USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 22 GLN : amide:sc= 0.855 K(o=2.2,f=-2.6) USER MOD Set 1.2: A 62 SER OG : rot -71:sc= 1.33 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -153:sc= 0.00818 (180deg=0) USER MOD Set 2.2: A 43 MET CE :methyl 172:sc=-0.00625 (180deg=-0.122) USER MOD Set 3.1: A 13 TYR OH : rot -31:sc= 0.399 USER MOD Set 3.2: A 34 THR OG1 : rot 67:sc= 1.69 USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0.406 (180deg=0.321) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.187 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0.313 (180deg=0.254) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0517) USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 0.2 (180deg=-1.15) USER MOD Single : A 21 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.9!) USER MOD Single : A 24 SER OG : rot 80:sc= 1.05 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.173 F(o=-0.89,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= -0.143 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0961 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.873 (180deg=0.483) USER MOD Single : A 67 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.66) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.027) USER MOD Single : A 74 SER OG : rot 56:sc= 0.824 USER MOD Single : A 75 GLN : amide:sc= -0.92 X(o=-0.92,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.499 2.483 -0.756 1.00 0.00 N ATOM 2 CA LYS A 1 3.803 1.888 -1.098 1.00 0.00 C ATOM 3 C LYS A 1 3.620 0.683 -2.021 1.00 0.00 C ATOM 4 O LYS A 1 4.125 0.674 -3.141 1.00 0.00 O ATOM 5 CB LYS A 1 4.589 1.519 0.172 1.00 0.00 C ATOM 6 CG LYS A 1 5.990 0.985 -0.161 1.00 0.00 C ATOM 7 CD LYS A 1 6.761 0.666 1.125 1.00 0.00 C ATOM 8 CE LYS A 1 8.140 0.091 0.784 1.00 0.00 C ATOM 9 NZ LYS A 1 8.903 -0.232 2.003 1.00 0.00 N ATOM 0 H1 LYS A 1 2.648 3.349 -0.199 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.985 2.717 -1.629 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.943 1.804 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 1 4.390 2.631 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.677 2.396 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.037 0.766 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.908 0.088 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.538 1.723 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.873 1.569 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.199 -0.048 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.022 -0.807 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.697 0.810 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.832 -0.619 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.036 0.631 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.381 -0.936 2.563 1.00 0.00 H new ATOM 25 N SER A 2 2.907 -0.340 -1.544 1.00 0.00 N ATOM 26 CA SER A 2 2.736 -1.604 -2.236 1.00 0.00 C ATOM 27 C SER A 2 2.257 -1.420 -3.681 1.00 0.00 C ATOM 28 O SER A 2 2.933 -1.911 -4.580 1.00 0.00 O ATOM 29 CB SER A 2 1.848 -2.544 -1.405 1.00 0.00 C ATOM 30 OG SER A 2 1.396 -1.882 -0.232 1.00 0.00 O ATOM 0 H SER A 2 2.425 -0.304 -0.646 1.00 0.00 H new ATOM 0 HA SER A 2 3.711 -2.083 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.994 -2.870 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.408 -3.439 -1.134 1.00 0.00 H new ATOM 0 HG SER A 2 0.830 -2.489 0.289 1.00 0.00 H new ATOM 36 N PRO A 3 1.141 -0.718 -3.946 1.00 0.00 N ATOM 37 CA PRO A 3 0.687 -0.452 -5.305 1.00 0.00 C ATOM 38 C PRO A 3 1.812 0.069 -6.204 1.00 0.00 C ATOM 39 O PRO A 3 2.037 -0.462 -7.290 1.00 0.00 O ATOM 40 CB PRO A 3 -0.463 0.552 -5.169 1.00 0.00 C ATOM 41 CG PRO A 3 -1.028 0.230 -3.787 1.00 0.00 C ATOM 42 CD PRO A 3 0.220 -0.131 -2.983 1.00 0.00 C ATOM 0 HA PRO A 3 0.354 -1.367 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.111 1.582 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.210 0.421 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.553 1.083 -3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.738 -0.596 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.653 0.751 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.016 -0.835 -2.185 1.00 0.00 H new ATOM 50 N GLU A 4 2.533 1.095 -5.743 1.00 0.00 N ATOM 51 CA GLU A 4 3.620 1.703 -6.493 1.00 0.00 C ATOM 52 C GLU A 4 4.751 0.702 -6.726 1.00 0.00 C ATOM 53 O GLU A 4 5.288 0.610 -7.827 1.00 0.00 O ATOM 54 CB GLU A 4 4.147 2.957 -5.774 1.00 0.00 C ATOM 55 CG GLU A 4 3.045 3.957 -5.389 1.00 0.00 C ATOM 56 CD GLU A 4 2.584 3.787 -3.943 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.855 2.805 -3.681 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.987 4.630 -3.113 1.00 0.00 O ATOM 0 H GLU A 4 2.373 1.525 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 4 3.228 2.005 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.679 2.652 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.871 3.457 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.413 4.973 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.193 3.829 -6.057 1.00 0.00 H new ATOM 65 N GLU A 5 5.122 -0.046 -5.686 1.00 0.00 N ATOM 66 CA GLU A 5 6.156 -1.064 -5.780 1.00 0.00 C ATOM 67 C GLU A 5 5.771 -2.083 -6.856 1.00 0.00 C ATOM 68 O GLU A 5 6.552 -2.378 -7.760 1.00 0.00 O ATOM 69 CB GLU A 5 6.338 -1.709 -4.399 1.00 0.00 C ATOM 70 CG GLU A 5 7.534 -2.666 -4.352 1.00 0.00 C ATOM 71 CD GLU A 5 7.690 -3.270 -2.960 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.015 -2.489 -2.038 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.464 -4.493 -2.840 1.00 0.00 O ATOM 0 H GLU A 5 4.711 0.041 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 5 7.110 -0.628 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.472 -0.927 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.431 -2.252 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.398 -3.461 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.444 -2.132 -4.626 1.00 0.00 H new ATOM 80 N LEU A 6 4.546 -2.605 -6.764 1.00 0.00 N ATOM 81 CA LEU A 6 4.037 -3.614 -7.678 1.00 0.00 C ATOM 82 C LEU A 6 3.987 -3.049 -9.094 1.00 0.00 C ATOM 83 O LEU A 6 4.373 -3.739 -10.030 1.00 0.00 O ATOM 84 CB LEU A 6 2.664 -4.123 -7.226 1.00 0.00 C ATOM 85 CG LEU A 6 2.706 -4.802 -5.847 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.300 -4.811 -5.243 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.222 -6.239 -5.947 1.00 0.00 C ATOM 0 H LEU A 6 3.878 -2.332 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 6 4.713 -4.469 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.964 -3.288 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.283 -4.830 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 6 3.388 -4.238 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.327 -5.292 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.944 -3.786 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.626 -5.361 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.239 -6.689 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.565 -6.817 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.230 -6.236 -6.361 1.00 0.00 H new ATOM 99 N LYS A 7 3.544 -1.799 -9.264 1.00 0.00 N ATOM 100 CA LYS A 7 3.627 -1.103 -10.534 1.00 0.00 C ATOM 101 C LYS A 7 5.065 -1.087 -11.050 1.00 0.00 C ATOM 102 O LYS A 7 5.296 -1.459 -12.192 1.00 0.00 O ATOM 103 CB LYS A 7 3.067 0.312 -10.383 1.00 0.00 C ATOM 104 CG LYS A 7 2.852 0.975 -11.747 1.00 0.00 C ATOM 105 CD LYS A 7 2.251 2.374 -11.572 1.00 0.00 C ATOM 106 CE LYS A 7 3.276 3.423 -11.118 1.00 0.00 C ATOM 107 NZ LYS A 7 4.329 3.646 -12.127 1.00 0.00 N ATOM 0 H LYS A 7 3.119 -1.248 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 7 3.026 -1.632 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.122 0.275 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.753 0.915 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.801 1.044 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.189 0.361 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.809 2.693 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.443 2.326 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.765 4.364 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.734 3.100 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.898 4.474 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.942 2.807 -12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.891 3.814 -13.055 1.00 0.00 H new ATOM 121 N GLY A 8 6.034 -0.671 -10.231 1.00 0.00 N ATOM 122 CA GLY A 8 7.435 -0.633 -10.625 1.00 0.00 C ATOM 123 C GLY A 8 7.907 -1.998 -11.132 1.00 0.00 C ATOM 124 O GLY A 8 8.396 -2.119 -12.257 1.00 0.00 O ATOM 0 H GLY A 8 5.864 -0.352 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.576 0.116 -11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.046 -0.327 -9.776 1.00 0.00 H new ATOM 128 N ILE A 9 7.738 -3.029 -10.298 1.00 0.00 N ATOM 129 CA ILE A 9 8.058 -4.413 -10.638 1.00 0.00 C ATOM 130 C ILE A 9 7.410 -4.767 -11.978 1.00 0.00 C ATOM 131 O ILE A 9 8.092 -5.140 -12.936 1.00 0.00 O ATOM 132 CB ILE A 9 7.560 -5.335 -9.499 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.369 -5.149 -8.202 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.587 -6.813 -9.883 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.785 -5.976 -7.049 1.00 0.00 C ATOM 0 H ILE A 9 7.369 -2.920 -9.353 1.00 0.00 H new ATOM 0 HA ILE A 9 9.135 -4.547 -10.742 1.00 0.00 H new ATOM 0 HB ILE A 9 6.527 -5.035 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.405 -5.443 -8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.378 -4.095 