 1.00 0.00 C ATOM 76 C PRO A 12 8.635 -8.161 -16.827 1.00 0.00 C ATOM 77 O PRO A 12 9.472 -7.294 -16.586 1.00 0.00 O ATOM 78 CB PRO A 12 9.008 -9.064 -19.176 1.00 0.00 C ATOM 79 CG PRO A 12 7.710 -9.631 -19.728 1.00 0.00 C ATOM 80 CD PRO A 12 7.121 -10.557 -18.677 1.00 0.00 C ATOM 0 HA PRO A 12 9.992 -9.664 -17.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.071 -7.990 -19.352 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.871 -9.518 -19.663 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.012 -8.827 -19.963 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.894 -10.174 -20.655 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.104 -10.265 -18.417 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.075 -11.585 -19.036 1.00 0.00 H new ATOM 81 N CYS A 13 7.385 -8.140 -16.387 1.00 0.00 N ATOM 82 CA CYS A 13 6.857 -6.982 -15.686 1.00 0.00 C ATOM 83 C CYS A 13 7.383 -7.010 -14.250 1.00 0.00 C ATOM 84 O CYS A 13 7.772 -5.977 -13.708 1.00 0.00 O ATOM 85 CB CYS A 13 5.328 -6.940 -15.734 1.00 0.00 C ATOM 86 SG CYS A 13 4.609 -7.107 -17.408 1.00 0.00 S ATOM 0 H CYS A 13 6.723 -8.907 -16.503 1.00 0.00 H new ATOM 0 HA CYS A 13 7.195 -6.070 -16.178 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.937 -7.739 -15.104 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.990 -5.998 -15.301 1.00 0.00 H new ATOM 87 N CYS A 14 7.376 -8.203 -13.674 1.00 0.00 N ATOM 88 CA CYS A 14 7.861 -8.381 -12.316 1.00 0.00 C ATOM 89 C CYS A 14 9.140 -9.220 -12.370 1.00 0.00 C ATOM 90 O CYS A 14 9.556 -9.657 -13.441 1.00 0.00 O ATOM 91 CB CYS A 14 6.800 -9.015 -11.414 1.00 0.00 C ATOM 92 SG CYS A 14 6.483 -10.789 -11.733 1.00 0.00 S ATOM 0 H CYS A 14 7.042 -9.056 -14.123 1.00 0.00 H new ATOM 0 HA CYS A 14 8.083 -7.409 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.108 -8.896 -10.375 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.866 -8.466 -11.534 1.00 0.00 H new ATOM 93 N ASP A 15 9.729 -9.418 -11.199 1.00 0.00 N ATOM 94 CA ASP A 15 10.992 -10.132 -11.108 1.00 0.00 C ATOM 95 C ASP A 15 10.879 -11.224 -10.044 1.00 0.00 C ATOM 96 O ASP A 15 9.799 -11.467 -9.509 1.00 0.00 O ATOM 97 CB ASP A 15 12.127 -9.191 -10.701 1.00 0.00 C ATOM 98 CG ASP A 15 13.481 -9.493 -11.348 1.00 0.00 C ATOM 99 OD1 ASP A 15 13.758 -10.635 -11.744 1.00 0.00 O ATOM 100 OD2 ASP A 15 14.279 -8.484 -11.438 1.00 0.00 O ATOM 0 H ASP A 15 9.355 -9.097 -10.306 1.00 0.00 H new ATOM 0 HA ASP A 15 11.210 -10.559 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.840 -8.170 -10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.242 -9.232 -9.618 1.00 0.00 H new ATOM 101 N ALA A 16 12.011 -11.857 -9.769 1.00 0.00 N ATOM 102 CA ALA A 16 12.066 -12.877 -8.737 1.00 0.00 C ATOM 103 C ALA A 16 12.369 -12.218 -7.390 1.00 0.00 C ATOM 104 O ALA A 16 11.824 -12.618 -6.362 1.00 0.00 O ATOM 105 CB ALA A 16 13.108 -13.932 -9.116 1.00 0.00 C ATOM 0 H ALA A 16 12.897 -11.682 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 16 11.105 -13.384 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.149 -14.698 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.832 -14.391 -10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.086 -13.460 -9.212 1.00 0.00 H new ATOM 106 N ALA A 17 13.235 -11.217 -7.438 1.00 0.00 N ATOM 107 CA ALA A 17 13.644 -10.521 -6.230 1.00 0.00 C ATOM 108 C ALA A 17 12.624 -9.425 -5.909 1.00 0.00 C ATOM 109 O ALA A 17 12.734 -8.750 -4.887 1.00 0.00 O ATOM 110 CB ALA A 17 15.058 -9.966 -6.413 1.00 0.00 C ATOM 0 H ALA A 17 13.665 -10.871 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 17 13.671 -11.206 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.364 -9.444 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.748 -10.786 -6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.070 -9.272 -7.253 1.00 0.00 H new ATOM 111 N THR A 18 11.654 -9.284 -6.801 1.00 0.00 N ATOM 112 CA THR A 18 10.611 -8.290 -6.620 1.00 0.00 C ATOM 113 C THR A 18 9.378 -8.656 -7.447 1.00 0.00 C ATOM 114 O THR A 18 8.955 -7.888 -8.311 1.00 0.00 O ATOM 115 CB THR A 18 11.197 -6.921 -6.976 1.00 0.00 C ATOM 116 OG1 THR A 18 10.059 -6.065 -7.043 1.00 0.00 O ATOM 117 CG2 THR A 18 11.777 -6.881 -8.390 1.00 0.00 C ATOM 0 H THR A 18 11.569 -9.842 -7.651 1.00 0.00 H new ATOM 0 HA THR A 18 10.271 -8.256 -5.585 1.00 0.00 H new ATOM 0 HB THR A 18 11.975 -6.661 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.534 -6.281 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.179 -5.888 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.574 -7.619 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.992 -7.107 -9.112 1.00 0.00 H new ATOM 118 N CYS A 19 8.834 -9.828 -7.154 1.00 0.00 N ATOM 119 CA CYS A 19 7.635 -10.289 -7.834 1.00 0.00 C ATOM 120 C CYS A 19 6.548 -9.226 -7.664 1.00 0.00 C ATOM 121 O CYS A 19 5.536 -9.251 -8.364 1.00 0.00 O ATOM 122 CB CYS A 19 7.183 -11.656 -7.317 1.00 0.00 C ATOM 123 SG CYS A 19 5.471 -12.118 -7.770 1.00 0.00 S ATOM 0 H CYS A 19 9.202 -10.473 -6.454 1.00 0.00 H new ATOM 0 HA CYS A 19 7.844 -10.426 -8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.863 -12.417 -7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.272 -11.666 -6.231 1.00 0.00 H new ATOM 124 N LYS A 20 6.794 -8.318 -6.731 1.00 0.00 N ATOM 125 CA LYS A 20 5.901 -7.188 -6.534 1.00 0.00 C ATOM 126 C LYS A 20 6.205 -6.115 -7.581 1.00 0.00 C ATOM 127 O LYS A 20 7.176 -5.372 -7.452 1.00 0.00 O ATOM 128 CB LYS A 20 5.989 -6.681 -5.093 1.00 0.00 C ATOM 129 CG LYS A 20 5.837 -7.833 -4.097 1.00 0.00 C ATOM 130 CD LYS A 20 7.092 -7.982 -3.235 1.00 0.00 C ATOM 131 CE LYS A 20 6.885 -9.032 -2.141 1.00 0.00 C ATOM 132 NZ LYS A 20 6.783 -10.384 -2.734 1.00 0.00 N ATOM 0 H LYS A 20 7.598 -8.341 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 20 4.864 -7.492 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.946 -6.184 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.211 -5.938 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.972 -7.654 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.649 -8.762 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.937 -8.267 -3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.342 -7.023 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.715 -8.999 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.979 -8.806 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.745 -11.094 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.919 -10.446 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.613 -10.563 -3.334 1.00 0.00 H new ATOM 133 N LEU A 21 5.356 -6.068 -8.598 1.00 0.00 N ATOM 134 CA LEU A 21 5.551 -5.137 -9.695 1.00 0.00 C ATOM 135 C LEU A 21 5.466 -3.705 -9.164 1.00 0.00 C ATOM 136 O LEU A 21 4.910 -3.468 -8.092 1.00 0.00 O ATOM 137 CB LEU A 21 4.569 -5.431 -10.830 1.00 0.00 C ATOM 138 CG LEU A 21 3.139 -4.927 -10.627 1.00 0.00 C ATOM 139 CD1 LEU A 21 2.577 -5.397 -9.283 1.00 0.00 C ATOM 140 CD2 LEU A 21 3.067 -3.405 -10.777 1.00 0.00 C ATOM 0 H LEU A 21 4.531 -6.661 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 21 6.545 -5.260 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.962 -4.991 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.535 -6.510 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 21 2.512 -5.358 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.559 -5.025 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.571 -6.487 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.200 -5.015 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.040 -3.073 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.712 -2.935 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.399 -3.122 -11.776 1.00 0.00 H new ATOM 141 N ARG A 22 6.026 -2.786 -9.937 1.00 0.00 N ATOM 142 CA ARG A 22 6.333 -1.462 -9.424 1.00 0.00 C ATOM 143 C ARG A 22 5.309 -0.445 -9.931 1.00 0.00 C ATOM 144 O ARG A 22 4.476 -0.766 -10.776 1.00 0.00 O ATOM 145 CB ARG A 22 7.735 -1.019 -9.849 1.00 0.00 C ATOM 146 CG ARG A 22 8.536 -2.196 -10.408 1.00 0.00 C ATOM 147 CD ARG A 22 10.030 -1.867 -10.460 1.00 0.00 C ATOM 148 NE ARG A 22 10.547 -1.647 -9.091 1.00 0.00 N ATOM 149 CZ ARG A 22 10.586 -2.591 -8.141 1.00 0.00 C ATOM 150 NH1 ARG A 22 10.336 -3.869 -8.457 1.00 0.00 N ATOM 151 NH2 ARG A 22 10.876 -2.258 -6.876 1.00 0.00 N ATOM 0 H ARG A 22 6.275 -2.933 -10.915 1.00 0.00 H new ATOM 0 HA ARG A 22 6.293 -1.511 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.660 -0.235 -10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.259 -0.591 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.375 -3.077 -9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.179 -2.441 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.574 -2.682 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.194 -0.977 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 22 10.896 -0.718 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.116 -4.123 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.366 -4.588 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.067 -1.285 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.905 -2.977 -6.153 1.00 0.00 H new ATOM 152 N PRO A 23 5.406 0.794 -9.377 1.00 0.00 N ATOM 153 CA PRO A 23 4.511 1.865 -9.778 1.00 0.00 C ATOM 154 C PRO A 23 4.891 2.412 -11.154 1.00 0.00 C ATOM 155 O PRO A 23 5.995 2.922 -11.340 1.00 0.00 O ATOM 156 CB PRO A 23 4.622 2.904 -8.674 1.00 0.00 C ATOM 157 CG PRO A 23 5.913 2.593 -7.936 1.00 0.00 C ATOM 158 CD PRO A 23 6.368 1.205 -8.360 1.00 0.00 C ATOM 0 HA PRO A 23 3.480 1.531 -9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.642 3.912 -9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.766 2.852 -8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.676 3.334 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.755 2.631 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.382 1.226 -8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.372 0.515 -7.516 1.00 0.00 H new ATOM 159 N GLY A 24 3.956 2.288 -12.085 1.00 0.00 N ATOM 160 CA GLY A 24 4.260 2.520 -13.487 1.00 0.00 C ATOM 161 C GLY A 24 3.494 1.544 -14.383 1.00 0.00 C ATOM 162 O GLY A 24 2.988 1.929 -15.436 1.00 0.00 O ATOM 0 H GLY A 24 2.988 2.030 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.001 3.544 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.331 2.408 -13.654 1.00 0.00 H new ATOM 163 N ALA A 25 3.434 0.300 -13.932 1.00 0.00 N ATOM 164 CA ALA A 25 2.541 -0.673 -14.538 1.00 0.00 C ATOM 165 C ALA A 25 1.256 -0.764 -13.711 1.00 0.00 C ATOM 166 O ALA A 25 1.256 -0.447 -12.521 1.00 0.00 O ATOM 167 CB ALA A 25 3.255 -2.020 -14.654 1.00 0.00 C ATOM 0 H ALA A 25 3.989 -0.057 -13.154 1.00 0.00 H new ATOM 0 HA ALA A 25 2.264 -0.363 -15.546 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.584 -2.749 -15.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.144 -1.908 -15.275 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.546 -2.364 -13.662 1.00 0.00 H new ATOM 168 N GLN A 26 0.194 -1.198 -14.372 1.00 0.00 N ATOM 169 CA GLN A 26 -1.088 -1.357 -13.707 1.00 0.00 C ATOM 170 C GLN A 26 -1.191 -2.747 -13.075 1.00 0.00 C ATOM 171 O GLN A 26 -1.993 -2.963 -12.169 1.00 0.00 O ATOM 172 CB GLN A 26 -2.244 -1.109 -14.677 1.00 0.00 C ATOM 173 CG GLN A 26 -3.140 0.029 -14.185 1.00 0.00 C ATOM 174 CD GLN A 26 -3.849 -0.354 -12.884 1.00 0.00 C ATOM 175 OE1 GLN A 26 -4.284 -1.478 -12.692 1.00 0.00 O ATOM 176 NE2 GLN A 26 -3.940 0.640 -12.005 1.00 0.00 N ATOM 0 H GLN A 26 0.195 -1.445 -15.362 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.157 -0.613 -12.913 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.849 -0.865 -15.663 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.834 -2.019 -14.786 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.541 0.926 -14.026 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.879 0.271 -14.949 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.554 1.557 -12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.396 0.485 -11.106 1.00 0.00 H new ATOM 177 N CYS A 27 -0.365 -3.653 -13.580 1.00 0.00 N ATOM 178 CA CYS A 27 -0.365 -5.020 -13.089 1.00 0.00 C ATOM 179 C CYS A 27 0.920 -5.701 -13.564 1.00 0.00 C ATOM 180 O CYS A 27 1.677 -5.128 -14.348 1.00 0.00 O ATOM 181 CB CYS A 27 -1.614 -5.782 -13.537 1.00 0.00 C ATOM 182 SG CYS A 27 -2.027 -5.604 -15.311 1.00 0.00 S ATOM 0 H CYS A 27 0.308 -3.466 -14.324 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.392 -5.018 -11.999 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.476 -6.840 -13.315 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.463 -5.440 -12.945 1.00 0.00 H new ATOM 183 N ALA A 28 1.127 -6.913 -13.072 1.00 0.00 N ATOM 184 CA ALA A 28 2.264 -7.711 -13.499 1.00 0.00 C ATOM 185 C ALA A 28 1.801 -8.736 -14.536 1.00 0.00 C ATOM 186 O ALA A 28 2.498 -8.990 -15.518 1.00 0.00 O ATOM 187 CB ALA A 28 2.914 -8.367 -12.280 1.00 0.00 C ATOM 0 H ALA A 28 0.526 -7.363 -12.381 1.00 0.00 H new ATOM 0 HA ALA A 28 3.019 -7.082 -13.971 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.767 -8.966 -12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.252 -7.595 -11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.187 -9.008 -11.781 1.00 0.00 H new ATOM 188 N ASP A 29 0.629 -9.299 -14.282 1.00 0.00 N ATOM 189 CA ASP A 29 0.095 -10.338 -15.147 1.00 0.00 C ATOM 190 C ASP A 29 -1.261 -10.797 -14.608 1.00 0.00 C ATOM 191 O ASP A 29 -1.584 -10.558 -13.445 1.00 0.00 O ATOM 192 CB ASP A 29 1.024 -11.552 -15.187 1.00 0.00 C ATOM 193 CG ASP A 29 0.316 -12.909 -15.159 1.00 0.00 C ATOM 194 OD1 ASP A 29 -0.098 -13.332 -16.306 1.00 0.00 O ATOM 195 OD2 ASP A 29 0.167 -13.530 -14.097 1.00 0.00 O ATOM 0 H ASP A 29 0.034 -9.056 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.001 -9.925 -16.