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.228 -7.413 -9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.945 -6.976 -10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.608 -7.107 -10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.382 -5.820 -6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.758 -5.664 -6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.800 -7.033 -7.315 1.00 0.00 H new ATOM 147 N PHE A 10 6.082 -4.647 -12.019 1.00 0.00 N ATOM 148 CA PHE A 10 5.259 -4.934 -13.176 1.00 0.00 C ATOM 149 C PHE A 10 5.863 -4.277 -14.414 1.00 0.00 C ATOM 150 O PHE A 10 6.136 -4.965 -15.387 1.00 0.00 O ATOM 151 CB PHE A 10 3.818 -4.476 -12.905 1.00 0.00 C ATOM 152 CG PHE A 10 2.931 -4.483 -14.127 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.983 -3.396 -15.016 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.203 -5.634 -14.476 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.448 -3.521 -16.302 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.535 -5.691 -15.707 1.00 0.00 C ATOM 157 CZ PHE A 10 1.695 -4.655 -16.634 1.00 0.00 C ATOM 0 H PHE A 10 5.539 -4.335 -11.214 1.00 0.00 H new ATOM 0 HA PHE A 10 5.229 -6.007 -13.366 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.379 -5.123 -12.146 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.840 -3.468 -12.490 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.435 -2.465 -14.707 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.159 -6.473 -13.797 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.615 -2.747 -17.036 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.899 -6.532 -15.939 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.236 -4.730 -17.609 1.00 0.00 H new ATOM 167 N GLU A 11 6.094 -2.963 -14.376 1.00 0.00 N ATOM 168 CA GLU A 11 6.605 -2.204 -15.504 1.00 0.00 C ATOM 169 C GLU A 11 7.940 -2.762 -15.980 1.00 0.00 C ATOM 170 O GLU A 11 8.136 -2.940 -17.180 1.00 0.00 O ATOM 171 CB GLU A 11 6.737 -0.719 -15.139 1.00 0.00 C ATOM 172 CG GLU A 11 5.375 -0.016 -15.073 1.00 0.00 C ATOM 173 CD GLU A 11 5.509 1.424 -14.589 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.022 1.605 -13.463 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.082 2.324 -15.344 1.00 0.00 O ATOM 0 H GLU A 11 5.927 -2.394 -13.546 1.00 0.00 H new ATOM 0 HA GLU A 11 5.892 -2.296 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.239 -0.626 -14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.366 -0.220 -15.876 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.911 -0.027 -16.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.713 -0.565 -14.403 1.00 0.00 H new ATOM 182 N LYS A 12 8.872 -3.018 -15.058 1.00 0.00 N ATOM 183 CA LYS A 12 10.183 -3.521 -15.441 1.00 0.00 C ATOM 184 C LYS A 12 10.060 -4.868 -16.154 1.00 0.00 C ATOM 185 O LYS A 12 10.635 -5.052 -17.227 1.00 0.00 O ATOM 186 CB LYS A 12 11.097 -3.611 -14.212 1.00 0.00 C ATOM 187 CG LYS A 12 11.439 -2.216 -13.673 1.00 0.00 C ATOM 188 CD LYS A 12 12.228 -2.339 -12.363 1.00 0.00 C ATOM 189 CE LYS A 12 12.488 -0.969 -11.726 1.00 0.00 C ATOM 190 NZ LYS A 12 13.315 -0.106 -12.588 1.00 0.00 N ATOM 0 H LYS A 12 8.741 -2.886 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 12 10.636 -2.822 -16.144 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.607 -4.195 -13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.015 -4.137 -14.475 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.025 -1.666 -14.410 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.524 -1.648 -13.504 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.676 -2.967 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.178 -2.837 -12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.537 -0.476 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.985 -1.105 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.537 0.777 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.198 -0.600 -12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.794 0.115 -13.460 1.00 0.00 H new ATOM 204 N TYR A 13 9.303 -5.801 -15.574 1.00 0.00 N ATOM 205 CA TYR A 13 9.017 -7.070 -16.233 1.00 0.00 C ATOM 206 C TYR A 13 8.354 -6.845 -17.600 1.00 0.00 C ATOM 207 O TYR A 13 8.874 -7.247 -18.635 1.00 0.00 O ATOM 208 CB TYR A 13 8.164 -7.930 -15.294 1.00 0.00 C ATOM 209 CG TYR A 13 8.981 -8.669 -14.256 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.724 -9.798 -14.642 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.891 -8.337 -12.894 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.430 -10.543 -13.688 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.625 -9.062 -11.943 1.00 0.00 C ATOM 214 CZ TYR A 13 10.402 -10.161 -12.337 1.00 0.00 C ATOM 215 OH TYR A 13 11.016 -10.917 -11.387 1.00 0.00 O ATOM 0 H TYR A 13 8.879 -5.699 -14.652 1.00 0.00 H new ATOM 0 HA TYR A 13 9.945 -7.604 -16.438 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.437 -7.294 -14.789 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.600 -8.652 -15.885 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.751 -10.093 -15.681 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.256 -7.522 -12.578 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.996 -11.411 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.591 -8.772 -10.903 1.00 0.00 H new ATOM 0 HH TYR A 13 10.993 -11.860 -11.654 1.00 0.00 H new ATOM 225 N ALA A 14 7.199 -6.187 -17.600 1.00 0.00 N ATOM 226 CA ALA A 14 6.375 -5.868 -18.757 1.00 0.00 C ATOM 227 C ALA A 14 7.200 -5.312 -19.916 1.00 0.00 C ATOM 228 O ALA A 14 7.144 -5.842 -21.027 1.00 0.00 O ATOM 229 CB ALA A 14 5.274 -4.915 -18.288 1.00 0.00 C ATOM 0 H ALA A 14 6.788 -5.840 -16.733 1.00 0.00 H new ATOM 0 HA ALA A 14 5.920 -6.772 -19.160 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.635 -4.654 -19.132 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.676 -5.401 -17.517 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.725 -4.010 -17.881 1.00 0.00 H new ATOM 235 N ALA A 15 8.021 -4.293 -19.644 1.00 0.00 N ATOM 236 CA ALA A 15 8.918 -3.695 -20.625 1.00 0.00 C ATOM 237 C ALA A 15 9.764 -4.741 -21.356 1.00 0.00 C ATOM 238 O ALA A 15 10.104 -4.547 -22.521 1.00 0.00 O ATOM 239 CB ALA A 15 9.819 -2.667 -19.937 1.00 0.00 C ATOM 0 H ALA A 15 8.078 -3.858 -18.723 1.00 0.00 H new ATOM 0 HA ALA A 15 8.304 -3.202 -21.379 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.489 -2.221 -20.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.204 -1.888 -19.486 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.407 -3.159 -19.162 1.00 0.00 H new ATOM 245 N LYS A 16 10.118 -5.837 -20.681 1.00 0.00 N ATOM 246 CA LYS A 16 10.944 -6.882 -21.255 1.00 0.00 C ATOM 247 C LYS A 16 10.189 -7.690 -22.318 1.00 0.00 C ATOM 248 O LYS A 16 10.823 -8.204 -23.237 1.00 0.00 O ATOM 249 CB LYS A 16 11.463 -7.803 -20.137 1.00 0.00 C ATOM 250 CG LYS A 16 12.891 -8.309 -20.377 1.00 0.00 C ATOM 251 CD LYS A 16 13.990 -7.230 -20.341 1.00 0.00 C ATOM 252 CE LYS A 16 13.994 -6.376 -19.063 1.00 0.00 C ATOM 253 NZ LYS A 16 13.081 -5.219 -19.150 1.00 0.00 N ATOM 0 H LYS A 16 9.835 -6.018 -19.718 1.00 0.00 H new ATOM 0 HA LYS A 16 11.789 -6.410 -21.756 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.431 -7.265 -19.189 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.794 -8.658 -20.041 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.122 -9.064 -19.625 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.924 -8.805 -21.347 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.961 -7.713 -20.444 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.867 -6.574 -21.203 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.707 -6.997 -18.215 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.007 -6.021 -18.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.608 -4.345 -18.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.675 -5.168 -20.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.316 -5.328 -18.454 1.00 0.00 H new ATOM 267 N GLU A 17 8.866 -7.860 -22.184 1.00 0.00 N ATOM 268 CA GLU A 17 8.115 -8.790 -23.013 1.00 0.00 C ATOM 269 C GLU A 17 6.619 -8.442 -23.031 1.00 0.00 C ATOM 270 O GLU A 17 5.795 -9.076 -22.364 1.00 0.00 O ATOM 271 CB GLU A 17 8.371 -10.213 -22.512 1.00 0.00 C ATOM 272 CG GLU A 17 7.914 -11.246 -23.540 1.00 0.00 C ATOM 273 CD GLU A 17 7.984 -12.657 -22.967 1.00 0.00 C ATOM 274 OE1 GLU A 17 7.194 -12.923 -22.036 1.00 0.00 O ATOM 275 OE2 GLU A 17 8.815 -13.444 -23.469 1.00 0.00 O ATOM 0 H GLU A 17 8.298 -7.358 -21.502 1.00 0.00 H new ATOM 0 HA GLU A 17 8.454 -8.715 -24.046 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.433 -10.344 -22.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.843 -10.372 -21.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.893 -11.027 -23.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.540 -11.180 -24.430 1.00 0.00 H new ATOM 282 N GLY A 18 6.273 -7.468 -23.872 1.00 0.00 N ATOM 283 CA GLY A 18 4.909 -7.065 -24.160 1.00 0.00 C ATOM 284 C GLY A 18 4.928 -5.572 -24.447 1.00 0.00 C ATOM 285 O GLY A 18 5.035 -5.161 -25.601 1.00 0.00 O ATOM 0 H GLY A 18 6.964 -6.922 -24.387 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.519 -7.616 -25.016 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.257 -7.285 -23.315 1.00 0.00 H new ATOM 289 N ASP A 19 4.887 -4.764 -23.391 1.00 0.00 N ATOM 290 CA ASP A 19 5.008 -3.312 -23.443 1.00 0.00 C ATOM 291 C ASP A 19 5.322 -2.889 -22.008 1.00 0.00 C ATOM 292 O ASP A 19 4.961 -3.638 -21.109 1.00 0.00 O ATOM 293 CB ASP A 19 3.665 -2.731 -23.926 1.00 0.00 C ATOM 294 CG ASP A 19 3.649 -1.211 -24.019 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.515 -0.574 -22.952 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.800 -0.705 -25.152 1.00 0.00 O ATOM 0 H ASP A 19 4.764 -5.116 -22.442 1.00 0.00 H new ATOM 0 HA ASP A 19 5.781 -2.959 -24.125 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.431 -3.148 -24.906 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.876 -3.052 -23.246 1.00 0.00 H new ATOM 301 N PRO A 20 5.940 -1.731 -21.725 1.00 0.00 N ATOM 302 CA PRO A 20 6.042 -1.231 -20.358 1.00 0.00 C ATOM 303 C PRO A 20 4.728 -1.309 -19.564 1.00 0.00 C ATOM 304 O PRO A 20 4.768 -1.463 -18.346 1.00 0.00 O ATOM 305 CB PRO A 20 6.591 0.199 -20.466 1.00 0.00 C ATOM 306 CG PRO A 20 6.469 0.552 -21.950 1.00 0.00 C ATOM 307 CD PRO A 20 6.583 -0.805 -22.641 1.00 0.00 C ATOM 0 HA PRO A 20 6.712 -1.866 -19.778 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.020 0.890 -19.846 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.627 0.252 -20.130 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.519 1.038 -22.172 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.258 1.234 -22.268 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.089 -0.799 -23.612 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.624 -1.076 -22.815 1.00 0.00 H new ATOM 315 N ASN A 21 3.564 -1.225 -20.220 1.00 0.00 N ATOM 316 CA ASN A 21 2.268 -1.335 -19.557 1.00 0.00 C ATOM 317 C ASN A 21 1.646 -2.742 -19.604 1.00 0.00 C ATOM 318 O ASN A 21 0.494 -2.867 -19.182 1.00 0.00 O ATOM 319 CB ASN A 21 1.297 -0.276 -20.108 1.00 0.00 C ATOM 320 CG ASN A 21 0.715 -0.594 -21.487 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.029 -1.603 -22.107 1.00 0.00 O ATOM 322 ND2 ASN A 21 -0.147 0.283 -21.991 1.00 0.00 N ATOM 0 H ASN A 21 3.499 -1.079 -21.227 1.00 0.00 H new ATOM 0 HA ASN A 21 2.453 -1.146 -18.500 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.476 -0.154 -19.402 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.817 0.681 -20.160 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.560 0.122 -22.910 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.396 1.117 -21.459 1.00 0.00 H new ATOM 329 N GLN A 22 2.346 -3.788 -20.085 1.00 0.00 N ATOM 330 CA GLN A 22 1.721 -5.080 -20.383 1.00 0.00 C ATOM 331 C GLN A 22 2.679 -6.300 -20.381 1.00 0.00 C ATOM 332 O GLN A 22 3.738 -6.246 -21.003 1.00 0.00 O ATOM 333 CB GLN A 22 0.978 -4.911 -21.709 1.00 0.00 C ATOM 334 CG GLN A 22 0.043 -6.077 -21.976 1.00 0.00 C ATOM 335 CD GLN A 22 -1.159 -5.643 -22.804 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.272 -5.548 -22.298 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.952 -5.382 -24.086 1.00 0.00 N ATOM 0 H GLN A 22 3.348 -3.757 -20.274 1.00 0.00 H new ATOM 0 HA GLN A 22 1.038 -5.332 -19.572 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.407 -3.982 -21.692 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.698 -4.827 -22.523 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.582 -6.866 -22.500 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.297 -6.497 -21.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.015 -5.470 -24.479 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.730 -5.093 -24.680 1.00 0.00 H new ATOM 346 N LEU A 23 2.290 -7.400 -19.704 1.00 0.00 N ATOM 347 CA LEU A 23 3.081 -8.623 -19.474 1.00 0.00 C ATOM 348 C LEU A 23 2.589 -9.780 -20.349 1.00 0.00 C ATOM 349 O LEU A 23 1.476 -10.256 -20.138 1.00 0.00 O ATOM 350 CB LEU A 23 2.884 -9.112 -18.022 1.00 0.00 C ATOM 351 CG LEU A 23 3.408 -8.232 -16.886 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.884 -8.750 -15.543 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.915 -8.304 -16.750 1.00 0.00 C ATOM 0 H LEU A 23 1.364 -7.460 -19.280 1.00 0.00 H new ATOM 0 HA LEU A 23 4.117 -8.368 -19.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.816 -9.261 -17.863 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.359 -10.089 -17.932 1.00 0.00 H new ATOM 0 HG LEU A 23 3.081 -7.219 -17.122 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.261 -8.119 -14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.794 -8.726 -15.544 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.224 -9.774 -15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.237 -7.662 -15.930 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.213 -9.332 -16.545 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.380 -7.970 -17.677 1.00 0.00 H new ATOM 365 N SER A 24 3.397 -10.313 -21.267 1.00 0.00 N ATOM 366 CA SER A 24 3.030 -11.564 -21.941 1.00 0.00 C ATOM 367 C SER A 24 2.997 -12.737 -20.947 1.00 0.00 C ATOM 368 O SER A 24 3.634 -12.645 -19.903 1.00 0.00 O ATOM 369 CB SER A 24 4.001 -11.830 -23.092 1.00 0.00 C ATOM 370 OG SER A 24 4.113 -10.677 -23.905 1.00 0.00 O ATOM 0 H SER A 24 4.289 -9.912 -21.557 1.00 0.00 H new ATOM 0 HA SER A 24 2.025 -11.466 -22.352 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.980 -12.104 -22.698 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.650 -12.673 -23.688 1.00 0.00 H new ATOM 0 HG SER A 24 4.729 -10.040 -23.487 1.00 0.00 H new ATOM 376 N LYS A 25 2.300 -13.842 -21.263 1.00 0.00 N ATOM 377 CA LYS A 25 2.222 -15.058 -20.447 1.00 0.00 C ATOM 378 C LYS A 25 3.538 -15.402 -19.774 1.00 0.00 C ATOM 379 O LYS A 25 3.579 -15.610 -18.566 1.00 0.00 O ATOM 380 CB LYS A 25 1.822 -16.263 -21.305 1.00 0.00 C ATOM 381 CG LYS A 25 0.386 -16.196 -21.833 1.00 0.00 C ATOM 382 CD LYS A 25 -0.021 -17.471 -22.583 1.00 0.00 C ATOM 383 CE LYS A 25 0.779 -17.669 -23.878 1.00 0.00 C ATOM 384 NZ LYS A 25 0.264 -18.810 -24.653 1.00 0.00 N ATOM 0 H LYS A 25 1.758 -13.912 -22.124 1.00 0.00 H new ATOM 0 HA LYS A 25 1.473 -14.849 -19.683 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.507 -16.339 -22.150 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.941 -17.172 -20.716 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.298 -16.034 -21.000 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.286 -15.339 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.125 -18.334 -21.933 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.084 -17.427 -22.819 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.728 -16.763 -24.482 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.829 -17.833 -23.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.824 -18.920 -25.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.336 -19.677 -24.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.732 -18.640 -24.901 1.00 0.00 H new ATOM 398 N GLU A 26 4.611 -15.491 -20.553 1.00 0.00 N ATOM 399 CA GLU A 26 5.894 -15.902 -20.017 1.00 0.00 C ATOM 400 C GLU A 26 6.416 -14.861 -19.026 1.00 0.00 C ATOM 401 O GLU A 26 7.065 -15.227 -18.051 1.00 0.00 O ATOM 402 CB GLU A 26 6.887 -16.213 -21.143 1.00 0.00 C ATOM 403 CG GLU A 26 6.437 -17.410 -22.000 1.00 0.00 C ATOM 404 CD GLU A 26 5.268 -17.119 -22.945 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.036 -15.924 -23.239 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.606 -18.102 -23.341 1.00 0.00 O ATOM 0 H GLU A 26 4.613 -15.284 -21.552 1.00 0.00 H new ATOM 0 HA GLU A 26 5.767 -16.831 -19.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.000 -15.335 -21.779 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.867 -16.423 -20.714 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.286 -17.756 -22.590 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.155 -18.228 -21.337 1.00 0.00 H new ATOM 413 N GLU A 27 6.096 -13.579 -19.229 1.00 0.00 N ATOM 414 CA GLU A 27 6.492 -12.521 -18.319 1.00 0.00 C ATOM 415 C GLU A 27 5.645 -12.598 -17.046 1.00 0.00 C ATOM 416 O GLU A 27 6.175 -12.497 -15.937 1.00 0.00 O ATOM 417 CB GLU A 27 6.363 -11.169 -19.040 1.00 0.00 C ATOM 418 CG GLU A 27 7.399 -10.149 -18.549 1.00 0.00 C ATOM 419 CD GLU A 27 8.852 -10.558 -18.811 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.072 -11.405 -19.704 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.726 -10.029 -18.094 1.00 0.00 O ATOM 0 H GLU A 27 5.555 -13.255 -20.031 1.00 0.00 H new ATOM 0 HA GLU A 27 7.533 -12.635 -18.016 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.483 -11.318 -20.113 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.361 -10.770 -18.884 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.209 -9.192 -19.035 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.263 -9.996 -17.478 1.00 0.00 H new ATOM 428 N LEU A 28 4.333 -12.813 -17.205 1.00 0.00 N ATOM 429 CA LEU A 28 3.415 -13.039 -16.099 1.00 0.00 C ATOM 430 C LEU A 28 3.913 -14.218 -15.259 1.00 0.00 C ATOM 431 O LEU A 28 3.991 -14.139 -14.035 1.00 0.00 O ATOM 432 CB LEU A 28 1.987 -13.214 -16.651 1.00 0.00 C ATOM 433 CG LEU A 28 0.842 -13.275 -15.621 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.651 -14.668 -15.011 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.962 -12.205 -14.533 1.00 0.00 C ATOM 0 H LEU A 28 3.881 -12.834 -18.119 1.00 0.00 H new ATOM 0 HA LEU A 28 3.380 -12.181 -15.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.784 -12.389 -17.334 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.962 -14.130 -17.241 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.060 -13.054 -16.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.170 -14.642 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.421 -15.383 -15.