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.633 -11.495 -16.089 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.706 -11.497 -14.338 1.00 0.00 H new ATOM 196 N GLY A 30 -2.019 -11.448 -15.478 1.00 0.00 N ATOM 197 CA GLY A 30 -3.320 -11.969 -15.094 1.00 0.00 C ATOM 198 C GLY A 30 -4.077 -12.504 -16.312 1.00 0.00 C ATOM 199 O GLY A 30 -3.569 -12.460 -17.432 1.00 0.00 O ATOM 0 H GLY A 30 -1.757 -11.627 -16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.195 -12.765 -14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.904 -11.183 -14.615 1.00 0.00 H new ATOM 200 N LEU A 31 -5.279 -12.997 -16.052 1.00 0.00 N ATOM 201 CA LEU A 31 -6.133 -13.488 -17.121 1.00 0.00 C ATOM 202 C LEU A 31 -6.595 -12.311 -17.981 1.00 0.00 C ATOM 203 O LEU A 31 -6.855 -12.472 -19.173 1.00 0.00 O ATOM 204 CB LEU A 31 -7.283 -14.319 -16.547 1.00 0.00 C ATOM 205 CG LEU A 31 -6.921 -15.728 -16.072 1.00 0.00 C ATOM 206 CD1 LEU A 31 -8.012 -16.298 -15.164 1.00 0.00 C ATOM 207 CD2 LEU A 31 -6.623 -16.647 -17.259 1.00 0.00 C ATOM 0 H LEU A 31 -5.682 -13.067 -15.118 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.578 -14.161 -17.774 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.715 -13.774 -15.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.060 -14.402 -17.307 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.009 -15.665 -15.478 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.730 -17.300 -14.841 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.132 -15.656 -14.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.953 -16.345 -15.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.369 -17.642 -16.894 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.502 -16.710 -17.900 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.786 -16.245 -17.829 1.00 0.00 H new ATOM 208 N CYS A 32 -6.682 -11.152 -17.345 1.00 0.00 N ATOM 209 CA CYS A 32 -7.051 -9.936 -18.050 1.00 0.00 C ATOM 210 C CYS A 32 -5.906 -8.932 -17.907 1.00 0.00 C ATOM 211 O CYS A 32 -6.141 -7.727 -17.815 1.00 0.00 O ATOM 212 CB CYS A 32 -8.377 -9.367 -17.542 1.00 0.00 C ATOM 213 SG CYS A 32 -9.830 -10.445 -17.818 1.00 0.00 S ATOM 0 H CYS A 32 -6.503 -11.029 -16.348 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.208 -10.158 -19.105 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.286 -9.170 -16.474 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.555 -8.408 -18.029 1.00 0.00 H new ATOM 214 N CYS A 33 -4.693 -9.463 -17.891 1.00 0.00 N ATOM 215 CA CYS A 33 -3.509 -8.624 -17.824 1.00 0.00 C ATOM 216 C CYS A 33 -2.331 -9.407 -18.409 1.00 0.00 C ATOM 217 O CYS A 33 -1.925 -10.428 -17.859 1.00 0.00 O ATOM 218 CB CYS A 33 -3.228 -8.156 -16.394 1.00 0.00 C ATOM 219 SG CYS A 33 -1.587 -7.385 -16.148 1.00 0.00 S ATOM 0 H CYS A 33 -4.504 -10.465 -17.923 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.669 -7.718 -18.409 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.997 -7.441 -16.103 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.317 -9.010 -15.723 1.00 0.00 H new ATOM 220 N ASP A 34 -1.816 -8.897 -19.518 1.00 0.00 N ATOM 221 CA ASP A 34 -0.692 -9.533 -20.184 1.00 0.00 C ATOM 222 C ASP A 34 0.040 -8.499 -21.041 1.00 0.00 C ATOM 223 O ASP A 34 0.245 -8.710 -22.236 1.00 0.00 O ATOM 224 CB ASP A 34 -1.163 -10.662 -21.102 1.00 0.00 C ATOM 225 CG ASP A 34 -0.071 -11.647 -21.528 1.00 0.00 C ATOM 226 OD1 ASP A 34 0.230 -12.614 -20.812 1.00 0.00 O ATOM 227 OD2 ASP A 34 0.487 -11.386 -22.661 1.00 0.00 O ATOM 0 H ASP A 34 -2.157 -8.050 -19.972 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.034 -9.943 -19.418 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.954 -11.216 -20.596 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.604 -10.223 -21.997 1.00 0.00 H new ATOM 228 N GLN A 35 0.416 -7.403 -20.398 1.00 0.00 N ATOM 229 CA GLN A 35 1.195 -6.374 -21.065 1.00 0.00 C ATOM 230 C GLN A 35 1.681 -5.336 -20.051 1.00 0.00 C ATOM 231 O GLN A 35 1.800 -4.156 -20.376 1.00 0.00 O ATOM 232 CB GLN A 35 0.389 -5.713 -22.185 1.00 0.00 C ATOM 233 CG GLN A 35 -0.928 -5.148 -21.650 1.00 0.00 C ATOM 234 CD GLN A 35 -1.801 -4.620 -22.792 1.00 0.00 C ATOM 235 OE1 GLN A 35 -2.646 -5.314 -23.334 1.00 0.00 O ATOM 236 NE2 GLN A 35 -1.550 -3.357 -23.125 1.00 0.00 N ATOM 0 H GLN A 35 0.195 -7.205 -19.422 1.00 0.00 H new ATOM 0 HA GLN A 35 2.067 -6.844 -21.521 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.975 -4.913 -22.637 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.185 -6.441 -22.970 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.466 -5.923 -21.105 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.723 -4.345 -20.943 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.828 -2.833 -22.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.079 -2.913 -23.875 1.00 0.00 H new ATOM 237 N CYS A 36 1.947 -5.813 -18.845 1.00 0.00 N ATOM 238 CA CYS A 36 2.225 -4.921 -17.732 1.00 0.00 C ATOM 239 C CYS A 36 1.074 -3.918 -17.623 1.00 0.00 C ATOM 240 O CYS A 36 1.268 -2.793 -17.163 1.00 0.00 O ATOM 241 CB CYS A 36 3.577 -4.224 -17.888 1.00 0.00 C ATOM 242 SG CYS A 36 4.969 -5.336 -18.302 1.00 0.00 S ATOM 0 H CYS A 36 1.976 -6.806 -18.613 1.00 0.00 H new ATOM 0 HA CYS A 36 2.293 -5.497 -16.809 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.492 -3.466 -18.667 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.810 -3.702 -16.960 1.00 0.00 H new ATOM 243 N ARG A 37 -0.098 -4.360 -18.054 1.00 0.00 N ATOM 244 CA ARG A 37 -1.280 -3.516 -18.006 1.00 0.00 C ATOM 245 C ARG A 37 -2.531 -4.337 -18.328 1.00 0.00 C ATOM 246 O ARG A 37 -2.460 -5.557 -18.456 1.00 0.00 O ATOM 247 CB ARG A 37 -1.169 -2.357 -19.000 1.00 0.00 C ATOM 248 CG ARG A 37 -1.120 -1.014 -18.270 1.00 0.00 C ATOM 249 CD ARG A 37 -0.596 0.091 -19.190 1.00 0.00 C ATOM 250 NE ARG A 37 0.875 0.194 -19.068 1.00 0.00 N ATOM 251 CZ ARG A 37 1.505 0.805 -18.057 1.00 0.00 C ATOM 252 NH1 ARG A 37 0.797 1.330 -17.046 1.00 0.00 N ATOM 253 NH2 ARG A 37 2.842 0.891 -18.053 1.00 0.00 N ATOM 0 H ARG A 37 -0.255 -5.292 -18.438 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.357 -3.109 -16.998 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.272 -2.478 -19.607 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.020 -2.374 -19.681 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.116 -0.753 -17.913 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.479 -1.096 -17.392 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.870 -0.124 -20.223 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.059 1.043 -18.929 1.00 0.00 H new ATOM 0 HE ARG A 37 1.446 -0.227 -19.801 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.221 1.264 -17.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.276 1.796 -16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.381 0.491 -18.821 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.321 1.357 -17.282 1.00 0.00 H new ATOM 254 N PHE A 38 -3.646 -3.632 -18.449 1.00 0.00 N ATOM 255 CA PHE A 38 -4.902 -4.274 -18.804 1.00 0.00 C ATOM 256 C PHE A 38 -4.937 -4.623 -20.292 1.00 0.00 C ATOM 257 O PHE A 38 -4.186 -4.057 -21.085 1.00 0.00 O ATOM 258 CB PHE A 38 -6.016 -3.270 -18.502 1.00 0.00 C ATOM 259 CG PHE A 38 -6.222 -2.999 -17.010 1.00 0.00 C ATOM 260 CD1 PHE A 38 -6.543 -4.021 -16.170 1.00 0.00 C ATOM 261 CD2 PHE A 38 -6.085 -1.737 -16.523 1.00 0.00 C ATOM 262 CE1 PHE A 38 -6.734 -3.769 -14.786 1.00 0.00 C ATOM 263 CE2 PHE A 38 -6.275 -1.485 -15.138 1.00 0.00 C ATOM 264 CZ PHE A 38 -6.596 -2.507 -14.299 1.00 0.00 C ATOM 0 H PHE A 38 -3.707 -2.624 -18.308 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.021 -5.198 -18.239 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.789 -2.329 -19.004 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.949 -3.640 -18.926 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.652 -5.024 -16.556 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.832 -0.926 -17.189 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.989 -4.580 -14.120 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.165 -0.483 -14.751 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.741 -2.316 -13.246 1.00 0.00 H new ATOM 265 N LYS A 39 -5.817 -5.556 -20.628 1.00 0.00 N ATOM 266 CA LYS A 39 -6.047 -5.902 -22.020 1.00 0.00 C ATOM 267 C LYS A 39 -7.528 -5.707 -22.352 1.00 0.00 C ATOM 268 O LYS A 39 -8.392 -5.939 -21.508 1.00 0.00 O ATOM 269 CB LYS A 39 -5.532 -7.313 -22.312 1.00 0.00 C ATOM 270 CG LYS A 39 -5.897 -8.276 -21.181 1.00 0.00 C ATOM 271 CD LYS A 39 -5.740 -9.731 -21.627 1.00 0.00 C ATOM 272 CE LYS A 39 -4.341 -10.257 -21.299 1.00 0.00 C ATOM 273 NZ LYS A 39 -4.152 -11.613 -21.860 1.00 0.00 N ATOM 0 H LYS A 39 -6.379 -6.083 -19.959 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.483 -5.239 -22.676 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.956 -7.671 -23.250 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.450 -7.290 -22.439 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.260 -8.086 -20.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.925 -8.098 -20.864 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.490 -10.349 -21.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.919 -9.808 -22.699 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.588 -9.581 -21.704 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.199 -10.281 -20.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.801 -12.250 -21.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.060 -11.969 -22.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.462 -11.574 -22.637 1.00 0.00 H new ATOM 274 N LYS A 40 -7.774 -5.282 -23.583 1.00 0.00 N ATOM 275 CA LYS A 40 -9.078 -4.751 -23.943 1.00 0.00 C ATOM 276 C LYS A 40 -10.111 -5.878 -23.904 1.00 0.00 C ATOM 277 O LYS A 40 -9.755 -7.049 -23.778 1.00 0.00 O ATOM 278 CB LYS A 40 -9.006 -4.028 -25.291 1.00 0.00 C ATOM 279 CG LYS A 40 -8.468 -4.955 -26.383 1.00 0.00 C ATOM 280 CD LYS A 40 -8.960 -4.518 -27.764 1.00 0.00 C ATOM 281 CE LYS A 40 -10.260 -5.233 -28.135 1.00 0.00 C ATOM 282 NZ LYS A 40 -10.020 -6.683 -28.319 1.00 0.00 N ATOM 0 H LYS A 40 -7.093 -5.295 -24.343 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.398 -4.001 -23.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.997 -3.670 -25.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.363 -3.152 -25.204 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.378 -4.952 -26.363 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.787 -5.978 -26.186 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.119 -3.440 -27.773 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.196 -4.734 -28.511 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.003 -5.078 -27.353 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.668 -4.807 -29.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.502 -7.008 -29.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.998 -6.857 -28.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.391 -7.203 -27.498 1.00 0.00 H new ATOM 283 N LYS A 41 -11.372 -5.485 -24.013 1.00 0.00 N ATOM 284 CA LYS A 41 -12.460 -6.449 -23.997 1.00 0.00 C ATOM 285 C LYS A 41 -12.275 -7.438 -25.150 1.00 0.00 C ATOM 286 O LYS A 41 -11.329 -7.322 -25.926 1.00 0.00 O ATOM 287 CB LYS A 41 -13.812 -5.732 -24.013 1.00 0.00 C ATOM 288 CG LYS A 41 -14.754 -6.313 -22.958 1.00 0.00 C ATOM 289 CD LYS A 41 -16.005 -5.447 -22.803 1.00 0.00 C ATOM 290 CE LYS A 41 -16.973 -6.060 -21.790 1.00 0.00 C ATOM 291 NZ LYS A 41 -18.065 -5.110 -21.476 1.00 0.00 N ATOM 0 H LYS A 41 -11.665 -4.513 -24.113 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.443 -7.027 -23.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.665 -4.668 -23.828 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.265 -5.824 -25.000 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.041 -7.326 -23.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.236 -6.384 -22.002 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.721 -4.446 -22.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.501 -5.342 -23.768 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.391 -6.984 -22.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.437 -6.321 -20.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.713 -5.542 -20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.663 -4.239 -21.