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.566 -14.971 -14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.128 -12.298 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.900 -12.338 -13.994 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.943 -11.216 -14.991 1.00 0.00 H new ATOM 447 N LYS A 29 4.305 -15.311 -15.910 1.00 0.00 N ATOM 448 CA LYS A 29 4.913 -16.426 -15.214 1.00 0.00 C ATOM 449 C LYS A 29 6.205 -15.988 -14.514 1.00 0.00 C ATOM 450 O LYS A 29 6.416 -16.304 -13.343 1.00 0.00 O ATOM 451 CB LYS A 29 5.160 -17.533 -16.245 1.00 0.00 C ATOM 452 CG LYS A 29 5.503 -18.870 -15.589 1.00 0.00 C ATOM 453 CD LYS A 29 5.923 -19.905 -16.639 1.00 0.00 C ATOM 454 CE LYS A 29 7.387 -19.738 -17.065 1.00 0.00 C ATOM 455 NZ LYS A 29 7.727 -20.647 -18.173 1.00 0.00 N ATOM 0 H LYS A 29 4.210 -15.442 -16.917 1.00 0.00 H new ATOM 0 HA LYS A 29 4.256 -16.801 -14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.272 -17.653 -16.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.974 -17.236 -16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.309 -18.730 -14.869 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.640 -19.239 -15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.775 -20.908 -16.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.279 -19.814 -17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.564 -18.707 -17.370 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.040 -19.936 -16.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.744 -20.862 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.184 -21.529 -18.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.493 -20.193 -19.079 1.00 0.00 H new ATOM 469 N LEU A 30 7.096 -15.293 -15.225 1.00 0.00 N ATOM 470 CA LEU A 30 8.365 -14.813 -14.682 1.00 0.00 C ATOM 471 C LEU A 30 8.158 -14.094 -13.346 1.00 0.00 C ATOM 472 O LEU A 30 8.707 -14.515 -12.322 1.00 0.00 O ATOM 473 CB LEU A 30 9.109 -13.907 -15.684 1.00 0.00 C ATOM 474 CG LEU A 30 10.638 -14.088 -15.697 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.272 -14.262 -14.309 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.028 -15.283 -16.575 1.00 0.00 C ATOM 0 H LEU A 30 6.953 -15.046 -16.204 1.00 0.00 H new ATOM 0 HA LEU A 30 8.991 -15.688 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.724 -14.102 -16.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.881 -12.867 -15.452 1.00 0.00 H new ATOM 0 HG LEU A 30 11.030 -13.156 -16.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.350 -14.383 -14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.063 -13.382 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.853 -15.145 -13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.112 -15.397 -16.573 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.567 -16.189 -16.182 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.682 -15.113 -17.595 1.00 0.00 H new ATOM 488 N LEU A 31 7.382 -13.004 -13.334 1.00 0.00 N ATOM 489 CA LEU A 31 7.304 -12.200 -12.121 1.00 0.00 C ATOM 490 C LEU A 31 6.536 -12.922 -11.026 1.00 0.00 C ATOM 491 O LEU A 31 6.894 -12.785 -9.860 1.00 0.00 O ATOM 492 CB LEU A 31 6.868 -10.745 -12.348 1.00 0.00 C ATOM 493 CG LEU A 31 5.378 -10.403 -12.338 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.195 -8.885 -12.413 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.709 -11.020 -13.549 1.00 0.00 C ATOM 0 H LEU A 31 6.822 -12.672 -14.119 1.00 0.00 H new ATOM 0 HA LEU A 31 8.327 -12.090 -11.760 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.350 -10.135 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.271 -10.428 -13.310 1.00 0.00 H new ATOM 0 HG LEU A 31 4.934 -10.790 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.132 -8.646 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.678 -8.417 -11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.645 -8.509 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.647 -10.776 -13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.165 -10.626 -14.457 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.833 -12.103 -13.521 1.00 0.00 H new ATOM 507 N LEU A 32 5.520 -13.723 -11.366 1.00 0.00 N ATOM 508 CA LEU A 32 4.839 -14.482 -10.330 1.00 0.00 C ATOM 509 C LEU A 32 5.783 -15.505 -9.717 1.00 0.00 C ATOM 510 O LEU A 32 5.825 -15.605 -8.499 1.00 0.00 O ATOM 511 CB LEU A 32 3.503 -15.056 -10.812 1.00 0.00 C ATOM 512 CG LEU A 32 2.375 -14.050 -10.547 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.704 -12.652 -11.071 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.102 -14.515 -11.235 1.00 0.00 C ATOM 0 H LEU A 32 5.167 -13.856 -12.314 1.00 0.00 H new ATOM 0 HA LEU A 32 4.559 -13.804 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.558 -15.282 -11.877 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.294 -15.994 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 32 2.249 -13.997 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.874 -11.979 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.605 -12.283 -10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.868 -12.696 -12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.303 -13.798 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.275 -14.589 -12.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.814 -15.491 -10.846 1.00 0.00 H new ATOM 526 N GLN A 33 6.592 -16.218 -10.502 1.00 0.00 N ATOM 527 CA GLN A 33 7.598 -17.084 -9.899 1.00 0.00 C ATOM 528 C GLN A 33 8.540 -16.281 -9.001 1.00 0.00 C ATOM 529 O GLN A 33 8.785 -16.679 -7.866 1.00 0.00 O ATOM 530 CB GLN A 33 8.423 -17.803 -10.968 1.00 0.00 C ATOM 531 CG GLN A 33 7.620 -18.841 -11.757 1.00 0.00 C ATOM 532 CD GLN A 33 8.357 -19.198 -13.040 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.520 -18.204 -13.907 1.00 0.00 O flip ATOM 534 NE2 GLN A 33 8.771 -20.331 -13.254 1.00 0.00 N flip ATOM 0 H GLN A 33 6.572 -16.214 -11.522 1.00 0.00 H new ATOM 0 HA GLN A 33 7.067 -17.824 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.829 -17.066 -11.660 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.271 -18.295 -10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.471 -19.735 -11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.631 -18.447 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.625 -21.066 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.261 -20.539 -14.124 1.00 0.00 H new ATOM 543 N THR A 34 9.092 -15.177 -9.516 1.00 0.00 N ATOM 544 CA THR A 34 10.105 -14.430 -8.776 1.00 0.00 C ATOM 545 C THR A 34 9.522 -13.889 -7.464 1.00 0.00 C ATOM 546 O THR A 34 10.058 -14.133 -6.386 1.00 0.00 O ATOM 547 CB THR A 34 10.695 -13.281 -9.617 1.00 0.00 C ATOM 548 OG1 THR A 34 10.966 -13.655 -10.959 1.00 0.00 O ATOM 549 CG2 THR A 34 12.014 -12.814 -8.989 1.00 0.00 C ATOM 0 H THR A 34 8.856 -14.788 -10.429 1.00 0.00 H new ATOM 0 HA THR A 34 10.917 -15.119 -8.544 1.00 0.00 H new ATOM 0 HB THR A 34 9.945 -12.490 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.123 -13.843 -11.423 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.432 -12.001 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.829 -12.463 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.719 -13.645 -8.964 1.00 0.00 H new ATOM 557 N GLU A 35 8.442 -13.114 -7.572 1.00 0.00 N ATOM 558 CA GLU A 35 7.874 -12.346 -6.481 1.00 0.00 C ATOM 559 C GLU A 35 6.931 -13.196 -5.624 1.00 0.00 C ATOM 560 O GLU A 35 6.867 -13.001 -4.412 1.00 0.00 O ATOM 561 CB GLU A 35 7.168 -11.110 -7.070 1.00 0.00 C ATOM 562 CG GLU A 35 8.087 -10.266 -7.966 1.00 0.00 C ATOM 563 CD GLU A 35 9.381 -9.851 -7.274 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.275 -9.191 -6.219 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.451 -10.204 -7.816 1.00 0.00 O ATOM 0 H GLU A 35 7.930 -13.005 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 35 8.669 -12.017 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.303 -11.434 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.793 -10.490 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.329 -10.833 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.551 -9.373 -8.287 1.00 0.00 H new ATOM 572 N PHE A 36 6.190 -14.123 -6.241 1.00 0.00 N ATOM 573 CA PHE A 36 5.103 -14.855 -5.598 1.00 0.00 C ATOM 574 C PHE A 36 5.168 -16.363 -5.895 1.00 0.00 C ATOM 575 O PHE A 36 4.233 -16.900 -6.502 1.00 0.00 O ATOM 576 CB PHE A 36 3.786 -14.266 -6.117 1.00 0.00 C ATOM 577 CG PHE A 36 3.640 -12.762 -5.956 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.784 -12.174 -4.686 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.386 -11.946 -7.077 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.715 -10.778 -4.543 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.291 -10.552 -6.928 1.00 0.00 C ATOM 582 CZ PHE A 36 3.487 -9.968 -5.667 1.00 0.00 C ATOM 0 H PHE A 36 6.334 -14.387 -7.216 1.00 0.00 H new ATOM 0 HA PHE A 36 5.183 -14.750 -4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.688 -14.513 -7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.960 -14.752 -5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.948 -12.797 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.264 -12.393 -8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.837 -10.328 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.067 -9.931 -7.783 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.462 -8.893 -5.561 1.00 0.00 H new ATOM 592 N PRO A 37 6.235 -17.066 -5.478 1.00 0.00 N ATOM 593 CA PRO A 37 6.456 -18.472 -5.799 1.00 0.00 C ATOM 594 C PRO A 37 5.381 -19.370 -5.170 1.00 0.00 C ATOM 595 O PRO A 37 5.577 -19.925 -4.091 1.00 0.00 O ATOM 596 CB PRO A 37 7.870 -18.789 -5.295 1.00 0.00 C ATOM 597 CG PRO A 37 8.086 -17.771 -4.176 1.00 0.00 C ATOM 598 CD PRO A 37 7.346 -16.541 -4.700 1.00 0.00 C ATOM 0 HA PRO A 37 6.378 -18.664 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.945 -19.812 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.612 -18.680 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.676 -18.118 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.144 -17.568 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.992 -15.916 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.999 -15.921 -5.315 1.00 0.00 H new ATOM 606 N SER A 38 4.236 -19.479 -5.851 1.00 0.00 N ATOM 607 CA SER A 38 3.032 -20.249 -5.521 1.00 0.00 C ATOM 608 C SER A 38 1.800 -19.628 -6.184 1.00 0.00 C ATOM 609 O SER A 38 0.866 -20.349 -6.520 1.00 0.00 O ATOM 610 CB SER A 38 2.799 -20.403 -4.009 1.00 0.00 C ATOM 611 OG SER A 38 3.068 -19.200 -3.319 1.00 0.00 O ATOM 0 H SER A 38 4.117 -18.982 -6.734 1.00 0.00 H new ATOM 0 HA SER A 38 3.196 -21.252 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.768 -20.705 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.437 -21.197 -3.620 1.00 0.00 H new ATOM 0 HG SER A 38 2.909 -19.330 -2.361 1.00 0.00 H new ATOM 617 N LEU A 39 1.788 -18.314 -6.421 1.00 0.00 N ATOM 618 CA LEU A 39 0.631 -17.637 -7.002 1.00 0.00 C ATOM 619 C LEU A 39 0.366 -18.136 -8.425 1.00 0.00 C ATOM 620 O LEU A 39 -0.782 -18.294 -8.829 1.00 0.00 O ATOM 621 CB LEU A 39 0.848 -16.122 -6.934 1.00 0.00 C ATOM 622 CG LEU A 39 -0.306 -15.271 -7.486 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.654 -15.600 -6.830 1.00 0.00 C ATOM 624 CD2 LEU A 39 0.015 -13.796 -7.223 1.00 0.00 C ATOM 0 H LEU A 39 2.573 -17.696 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.265 -17.872 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.020 -15.842 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.756 -15.876 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.397 -15.487 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.431 -14.968 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.899 -16.647 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.590 -15.419 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.793 -13.174 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.120 -13.632 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.947 -13.532 -7.723 1.00 0.00 H new ATOM 636 N LEU A 40 1.433 -18.432 -9.175 1.00 0.00 N ATOM 637 CA LEU A 40 1.328 -19.101 -10.469 1.00 0.00 C ATOM 638 C LEU A 40 0.776 -20.530 -10.367 1.00 0.00 C ATOM 639 O LEU A 40 0.312 -21.071 -11.368 1.00 0.00 O ATOM 640 CB LEU A 40 2.644 -19.018 -11.263 1.00 0.00 C ATOM 641 CG LEU A 40 3.907 -19.732 -10.739 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.393 -19.242 -9.372 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.805 -21.260 -10.721 1.00 0.00 C ATOM 0 H LEU A 40 2.391 -18.214 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 40 0.582 -18.551 -11.043 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.444 -19.404 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.890 -17.962 -11.373 1.00 0.00 H new ATOM 0 HG LEU A 40 4.654 -19.450 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.284 -19.798 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.631 -18.180 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.610 -19.399 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.735 -21.682 -10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.978 -21.562 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.629 -21.625 -11.733 1.00 0.00 H new ATOM 655 N LYS A 41 0.830 -21.142 -9.175 1.00 0.00 N ATOM 656 CA LYS A 41 0.353 -22.482 -8.847 1.00 0.00 C ATOM 657 C LYS A 41 1.150 -23.594 -9.538 1.00 0.00 C ATOM 658 O LYS A 41 1.725 -24.443 -8.861 1.00 0.00 O ATOM 659 CB LYS A 41 -1.155 -22.606 -9.082 1.00 0.00 C ATOM 660 CG LYS A 41 -1.954 -21.628 -8.208 1.00 0.00 C ATOM 661 CD LYS A 41 -3.409 -21.496 -8.679 1.00 0.00 C ATOM 662 CE LYS A 41 -3.516 -20.592 -9.915 1.00 0.00 C ATOM 663 NZ LYS A 41 -4.913 -20.463 -10.367 1.00 0.00 N ATOM 0 H LYS A 41 1.237 -20.677 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 41 0.531 -22.625 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.375 -22.417 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.473 -23.626 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.937 -21.969 -7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.476 -20.649 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.809 -22.483 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.019 -21.087 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.115 -19.606 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.907 -21.002 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.952 -19.846 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.287 -21.402 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.488 -20.049 -9.605 1.00 0.00 H new ATOM 677 N GLY A 42 1.187 -23.617 -10.870 1.00 0.00 N ATOM 678 CA GLY A 42 1.909 -24.622 -11.629 1.00 0.00 C ATOM 679 C GLY A 42 1.983 -24.208 -13.094 1.00 0.00 C ATOM 680 O GLY A 42 1.311 -23.264 -13.507 1.00 0.00 O ATOM 0 H GLY A 42 0.710 -22.929 -11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.914 -24.744 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.410 -25.587 -11.539 1.00 0.00 H new ATOM 684 N MET A 43 2.818 -24.908 -13.870 1.00 0.00 N ATOM 685 CA MET A 43 3.110 -24.564 -15.254 1.00 0.00 C ATOM 686 C MET A 43 1.816 -24.509 -16.070 1.00 0.00 C ATOM 687 O MET A 43 1.398 -23.440 -16.507 1.00 0.00 O ATOM 688 CB MET A 43 4.126 -25.572 -15.816 1.00 0.00 C ATOM 689 CG MET A 43 4.650 -25.181 -17.205 1.00 0.00 C ATOM 690 SD MET A 43 5.525 -23.597 -17.337 1.00 0.00 S ATOM 691 CE MET A 43 6.902 -23.863 -16.195 1.00 0.00 C ATOM 0 H MET A 43 3.313 -25.738 -13.545 1.00 0.00 H new ATOM 0 HA MET A 43 3.557 -23.572 -15.315 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.966 -25.656 -15.127 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.661 -26.556 -15.873 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.321 -25.969 -17.548 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.805 -25.160 -17.893 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.606 -23.034 -16.274 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.523 -23.921 -15.175 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.409 -24.795 -16.447 1.00 0.00 H new ATOM 701 N SER A 44 1.160 -25.658 -16.250 1.00 0.00 N ATOM 702 CA SER A 44 -0.110 -25.761 -16.952 1.00 0.00 C ATOM 703 C SER A 44 -1.119 -24.752 -16.400 1.00 0.00 C ATOM 704 O SER A 44 -1.790 -24.049 -17.155 1.00 0.00 O ATOM 705 CB SER A 44 -0.615 -27.199 -16.803 1.00 0.00 C ATOM 706 OG SER A 44 0.474 -28.089 -16.971 1.00 0.00 O ATOM 0 H SER A 44 1.506 -26.553 -15.905 1.00 0.00 H new ATOM 0 HA SER A 44 0.021 -25.527 -18.008 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.068 -27.339 -15.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.388 -27.405 -17.543 1.00 0.00 H new ATOM 0 HG SER A 44 0.160 -29.012 -16.875 1.00 0.00 H new ATOM 712 N THR A 45 -1.194 -24.659 -15.072 1.00 0.00 N ATOM 713 CA THR A 45 -2.077 -23.769 -14.343 1.00 0.00 C ATOM 714 C THR A 45 -1.931 -22.308 -14.777 1.00 0.00 C ATOM 715 O THR A 45 -2.892 -21.546 -14.661 1.00 0.00 O ATOM 716 CB THR A 45 -1.807 -23.944 -12.840 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.154 -25.183 -12.602 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.122 -23.914 -12.053 1.00 0.00 C ATOM 0 H THR A 45 -0.614 -25.229 -14.456 1.00 0.00 H new ATOM 0 HA THR A 45 -3.110 -24.035 -14.568 1.00 0.00 H new ATOM 0 HB THR A 45 -1.170 -23.124 -12.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.985 -25.284 -11.642 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.913 -24.039 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.621 -22.958 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.768 -24.723 -12.393 1.00 0.00 H new ATOM 726 N LEU A 46 -0.764 -21.913 -15.308 1.00 0.00 N ATOM 727 CA LEU A 46 -0.572 -20.582 -15.865 1.00 0.00 C ATOM 728 C LEU A 46 -1.653 -20.300 -16.897 1.00 0.00 C ATOM 729 O LEU A 46 -2.193 -19.202 -16.922 1.00 0.00 O ATOM 730 CB LEU A 46 0.803 -20.449 -16.533 1.00 0.00 C ATOM 731 CG LEU A 46 1.082 -19.020 -17.044 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.526 -18.110 -15.894 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.169 -19.086 -18.120 1.00 0.00 C ATOM 0 H LEU A 46 0.063 -22.508 -15.359 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.632 -19.864 -15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.577 -20.733 -15.820 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.866 -21.147 -17.367 1.00 0.00 H new ATOM 0 HG LEU A 46 0.169 -18.601 -17.467 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.717 -17.107 -16.276 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.740 -18.067 -15.140 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.437 -18.508 -15.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.376 -18.082 -18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.078 -19.510 -17.693 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.828 -19.713 -18.944 1.00 0.00 H new ATOM 745 N ASP A 47 -1.964 -21.274 -17.754 1.00 0.00 N ATOM 746 CA ASP A 47 -2.964 -21.090 -18.794 1.00 0.00 C ATOM 747 C ASP A 47 -4.288 -20.656 -18.169 1.00 0.00 C ATOM 748 O ASP A 47 -4.872 -19.650 -18.567 1.00 0.00 O ATOM 749 CB ASP A 47 -3.121 -22.393 -19.578 1.00 0.00 C ATOM 750 CG ASP A 47 -4.167 -22.243 -20.677 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.788 -21.729 -21.751 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.324 -22.637 -20.417 1.00 0.00 O ATOM 0 H ASP A 47 -1.534 -22.199 -17.744 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.646 -20.307 -19.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.164 -22.676 -20.017 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.411 -23.197 -18.901 1.00 0.00 H new ATOM 757 N GLU A 48 -4.734 -21.407 -17.163 1.00 0.00 N ATOM 758 CA GLU A 48 -5.994 -21.159 -16.484 1.00 0.00 C ATOM 759 C GLU A 48 -5.954 -19.790 -15.806 1.00 0.00 C ATOM 760 O GLU A 48 -6.818 -18.946 -16.043 1.00 0.00 O ATOM 761 CB GLU A 48 -6.259 -22.274 -15.464 1.00 0.00 C ATOM 762 CG GLU A 48 -6.325 -23.657 -16.126 1.00 0.00 C ATOM 763 CD GLU A 48 -6.585 -24.746 -15.091 1.00 0.00 C ATOM 764 OE1 GLU A 48 -5.630 -25.051 -14.344 1.00 0.00 O ATOM 765 OE2 GLU A 48 -7.731 -25.244 -15.060 1.00 0.00 O ATOM 0 H GLU A 48 -4.223 -22.210 -16.797 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.808 -21.157 -17.208 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.471 -22.270 -14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.197 -22.075 -14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.115 -23.668 -16.877 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.389 -23.860 -16.646 1.00 0.00 H new ATOM 772 N LEU A 49 -4.940 -19.575 -14.963 1.00 0.00 N ATOM 773 CA LEU A 49 -4.760 -18.321 -14.247 1.00 0.00 C ATOM 774 C LEU A 49 -4.814 -17.159 -15.236 1.00 0.00 C ATOM 775 O LEU A 49 -5.658 -16.276 -15.116 1.00 0.00 O ATOM 776 CB LEU A 49 -3.431 -18.357 -13.476 1.00 0.00 C ATOM 777 CG LEU A 49 -3.091 -17.038 -12.761 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.160 -16.641 -11.735 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.743 -17.191 -12.052 1.00 0.00 C ATOM 0 H LEU A 49 -4.222 -20.271 -14.761 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.562 -18.180 -13.522 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.471 -19.159 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.626 -18.601 -14.169 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.049 -16.250 -13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.875 -15.704 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.118 -16.515 -12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.247 -17.422 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.493 -16.261 -11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.805 -17.999 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.970 -17.422 -12.785 1.00 0.00 H new ATOM 791 N PHE A 50 -3.923 -17.181 -16.227 1.00 0.00 N ATOM 792 CA PHE A 50 -3.813 -16.157 -17.248 1.00 0.00 C ATOM 793 C PHE A 50 -5.147 -15.940 -17.959 1.00 0.00 C ATOM 794 O PHE A 50 -5.535 -14.798 -18.175 1.00 0.00 O ATOM 795 CB PHE A 50 -2.707 -16.529 -18.237 1.00 0.00 C ATOM 796 CG PHE A 50 -2.231 -15.367 -19.079 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.835 -15.081 -20.318 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.134 -14.603 -18.645 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.268 -14.113 -21.162 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.599 -13.606 -19.469 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.101 -13.438 -20.764 1.00 0.00 C ATOM 0 H PHE A 50 -3.244 -17.934 -16.339 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.548 -15.213 -16.771 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.860 -16.938 -17.685 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.070 -17.319 -18.895 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.731 -15.604 -20.618 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.702 -14.786 -17.672 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.727 -13.888 -22.113 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.196 -12.971 -19.107 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.591 -12.788 -21.460 1.00 0.00 H new ATOM 811 N GLU A 51 -5.855 -17.017 -18.317 1.00 0.00 N ATOM 812 CA GLU A 51 -7.142 -16.910 -18.990 1.00 0.00 C ATOM 813 C GLU A 51 -8.132 -16.095 -18.156 1.00 0.00 C ATOM 814 O GLU A 51 -8.834 -15.236 -18.684 1.00 0.00 O ATOM 815 CB GLU A 51 -7.680 -18.313 -19.316 1.00 0.00 C ATOM 816 CG GLU A 51 -8.973 -18.292 -20.146 1.00 0.00 C ATOM 817 CD GLU A 51 -8.795 -17.627 -21.511 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.774 -17.933 -22.166 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.688 -16.835 -21.881 1.00 0.00 O ATOM 0 H GLU A 51 -5.551 -17.976 -18.148 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.008 -16.374 -19.930 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.917 -18.870 -19.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.863 -18.849 -18.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.323 -19.314 -20.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.747 -17.765 -19.589 1.00 0.00 H new ATOM 826 N GLU A 52 -8.189 -16.363 -16.851 1.00 0.00 N ATOM 827 CA GLU A 52 -9.110 -15.662 -15.963 1.00 0.00 C ATOM 828 C GLU A 52 -8.641 -14.221 -15.749 1.00 0.00 C ATOM 829 O GLU A 52 -9.434 -13.283 -15.748 1.00 0.00 O ATOM 830 CB GLU A 52 -9.219 -16.409 -14.625 1.00 0.00 C ATOM 831 CG GLU A 52 -9.812 -17.818 -14.782 1.00 0.00 C ATOM 832 CD GLU A 52 -11.240 -17.790 -15.315 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.119 -17.334 -14.553 1.00 0.00 O ATOM 834 OE2 GLU A 52 -11.426 -18.224 -16.474 1.00 0.00 O ATOM 0 H GLU A 52 -7.607 -17.061 -16.388 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.098 -15.633 -16.421 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.230 -16.483 -14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.840 -15.832 -13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.186 -18.400 -15.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.797 -18.326 -13.817 1.00 0.00 H new ATOM 841 N LEU A 53 -7.337 -14.064 -15.527 1.00 0.00 N ATOM 842 CA LEU A 53 -6.681 -12.806 -15.224 1.00 0.00 C ATOM 843 C LEU A 53 -6.847 -11.828 -16.389 1.00 0.00 C ATOM 844 O LEU A 53 -7.393 -10.735 -16.228 1.00 0.00 O ATOM 845 CB LEU A 53 -5.207 -13.134 -14.961 1.00 0.00 C ATOM 846 CG LEU A 53 -4.375 -12.057 -14.265 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.943 -12.612 -14.206 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.413 -10.676 -14.918 1.00 0.00 C ATOM 0 H LEU A 53 -6.686 -14.848 -15.556 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.119 -12.323 -14.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.163 -14.040 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.735 -13.364 -15.916 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.799 -11.868 -13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.292 -11.887 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.937 -13.544 -13.641 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.583 -12.799 -15.218 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.791 -9.986 -14.347 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.036 -10.745 -15.938 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.439 -10.310 -14.935 1.00 0.00 H new ATOM 860 N ASP A 54 -6.352 -12.211 -17.568 1.00 0.00 N ATOM 861 CA ASP A 54 -6.392 -11.390 -18.764 1.00 0.00 C ATOM 862 C ASP A 54 -7.797 -11.465 -19.358 1.00 0.00 C ATOM 863 O ASP A 54 -7.991 -11.971 -20.460 1.00 0.00 O ATOM 864 CB ASP A 54 -5.349 -11.880 -19.780 1.00 0.00 C ATOM 865 CG ASP A 54 -5.292 -11.042 -21.062 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.841 -9.918 -21.056 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.700 -11.542 -22.045 1.00 0.00 O ATOM 0 H ASP A 54 -5.906 -13.117 -17.713 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.156 -10.356 -18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.366 -11.874 -19.309 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.570 -12.915 -20.043 1.00 0.00 H new ATOM 872 N LYS A 55 -8.779 -10.948 -18.628 1.00 0.00 N ATOM 873 CA LYS A 55 -10.175 -10.947 -19.049 1.00 0.00 C ATOM 874 C LYS A 55 -10.362 -10.195 -20.373 1.00 0.00 C ATOM 875 O LYS A 55 -11.241 -10.529 -21.163 1.00 0.00 O ATOM 876 CB LYS A 55 -11.082 -10.418 -17.927 1.00 0.00 C ATOM 877 CG LYS A 55 -10.736 -8.998 -17.458 1.00 0.00 C ATOM 878 CD LYS A 55 -11.740 -8.543 -16.394 1.00 0.00 C ATOM 879 CE LYS A 55 -11.542 -7.070 -16.019 1.00 0.00 C ATOM 880 NZ LYS A 55 -10.182 -6.806 -15.519 1.00 0.00 N ATOM 0 H LYS A 55 -8.627 -10.513 -17.718 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.478 -11.976 -19.241 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.116 -10.433 -18.273 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.021 -11.095 -17.075 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.725 -8.976 -17.050 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.753 -8.311 -18.304 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.754 -8.691 -16.764 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.632 -9.163 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.736 -6.445 -16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.269 -6.789 -15.