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.587 -4.881 -22.346 1.00 0.00 H new ATOM 292 N ARG A 42 -13.195 -8.389 -25.225 1.00 0.00 N ATOM 293 CA ARG A 42 -13.187 -9.354 -26.310 1.00 0.00 C ATOM 294 C ARG A 42 -11.933 -10.228 -26.234 1.00 0.00 C ATOM 295 O ARG A 42 -11.273 -10.464 -27.245 1.00 0.00 O ATOM 296 CB ARG A 42 -13.231 -8.654 -27.671 1.00 0.00 C ATOM 297 CG ARG A 42 -14.487 -7.793 -27.803 1.00 0.00 C ATOM 298 CD ARG A 42 -15.708 -8.651 -28.141 1.00 0.00 C ATOM 299 NE ARG A 42 -15.568 -9.218 -29.501 1.00 0.00 N ATOM 300 CZ ARG A 42 -16.377 -10.156 -30.012 1.00 0.00 C ATOM 301 NH1 ARG A 42 -17.462 -10.549 -29.329 1.00 0.00 N ATOM 302 NH2 ARG A 42 -16.102 -10.702 -31.203 1.00 0.00 N ATOM 0 H ARG A 42 -13.951 -8.511 -24.551 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.075 -9.977 -26.206 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.345 -8.032 -27.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.210 -9.398 -28.468 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.663 -7.255 -26.871 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.338 -7.044 -28.581 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.811 -9.455 -27.412 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.614 -8.048 -28.081 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.807 -8.873 -30.086 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.671 -10.134 -28.421 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.078 -11.263 -29.717 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.276 -10.404 -31.722 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.718 -11.416 -31.591 1.00 0.00 H new ATOM 303 N THR A 43 -11.641 -10.684 -25.025 1.00 0.00 N ATOM 304 CA THR A 43 -10.650 -11.730 -24.839 1.00 0.00 C ATOM 305 C THR A 43 -11.061 -12.656 -23.692 1.00 0.00 C ATOM 306 O THR A 43 -11.711 -12.223 -22.742 1.00 0.00 O ATOM 307 CB THR A 43 -9.291 -11.061 -24.622 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.359 -12.136 -24.697 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.124 -10.520 -23.201 1.00 0.00 C ATOM 0 H THR A 43 -12.073 -10.348 -24.164 1.00 0.00 H new ATOM 0 HA THR A 43 -10.578 -12.367 -25.720 1.00 0.00 H new ATOM 0 HB THR A 43 -9.170 -10.246 -25.336 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.451 -11.791 -24.569 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.143 -10.056 -23.101 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.898 -9.779 -23.000 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.212 -11.339 -22.487 1.00 0.00 H new ATOM 310 N ILE A 44 -10.663 -13.914 -23.818 1.00 0.00 N ATOM 311 CA ILE A 44 -11.175 -14.951 -22.940 1.00 0.00 C ATOM 312 C ILE A 44 -10.339 -14.989 -21.659 1.00 0.00 C ATOM 313 O ILE A 44 -9.114 -15.089 -21.716 1.00 0.00 O ATOM 314 CB ILE A 44 -11.236 -16.292 -23.674 1.00 0.00 C ATOM 315 CG1 ILE A 44 -11.883 -16.136 -25.051 1.00 0.00 C ATOM 316 CG2 ILE A 44 -11.943 -17.352 -22.825 1.00 0.00 C ATOM 317 CD1 ILE A 44 -13.279 -15.518 -24.933 1.00 0.00 C ATOM 0 H ILE A 44 -9.992 -14.238 -24.515 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.200 -14.728 -22.645 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.215 -16.638 -23.836 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.255 -15.508 -25.683 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.952 -17.109 -25.537 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.972 -18.295 -23.371 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.400 -17.491 -21.890 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.960 -17.026 -22.609 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.718 -15.418 -25.926 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.911 -16.161 -24.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.204 -14.535 -24.469 1.00 0.00 H new ATOM 318 N CYS A 45 -11.033 -14.906 -20.535 1.00 0.00 N ATOM 319 CA CYS A 45 -10.376 -14.991 -19.242 1.00 0.00 C ATOM 320 C CYS A 45 -10.537 -16.418 -18.712 1.00 0.00 C ATOM 321 O CYS A 45 -9.724 -16.885 -17.916 1.00 0.00 O ATOM 322 CB CYS A 45 -10.923 -13.953 -18.260 1.00 0.00 C ATOM 323 SG CYS A 45 -12.440 -14.461 -17.372 1.00 0.00 S ATOM 0 H CYS A 45 -12.044 -14.781 -20.492 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.316 -14.765 -19.356 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.149 -13.724 -17.527 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.129 -13.032 -18.805 1.00 0.00 H new ATOM 324 N ARG A 46 -11.593 -17.070 -19.176 1.00 0.00 N ATOM 325 CA ARG A 46 -11.858 -18.443 -18.780 1.00 0.00 C ATOM 326 C ARG A 46 -12.743 -19.135 -19.819 1.00 0.00 C ATOM 327 O ARG A 46 -13.582 -18.493 -20.449 1.00 0.00 O ATOM 328 CB ARG A 46 -12.547 -18.500 -17.414 1.00 0.00 C ATOM 329 CG ARG A 46 -12.119 -19.745 -16.635 1.00 0.00 C ATOM 330 CD ARG A 46 -10.778 -19.521 -15.935 1.00 0.00 C ATOM 331 NE ARG A 46 -10.320 -20.777 -15.304 1.00 0.00 N ATOM 332 CZ ARG A 46 -9.588 -21.710 -15.929 1.00 0.00 C ATOM 333 NH1 ARG A 46 -9.386 -21.628 -17.251 1.00 0.00 N ATOM 334 NH2 ARG A 46 -9.056 -22.723 -15.231 1.00 0.00 N ATOM 0 H ARG A 46 -12.275 -16.673 -19.822 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.900 -18.959 -18.713 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.301 -17.606 -16.841 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.629 -18.505 -17.548 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.881 -19.996 -15.897 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.041 -20.594 -17.314 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.036 -19.175 -16.655 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.878 -18.741 -15.180 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.577 -20.944 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.789 -20.856 -17.782 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.829 -22.338 -17.727 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.208 -22.784 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.499 -23.433 -15.707 1.00 0.00 H new ATOM 335 N ILE A 47 -12.525 -20.433 -19.965 1.00 0.00 N ATOM 336 CA ILE A 47 -13.330 -21.229 -20.876 1.00 0.00 C ATOM 337 C ILE A 47 -14.490 -21.862 -20.105 1.00 0.00 C ATOM 338 O ILE A 47 -14.433 -21.987 -18.883 1.00 0.00 O ATOM 339 CB ILE A 47 -12.457 -22.243 -21.616 1.00 0.00 C ATOM 340 CG1 ILE A 47 -11.137 -21.610 -22.061 1.00 0.00 C ATOM 341 CG2 ILE A 47 -13.216 -22.870 -22.787 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.340 -20.734 -23.299 1.00 0.00 C ATOM 0 H ILE A 47 -11.803 -20.954 -19.468 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.768 -20.597 -21.649 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.210 -23.049 -20.925 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.725 -21.010 -21.250 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.410 -22.392 -22.279 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.572 -23.587 -23.296 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.104 -23.381 -22.