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.160 -5.881 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.910 -7.548 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.514 -6.802 -16.316 1.00 0.00 H new ATOM 894 N ALA A 56 -9.514 -9.193 -20.633 1.00 0.00 N ATOM 895 CA ALA A 56 -9.458 -8.493 -21.911 1.00 0.00 C ATOM 896 C ALA A 56 -9.086 -9.434 -23.066 1.00 0.00 C ATOM 897 O ALA A 56 -9.412 -9.156 -24.215 1.00 0.00 O ATOM 898 CB ALA A 56 -8.453 -7.342 -21.811 1.00 0.00 C ATOM 0 H ALA A 56 -8.841 -8.845 -19.950 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.451 -8.099 -22.130 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.407 -6.815 -22.764 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.768 -6.651 -21.029 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.467 -7.740 -21.568 1.00 0.00 H new ATOM 904 N GLY A 57 -8.380 -10.529 -22.769 1.00 0.00 N ATOM 905 CA GLY A 57 -7.986 -11.539 -23.737 1.00 0.00 C ATOM 906 C GLY A 57 -7.041 -10.977 -24.791 1.00 0.00 C ATOM 907 O GLY A 57 -7.080 -11.394 -25.946 1.00 0.00 O ATOM 0 H GLY A 57 -8.062 -10.736 -21.822 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.502 -12.368 -23.220 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.874 -11.942 -24.224 1.00 0.00 H new ATOM 911 N ASP A 58 -6.156 -10.057 -24.389 1.00 0.00 N ATOM 912 CA ASP A 58 -5.184 -9.468 -25.302 1.00 0.00 C ATOM 913 C ASP A 58 -3.991 -10.406 -25.533 1.00 0.00 C ATOM 914 O ASP A 58 -3.159 -10.143 -26.395 1.00 0.00 O ATOM 915 CB ASP A 58 -4.745 -8.094 -24.773 1.00 0.00 C ATOM 916 CG ASP A 58 -4.002 -7.269 -25.824 1.00 0.00 C ATOM 917 OD1 ASP A 58 -4.454 -7.274 -26.989 1.00 0.00 O ATOM 918 OD2 ASP A 58 -3.016 -6.604 -25.439 1.00 0.00 O ATOM 0 H ASP A 58 -6.097 -9.707 -23.433 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.654 -9.325 -26.275 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.622 -7.541 -24.436 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.102 -8.232 -23.904 1.00 0.00 H new ATOM 923 N GLY A 59 -3.882 -11.485 -24.748 1.00 0.00 N ATOM 924 CA GLY A 59 -2.758 -12.412 -24.799 1.00 0.00 C ATOM 925 C GLY A 59 -1.588 -11.916 -23.950 1.00 0.00 C ATOM 926 O GLY A 59 -0.504 -12.499 -23.981 1.00 0.00 O ATOM 0 H GLY A 59 -4.584 -11.737 -24.052 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.077 -13.392 -24.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.433 -12.536 -25.832 1.00 0.00 H new ATOM 930 N GLU A 60 -1.811 -10.851 -23.174 1.00 0.00 N ATOM 931 CA GLU A 60 -0.803 -10.150 -22.405 1.00 0.00 C ATOM 932 C GLU A 60 -1.547 -9.267 -21.396 1.00 0.00 C ATOM 933 O GLU A 60 -2.561 -8.658 -21.727 1.00 0.00 O ATOM 934 CB GLU A 60 0.214 -9.478 -23.342 1.00 0.00 C ATOM 935 CG GLU A 60 -0.403 -8.689 -24.502 1.00 0.00 C ATOM 936 CD GLU A 60 0.676 -8.023 -25.355 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.135 -6.929 -24.957 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.037 -8.628 -26.387 1.00 0.00 O ATOM 0 H GLU A 60 -2.740 -10.445 -23.067 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.163 -10.802 -21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.838 -8.804 -22.755 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.871 -10.245 -23.752 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.000 -9.357 -25.123 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.080 -7.930 -24.109 1.00 0.00 H new ATOM 945 N VAL A 61 -1.091 -9.289 -20.143 1.00 0.00 N ATOM 946 CA VAL A 61 -1.753 -8.744 -18.970 1.00 0.00 C ATOM 947 C VAL A 61 -1.348 -7.289 -18.812 1.00 0.00 C ATOM 948 O VAL A 61 -0.227 -6.993 -18.396 1.00 0.00 O ATOM 949 CB VAL A 61 -1.338 -9.584 -17.749 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.749 -8.992 -16.397 1.00 0.00 C ATOM 951 CG2 VAL A 61 -1.963 -10.974 -17.874 1.00 0.00 C ATOM 0 H VAL A 61 -0.194 -9.716 -19.912 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.838 -8.785 -19.069 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.248 -9.611 -17.757 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.415 -9.650 -15.595 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.291 -8.011 -16.275 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.834 -8.893 -16.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.677 -11.580 -17.015 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.049 -10.883 -17.908 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.610 -11.451 -18.788 1.00 0.00 H new ATOM 961 N SER A 62 -2.254 -6.387 -19.177 1.00 0.00 N ATOM 962 CA SER A 62 -2.104 -4.955 -19.011 1.00 0.00 C ATOM 963 C SER A 62 -2.023 -4.627 -17.517 1.00 0.00 C ATOM 964 O SER A 62 -2.600 -5.350 -16.706 1.00 0.00 O ATOM 965 CB SER A 62 -3.296 -4.253 -19.685 1.00 0.00 C ATOM 966 OG SER A 62 -4.129 -5.190 -20.351 1.00 0.00 O ATOM 0 H SER A 62 -3.140 -6.647 -19.610 1.00 0.00 H new ATOM 0 HA SER A 62 -1.186 -4.602 -19.481 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.876 -3.714 -18.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.931 -3.514 -20.398 1.00 0.00 H new ATOM 0 HG SER A 62 -3.671 -5.525 -21.150 1.00 0.00 H new ATOM 972 N PHE A 63 -1.362 -3.531 -17.135 1.00 0.00 N ATOM 973 CA PHE A 63 -1.312 -3.105 -15.736 1.00 0.00 C ATOM 974 C PHE A 63 -2.714 -3.039 -15.111 1.00 0.00 C ATOM 975 O PHE A 63 -2.898 -3.323 -13.930 1.00 0.00 O ATOM 976 CB PHE A 63 -0.587 -1.760 -15.603 1.00 0.00 C ATOM 977 CG PHE A 63 -0.413 -1.288 -14.168 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.188 -2.129 -13.209 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.903 -0.028 -13.776 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.247 -1.735 -11.859 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.832 0.369 -12.429 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.284 -0.496 -11.467 1.00 0.00 C ATOM 0 H PHE A 63 -0.854 -2.923 -17.777 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.746 -3.855 -15.184 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.395 -1.841 -16.069 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.142 -1.004 -16.158 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.604 -3.079 -13.511 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.334 0.635 -14.511 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.700 -2.385 -11.125 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.199 1.341 -12.133 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.271 -0.208 -10.426 1.00 0.00 H new ATOM 992 N GLU A 64 -3.721 -2.676 -15.905 1.00 0.00 N ATOM 993 CA GLU A 64 -5.124 -2.702 -15.512 1.00 0.00 C ATOM 994 C GLU A 64 -5.523 -4.103 -15.028 1.00 0.00 C ATOM 995 O GLU A 64 -6.040 -4.265 -13.925 1.00 0.00 O ATOM 996 CB GLU A 64 -6.003 -2.243 -16.687 1.00 0.00 C ATOM 997 CG GLU A 64 -5.831 -0.752 -17.040 1.00 0.00 C ATOM 998 CD GLU A 64 -4.443 -0.376 -17.560 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.839 -1.226 -18.254 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.992 0.740 -17.226 1.00 0.00 O ATOM 0 H GLU A 64 -3.578 -2.349 -16.860 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.276 -2.013 -14.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.766 -2.845 -17.564 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.048 -2.432 -16.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.572 -0.483 -17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.046 -0.155 -16.154 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.259 -5.121 -15.849 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.548 -6.504 -15.511 1.00 0.00 C ATOM 1009 C GLU A 65 -4.719 -6.899 -14.282 1.00 0.00 C ATOM 1010 O GLU A 65 -5.214 -7.533 -13.350 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.225 -7.401 -16.717 1.00 0.00 C ATOM 1012 CG GLU A 65 -5.908 -7.009 -18.036 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.418 -7.186 -18.008 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.091 -6.322 -17.407 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -7.877 -8.183 -18.605 1.00 0.00 O ATOM 0 H GLU A 65 -4.837 -5.002 -16.770 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.604 -6.628 -15.271 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.146 -7.397 -16.872 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.508 -8.425 -16.472 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.675 -5.968 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.494 -7.611 -18.845 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.443 -6.500 -14.270 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.549 -6.816 -13.169 1.00 0.00 C ATOM 1024 C PHE A 66 -3.091 -6.272 -11.850 1.00 0.00 C ATOM 1025 O PHE A 66 -3.095 -6.982 -10.857 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.132 -6.310 -13.430 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.108 -6.927 -12.498 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.408 -8.210 -12.765 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.345 -6.217 -11.370 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.407 -8.754 -11.942 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.370 -6.748 -10.569 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.913 -8.010 -10.862 1.00 0.00 C ATOM 0 H PHE A 66 -3.012 -5.956 -15.017 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.498 -7.902 -13.092 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.857 -6.530 -14.462 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.112 -5.226 -13.318 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.034 -8.777 -13.605 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.096 -5.263 -11.120 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.787 -9.745 -12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.741 -6.184 -9.726 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.717 -8.407 -10.260 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.578 -5.033 -11.814 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.173 -4.479 -10.603 1.00 0.00 C ATOM 1044 C GLN A 67 -5.351 -5.329 -10.112 1.00 0.00 C ATOM 1045 O GLN A 67 -5.507 -5.519 -8.908 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.592 -3.027 -10.840 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.363 -2.111 -10.875 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.702 -0.785 -11.537 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.843 0.242 -10.880 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.839 -0.808 -12.857 1.00 0.00 N ATOM 0 H GLN A 67 -3.572 -4.395 -12.610 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.421 -4.497 -9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.138 -2.949 -11.780 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.270 -2.705 -10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.004 -1.936 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.554 -2.599 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.714 -1.682 -13.368 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.069 0.048 -13.361 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.167 -5.881 -11.017 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.195 -6.835 -10.604 1.00 0.00 C ATOM 1061 C VAL A 68 -6.536 -8.064 -9.961 1.00 0.00 C ATOM 1062 O VAL A 68 -7.023 -8.566 -8.952 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.147 -7.172 -11.764 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.208 -8.194 -11.333 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.862 -5.894 -12.227 1.00 0.00 C ATOM 0 H VAL A 68 -6.136 -5.688 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.829 -6.382 -9.841 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.554 -7.597 -12.