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.514 -22.090 -23.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.387 -20.296 -23.595 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.729 -21.343 -24.116 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.049 -19.939 -23.070 1.00 0.00 H new ATOM 343 N ALA A 48 -15.515 -22.245 -20.852 1.00 0.00 N ATOM 344 CA ALA A 48 -16.657 -22.926 -20.262 1.00 0.00 C ATOM 345 C ALA A 48 -16.426 -24.438 -20.314 1.00 0.00 C ATOM 346 O ALA A 48 -16.020 -24.972 -21.346 1.00 0.00 O ATOM 347 CB ALA A 48 -17.934 -22.506 -20.992 1.00 0.00 C ATOM 0 H ALA A 48 -15.579 -22.097 -21.859 1.00 0.00 H new ATOM 0 HA ALA A 48 -16.773 -22.646 -19.215 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.790 -23.016 -20.550 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.067 -21.428 -20.901 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.856 -22.774 -22.046 1.00 0.00 H new ATOM 348 N ARG A 49 -16.693 -25.083 -19.189 1.00 0.00 N ATOM 349 CA ARG A 49 -16.487 -26.518 -19.083 1.00 0.00 C ATOM 350 C ARG A 49 -17.680 -27.271 -19.677 1.00 0.00 C ATOM 351 O ARG A 49 -17.579 -28.457 -19.985 1.00 0.00 O ATOM 352 CB ARG A 49 -16.302 -26.942 -17.625 1.00 0.00 C ATOM 353 CG ARG A 49 -17.637 -26.938 -16.878 1.00 0.00 C ATOM 354 CD ARG A 49 -17.434 -27.229 -15.389 1.00 0.00 C ATOM 355 NE ARG A 49 -18.743 -27.436 -14.731 1.00 0.00 N ATOM 356 CZ ARG A 49 -18.890 -27.899 -13.483 1.00 0.00 C ATOM 357 NH1 ARG A 49 -17.813 -28.099 -12.711 1.00 0.00 N ATOM 358 NH2 ARG A 49 -20.115 -28.163 -13.006 1.00 0.00 N ATOM 0 H ARG A 49 -17.050 -24.639 -18.343 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.583 -26.765 -19.639 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.862 -27.939 -17.586 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.604 -26.266 -17.132 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.123 -25.970 -17.000 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.302 -27.685 -17.311 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.811 -28.115 -15.265 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.907 -26.400 -14.916 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.585 -27.212 -15.261 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.881 -27.899 -13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.925 -28.452 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -20.935 -28.011 -13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.227 -28.516 -12.055 1.00 0.00 H new ATOM 359 N GLY A 50 -18.783 -26.550 -19.820 1.00 0.00 N ATOM 360 CA GLY A 50 -19.996 -27.138 -20.361 1.00 0.00 C ATOM 361 C GLY A 50 -20.475 -26.370 -21.595 1.00 0.00 C ATOM 362 O GLY A 50 -19.664 -25.899 -22.390 1.00 0.00 O ATOM 0 H GLY A 50 -18.861 -25.564 -19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.813 -28.180 -20.625 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -20.777 -27.134 -19.600 1.00 0.00 H new ATOM 363 N ASP A 51 -21.791 -26.268 -21.715 1.00 0.00 N ATOM 364 CA ASP A 51 -22.388 -25.577 -22.845 1.00 0.00 C ATOM 365 C ASP A 51 -22.743 -24.147 -22.433 1.00 0.00 C ATOM 366 O ASP A 51 -23.798 -23.634 -22.803 1.00 0.00 O ATOM 367 CB ASP A 51 -23.673 -26.271 -23.299 1.00 0.00 C ATOM 368 CG ASP A 51 -24.246 -25.768 -24.625 1.00 0.00 C ATOM 369 OD1 ASP A 51 -23.512 -25.578 -25.607 1.00 0.00 O ATOM 370 OD2 ASP A 51 -25.520 -25.567 -24.628 1.00 0.00 O ATOM 0 H ASP A 51 -22.460 -26.652 -21.048 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.667 -25.583 -23.663 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -23.479 -27.340 -23.387 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -24.429 -26.147 -22.523 1.00 0.00 H new ATOM 371 N PHE A 52 -21.841 -23.543 -21.672 1.00 0.00 N ATOM 372 CA PHE A 52 -22.041 -22.179 -21.215 1.00 0.00 C ATOM 373 C PHE A 52 -21.168 -21.202 -22.005 1.00 0.00 C ATOM 374 O PHE A 52 -20.174 -21.602 -22.610 1.00 0.00 O ATOM 375 CB PHE A 52 -21.628 -22.136 -19.742 1.00 0.00 C ATOM 376 CG PHE A 52 -22.010 -23.390 -18.952 1.00 0.00 C ATOM 377 CD1 PHE A 52 -23.308 -23.795 -18.906 1.00 0.00 C ATOM 378 CD2 PHE A 52 -21.054 -24.098 -18.295 1.00 0.00 C ATOM 379 CE1 PHE A 52 -23.664 -24.958 -18.173 1.00 0.00 C ATOM 380 CE2 PHE A 52 -21.408 -25.261 -17.561 1.00 0.00 C ATOM 381 CZ PHE A 52 -22.706 -25.666 -17.516 1.00 0.00 C ATOM 0 H PHE A 52 -20.970 -23.974 -21.361 1.00 0.00 H new ATOM 0 HA PHE A 52 -23.082 -21.889 -21.355 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -20.549 -21.996 -19.682 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -22.089 -21.268 -19.271 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -24.068 -23.232 -19.427 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -20.024 -23.776 -18.331 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -24.694 -25.280 -18.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -20.648 -25.823 -17.039 1.00 0.00 H new ATOM 0 HZ PHE A 52 -22.976 -26.550 -16.958 1.00 0.00 H new ATOM 382 N PRO A 53 -21.581 -19.906 -21.974 1.00 0.00 N ATOM 383 CA PRO A 53 -20.823 -18.863 -22.643 1.00 0.00 C ATOM 384 C PRO A 53 -19.557 -18.515 -21.856 1.00 0.00 C ATOM 385 O PRO A 53 -19.637 -18.054 -20.719 1.00 0.00 O ATOM 386 CB PRO A 53 -21.786 -17.694 -22.765 1.00 0.00 C ATOM 387 CG PRO A 53 -22.891 -17.957 -21.754 1.00 0.00 C ATOM 388 CD PRO A 53 -22.776 -19.404 -21.304 1.00 0.00 C ATOM 0 HA PRO A 53 -20.462 -19.169 -23.625 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -21.283 -16.750 -22.557 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -22.189 -17.624 -23.775 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -22.797 -17.284 -20.902 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -23.868 -17.772 -22.200 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -22.682 -19.476 -20.220 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -23.659 -19.978 -21.586 1.00 0.00 H new ATOM 389 N ASP A 54 -18.419 -18.749 -22.494 1.00 0.00 N ATOM 390 CA ASP A 54 -17.143 -18.388 -21.902 1.00 0.00 C ATOM 391 C ASP A 54 -17.178 -16.918 -21.478 1.00 0.00 C ATOM 392 O ASP A 54 -17.897 -16.116 -22.071 1.00 0.00 O ATOM 393 CB ASP A 54 -16.001 -18.564 -22.905 1.00 0.00 C ATOM 394 CG ASP A 54 -16.257 -17.960 -24.287 1.00 0.00 C ATOM 395 OD1 ASP A 54 -16.339 -16.732 -24.442 1.00 0.00 O ATOM 396 OD2 ASP A 54 -16.376 -18.817 -25.244 1.00 0.00 O ATOM 0 H ASP A 54 -18.355 -19.184 -23.414 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.974 -19.039 -21.044 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.100 -18.114 -22.489 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.801 -19.629 -23.022 1.00 0.00 H new ATOM 397 N ASP A 55 -16.393 -16.611 -20.456 1.00 0.00 N ATOM 398 CA ASP A 55 -16.400 -15.276 -19.883 1.00 0.00 C ATOM 399 C ASP A 55 -15.317 -14.430 -20.556 1.00 0.00 C ATOM 400 O ASP A 55 -14.193 -14.891 -20.744 1.00 0.00 O ATOM 401 CB ASP A 55 -16.101 -15.319 -18.383 1.00 0.00 C ATOM 402 CG ASP A 55 -15.842 -13.958 -17.736 1.00 0.00 C ATOM 403 OD1 ASP A 55 -16.262 -12.913 -18.255 1.00 0.00 O ATOM 404 OD2 ASP A 55 -15.169 -13.997 -16.636 1.00 0.00 O ATOM 0 H ASP A 55 -15.748 -17.264 -20.010 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.389 -14.847 -20.042 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.941 -15.792 -17.874 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.230 -15.954 -18.220 1.00 0.00 H new ATOM 405 N ARG A 56 -15.694 -13.208 -20.901 1.00 0.00 N ATOM 406 CA ARG A 56 -14.775 -12.299 -21.563 1.00 0.00 C ATOM 407 C ARG A 56 -14.196 -11.303 -20.554 1.00 0.00 C ATOM 408 O ARG A 56 -14.763 -11.101 -19.482 1.00 0.00 O ATOM 409 CB ARG A 56 -15.472 -11.530 -22.686 1.00 0.00 C ATOM 410 CG ARG A 56 -15.343 -12.270 -24.019 1.00 0.00 C ATOM 411 CD ARG A 56 -16.328 -13.439 -24.094 1.00 0.00 C ATOM 412 NE ARG A 56 -17.712 -12.929 -24.207 1.00 0.00 N ATOM 413 CZ ARG A 56 -18.795 -13.711 -24.321 1.00 0.00 C ATOM 414 NH1 ARG A 56 -18.656 -15.041 -24.387 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.016 -13.161 -24.370 1.00 0.00 N ATOM 0 H ARG A 56 -16.625 -12.826 -20.734 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.971 -12.896 -21.993 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.526 -11.396 -22.441 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.037 -10.535 -22.775 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.529 -11.580 -24.842 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.324 -12.640 -24.137 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.093 -14.069 -24.952 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.233 -14.063 -23.205 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.851 -11.919 -24.198 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.726 -15.459 -24.351 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.480 -15.636 -24.474 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.121 -12.148 -24.321 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.840 -13.756 -24.457 1.00 0.00 H new ATOM 416 N CYS A 57 -13.075 -10.708 -20.936 1.00 0.00 N ATOM 417 CA CYS A 57 -12.409 -9.747 -20.074 1.00 0.00 C ATOM 418 C CYS A 57 -13.206 -8.442 -20.102 1.00 0.00 C ATOM 419 O CYS A 57 -14.226 -8.348 -20.783 1.00 0.00 O ATOM 420 CB CYS A 57 -10.951 -9.533 -20.486 1.00 0.00 C ATOM 421 SG CYS A 57 -9.779 -10.782 -19.839 1.00 0.00 S ATOM 0 H CYS A 57 -12.612 -10.873 -21.830 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.378 -10.131 -19.054 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.892 -9.530 -21.574 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.633 -8.547 -20.147 1.00 0.00 H new ATOM 422 N THR A 58 -12.712 -7.467 -19.353 1.00 0.00 N ATOM 423 CA THR A 58 -13.365 -6.171 -19.284 1.00 0.00 C ATOM 424 C THR A 58 -12.456 -5.084 -19.860 1.00 0.00 C ATOM 425 O THR A 58 -12.836 -4.384 -20.796 1.00 0.00 O ATOM 426 CB THR A 58 -13.765 -5.920 -17.828 1.00 0.00 C ATOM 427 OG1 THR A 58 -12.545 -6.054 -17.104 1.00 0.00 O ATOM 428 CG2 THR A 58 -14.656 -7.030 -17.266 1.00 0.00 C ATOM 0 H THR A 58 -11.867 -7.549 -18.788 1.00 0.00 H new ATOM 0 HA THR A 58 -14.269 -6.151 -19.893 1.00 0.00 H new ATOM 0 HB THR A 58 -14.285 -4.965 -17.754 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.713 -5.905 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.911 -6.803 -16.231 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.569 -7.098 -17.858 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.124 -7.980 -17.309 1.00 0.00 H new ATOM 429 N GLY A 59 -11.270 -4.979 -19.276 1.00 0.00 N ATOM 430 CA GLY A 59 -10.320 -3.961 -19.693 1.00 0.00 C ATOM 431 C GLY A 59 -10.047 -2.970 -18.560 1.00 0.00 C ATOM 432 O GLY A 59 -9.194 -2.093 -18.690 1.00 0.00 O ATOM 0 H GLY A 59 -10.946 -5.581 -18.519 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.387 -4.433 -20.001 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.709 -3.429 -20.561 1.00 0.00 H new ATOM 433 N LEU A 60 -10.787 -3.141 -17.475 1.00 0.00 N ATOM 434 CA LEU A 60 -10.615 -2.291 -16.309 1.00 0.00 C ATOM 435 C LEU A 60 -10.373 -3.165 -15.077 1.00 0.00 C ATOM 436 O LEU A 60 -10.517 -2.703 -13.946 1.00 0.00 O ATOM 437 CB LEU A 60 -11.801 -1.335 -16.163 1.00 0.00 C ATOM 438 CG LEU A 60 -13.177 -1.991 -16.027 1.00 0.00 C ATOM 439 CD1 LEU A 60 -13.985 -1.342 -14.903 1.00 0.00 C ATOM 440 CD2 LEU A 60 -13.928 -1.968 -17.361 1.00 0.00 C ATOM 0 H LEU A 60 -11.508 -3.856 -17.378 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.737 -1.656 -16.426 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.631 -0.708 -15.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.819 -0.675 -17.030 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.033 -3.037 -15.756 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.958 -1.827 -14.828 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.450 -1.453 -13.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.123 -0.283 -15.119 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.903 -2.440 -17.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.063 -0.936 -17.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.354 -2.512 -18.111 1.00 0.00 H new ATOM 441 N SER A 61 -10.010 -4.413 -15.338 1.00 0.00 N ATOM 442 CA SER A 61 -9.741 -5.353 -14.263 1.00 0.00 C ATOM 443 C SER A 61 -8.797 -6.452 -14.755 1.00 0.00 C ATOM 444 O SER A 61 -8.748 -6.747 -15.948 1.00 0.00 O ATOM 445 CB SER A 61 -11.038 -5.967 -13.732 1.00 0.00 C ATOM 446 OG SER A 61 -12.110 -5.028 -13.726 1.00 0.00 O ATOM 0 H SER A 61 -9.896 -4.794 -16.277 1.00 0.00 H new ATOM 0 HA SER A 61 -9.265 -4.812 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.311 -6.825 -14.346 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.876 -6.338 -12.720 1.00 0.00 H new ATOM 0 HG SER A 61 -12.920 -5.459 -13.382 1.00 0.00 H new ATOM 447 N ASN A 62 -8.069 -7.029 -13.810 1.00 0.00 N ATOM 448 CA ASN A 62 -7.151 -8.109 -14.127 1.00 0.00 C ATOM 449 C ASN A 62 -7.760 -9.439 -13.675 1.00 0.00 C ATOM 450 O ASN A 62 -7.248 -10.506 -14.012 1.00 0.00 O ATOM 451 CB ASN A 62 -5.816 -7.930 -13.401 1.00 0.00 C ATOM 452 CG ASN A 62 -5.710 -6.532 -12.788 1.00 0.00 C ATOM 453 OD1 ASN A 62 -6.402 -6.185 -11.845 1.00 0.00 O ATOM 454 ND2 ASN A 62 -4.807 -5.751 -13.375 1.00 0.00 N ATOM 0 H ASN A 62 -8.097 -6.768 -12.824 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.980 -8.100 -15.203 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.719 -8.683 -12.619 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.994 -8.089 -14.099 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.661 -4.799 -13.039 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.261 -6.104 -14.161 1.00 0.00 H new ATOM 455 N ASP A 63 -8.842 -9.331 -12.920 1.00 0.00 N ATOM 456 CA ASP A 63 -9.479 -10.507 -12.352 1.00 0.00 C ATOM 457 C ASP A 63 -10.356 -11.171 -13.415 1.00 0.00 C ATOM 458 O ASP A 63 -10.494 -10.654 -14.523 1.00 0.00 O ATOM 459 CB ASP A 63 -10.372 -10.133 -11.168 1.00 0.00 C ATOM 460 CG ASP A 63 -9.891 -8.934 -10.349 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.837 -7.800 -10.847 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.557 -9.204 -9.132 1.00 0.00 O ATOM 0 H ASP A 63 -9.295 -8.447 -12.688 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.695 -11.183 -12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.374 -9.921 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.454 -10.996 -10.507 1.00 0.00 H new ATOM 463 N CYS A 64 -10.927 -12.306 -13.041 1.00 0.00 N ATOM 464 CA CYS A 64 -11.761 -13.063 -13.959 1.00 0.00 C ATOM 465 C CYS A 64 -12.982 -13.571 -13.191 1.00 0.00 C ATOM 466 O CYS A 64 -12.989 -14.701 -12.705 1.00 0.00 O ATOM 467 CB CYS A 64 -10.986 -14.206 -14.618 1.00 0.00 C ATOM 468 SG CYS A 64 -11.993 -15.303 -15.681 1.00 0.00 S ATOM 0 H CYS A 64 -10.829 -12.720 -12.114 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.088 -12.417 -14.774 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.181 -13.782 -15.218 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.520 -14.807 -13.838 1.00 0.00 H new ATOM 469 N PRO A 65 -14.013 -12.688 -13.103 1.00 0.00 N ATOM 470 CA PRO A 65 -15.225 -13.023 -12.374 1.00 0.00 C ATOM 471 C PRO A 65 -16.089 -14.006 -13.168 1.00 0.00 C ATOM 472 O PRO A 65 -15.765 -14.341 -14.307 1.00 0.00 O ATOM 473 CB PRO A 65 -15.916 -11.692 -12.125 1.00 0.00 C ATOM 474 CG PRO A 65 -15.310 -10.716 -13.120 1.00 0.00 C ATOM 475 CD PRO A 65 -14.053 -11.353 -13.691 1.00 0.00 C ATOM 0 HA PRO A 65 -15.021 -13.533 -11.432 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.993 -11.778 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.757 -11.355 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.020 -10.492 -13.916 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.071 -9.771 -12.631 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.093 -11.401 -14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.164 -10.779 -13.430 1.00 0.00 H new ATOM 476 N ARG A 66 -17.169 -14.439 -12.536 1.00 0.00 N ATOM 477 CA ARG A 66 -18.114 -15.328 -13.191 1.00 0.00 C ATOM 478 C ARG A 66 -18.970 -14.547 -14.190 1.00 0.00 C ATOM 479 O ARG A 66 -19.163 -13.341 -14.040 1.00 0.00 O ATOM 480 CB ARG A 66 -19.027 -16.010 -12.171 1.00 0.00 C ATOM 481 CG ARG A 66 -18.219 -16.561 -10.995 1.00 0.00 C ATOM 482 CD ARG A 66 -18.950 -17.728 -10.327 1.00 0.00 C ATOM 483 NE ARG A 66 -18.532 -17.843 -8.911 1.00 0.00 N ATOM 484 CZ ARG A 66 -19.166 -18.592 -7.999 1.00 0.00 C ATOM 485 NH1 ARG A 66 -20.184 -19.381 -8.371 1.00 0.00 N ATOM 486 NH2 ARG A 66 -18.785 -18.551 -6.716 1.00 0.00 N ATOM 0 H ARG A 66 -17.411 -14.191 -11.577 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.542 -16.093 -13.716 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.767 -15.298 -11.806 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.575 -16.820 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.241 -16.892 -11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.046 -15.770 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.028 -17.574 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.731 -18.656 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.710 -17.319 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.475 -19.411 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.667 -19.951 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.012 -17.949 -6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.268 -19.121 -6.022 1.00 0.00 H new ATOM 487 N TRP A 67 -19.463 -15.266 -15.189 1.00 0.00 N ATOM 488 CA TRP A 67 -20.379 -14.681 -16.152 1.00 0.00 C ATOM 489 C TRP A 67 -21.783 -14.709 -15.546 1.00 0.00 C ATOM 490 O TRP A 67 -22.467 -15.731 -15.603 1.00 0.00 O ATOM 491 CB TRP A 67 -20.294 -15.403 -17.498 1.00 0.00 C ATOM 492 CG TRP A 67 -20.395 -14.474 -18.710 1.00 0.00 C ATOM 493 CD1 TRP A 67 -19.444 -13.678 -19.222 1.00 0.00 C ATOM 494 CD2 TRP A 67 -21.554 -14.274 -19.547 1.00 0.00 C ATOM 495 NE1 TRP A 67 -19.904 -12.985 -20.322 1.00 0.00 N ATOM 496 CE2 TRP A 67 -21.228 -13.358 -20.525 1.00 0.00 C ATOM 497 CE3 TRP A 67 -22.835 -14.848 -19.477 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -22.129 -12.935 -21.510 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -23.724 -14.415 -20.469 1.00 0.00 C ATOM 500 CH2 TRP A 67 -23.412 -13.495 -21.461 1.00 0.00 C ATOM 0 H TRP A 67 -19.244 -16.249 -15.351 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.110 -13.645 -16.360 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.351 -15.947 -17.548 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.092 -16.143 -17.553 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -18.444 -13.591 -18.823 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -19.371 -12.321 -20.883 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.112 -15.566 -18.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -21.850 -12.216 -22.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -24.723 -14.826 -20.462 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -24.155 -13.212 -22.192 1.00 0.00 H new