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.866 -8.412 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.718 -9.112 -11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.794 -7.785 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.537 -6.132 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.433 -5.476 -11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.124 -5.166 -12.563 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.402 -8.526 -10.497 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.587 -9.539 -9.828 1.00 0.00 C ATOM 1077 C LEU A 69 -4.215 -9.057 -8.415 1.00 0.00 C ATOM 1078 O LEU A 69 -4.424 -9.769 -7.434 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.323 -9.850 -10.652 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.883 -11.320 -10.661 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.472 -11.376 -11.258 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.854 -11.973 -9.277 1.00 0.00 C ATOM 0 H LEU A 69 -5.029 -8.213 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.165 -10.459 -9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.495 -9.534 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.502 -9.246 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.616 -11.876 -11.246 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.127 -12.410 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.490 -10.978 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.794 -10.780 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.533 -13.010 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.157 -11.434 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.851 -11.940 -8.838 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.680 -7.836 -8.296 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.272 -7.255 -7.021 1.00 0.00 C ATOM 1096 C VAL A 70 -4.437 -7.249 -6.029 1.00 0.00 C ATOM 1097 O VAL A 70 -4.245 -7.550 -4.854 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.635 -5.860 -7.191 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.234 -5.272 -5.831 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.373 -5.920 -8.064 1.00 0.00 C ATOM 0 H VAL A 70 -3.518 -7.221 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.490 -7.890 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.386 -5.232 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.787 -4.289 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.118 -5.179 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.512 -5.930 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.951 -4.920 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.640 -6.579 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.631 -6.303 -9.051 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.655 -6.951 -6.490 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.843 -7.034 -5.650 1.00 0.00 C ATOM 1112 C LYS A 71 -6.964 -8.418 -4.993 1.00 0.00 C ATOM 1113 O LYS A 71 -7.428 -8.515 -3.860 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.091 -6.666 -6.465 1.00 0.00 C ATOM 1115 CG LYS A 71 -9.299 -6.391 -5.561 1.00 0.00 C ATOM 1116 CD LYS A 71 -10.514 -6.000 -6.408 1.00 0.00 C ATOM 1117 CE LYS A 71 -11.725 -5.729 -5.508 1.00 0.00 C ATOM 1118 NZ LYS A 71 -12.909 -5.351 -6.301 1.00 0.00 N ATOM 0 H LYS A 71 -5.840 -6.649 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.752 -6.313 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.882 -5.785 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.329 -7.477 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.529 -7.277 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.063 -5.591 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.284 -5.112 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.747 -6.799 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.949 -6.618 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.486 -4.931 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.712 -5.174 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.702 -4.489 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.150 -6.123 -6.955 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.537 -9.483 -5.682 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.482 -10.821 -5.111 1.00 0.00 C ATOM 1134 C LYS A 72 -5.279 -10.940 -4.169 1.00 0.00 C ATOM 1135 O LYS A 72 -5.439 -11.350 -3.019 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.439 -11.896 -6.209 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.544 -11.698 -7.256 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.493 -12.820 -8.301 1.00 0.00 C ATOM 1139 CE LYS A 72 -8.426 -12.528 -9.483 1.00 0.00 C ATOM 1140 NZ LYS A 72 -9.834 -12.415 -9.062 1.00 0.00 N ATOM 0 H LYS A 72 -6.221 -9.434 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.392 -10.988 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.466 -11.873 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.543 -12.881 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.519 -11.689 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.423 -10.731 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.471 -12.936 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.776 -13.765 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.117 -11.602 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.332 -13.322 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.442 -12.336 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.103 -13.260 -8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.952 -11.569 -8.468 1.00 0.00 H new ATOM 1154 N ILE A 73 -4.068 -10.597 -4.638 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.859 -10.774 -3.821 1.00 0.00 C ATOM 1156 C ILE A 73 -2.975 -10.047 -2.478 1.00 0.00 C ATOM 1157 O ILE A 73 -2.413 -10.486 -1.479 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.549 -10.410 -4.552 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -1.113 -8.944 -4.370 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.554 -10.851 -6.020 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.061 -8.547 -5.266 1.00 0.00 C ATOM 0 H ILE A 73 -3.902 -10.202 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.795 -11.844 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.775 -10.993 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.960 -8.291 -4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.838 -8.781 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.610 -10.571 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.679 -11.932 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.377 -10.364 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.318 -7.503 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.922 -9.176 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.218 -8.679 -6.311 1.00 0.00 H new ATOM 1173 N SER A 74 -3.692 -8.922 -2.479 1.00 0.00 N ATOM 1174 CA SER A 74 -4.121 -8.138 -1.328 1.00 0.00 C ATOM 1175 C SER A 74 -3.053 -7.144 -0.865 1.00 0.00 C ATOM 1176 O SER A 74 -3.382 -6.003 -0.550 1.00 0.00 O ATOM 1177 CB SER A 74 -4.648 -9.021 -0.187 1.00 0.00 C ATOM 1178 OG SER A 74 -5.699 -9.850 -0.650 1.00 0.00 O ATOM 0 H SER A 74 -4.011 -8.506 -3.354 1.00 0.00 H new ATOM 0 HA SER A 74 -4.966 -7.535 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.839 -9.635 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.004 -8.395 0.631 1.00 0.00 H new ATOM 0 HG SER A 74 -5.389 -10.372 -1.419 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.781 -7.554 -0.826 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.673 -6.696 -0.407 1.00 0.00 C ATOM 1186 C GLN A 75 0.608 -7.017 -1.180 1.00 0.00 C ATOM 1187 O GLN A 75 1.287 -6.046 -1.581 1.00 0.00 O ATOM 1188 CB GLN A 75 -0.481 -6.749 1.123 1.00 0.00 C ATOM 1189 CG GLN A 75 0.071 -8.061 1.704 1.00 0.00 C ATOM 1190 CD GLN A 75 -0.794 -9.268 1.358 1.00 0.00 C ATOM 1191 OE1 GLN A 75 -1.787 -9.542 2.021 1.00 0.00 O ATOM 1192 NE2 GLN A 75 -0.447 -9.963 0.281 1.00 0.00 N ATOM 1193 OXT GLN A 75 0.890 -8.226 -1.348 1.00 0.00 O ATOM 0 H GLN A 75 -1.492 -8.497 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.926 -5.665 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.191 -5.940 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.443 -6.546 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.081 -8.223 1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.145 -7.971 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.387 -9.704 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.015 -10.755 -0.019 1.00 0.00 H new TER 1202 GLN A 75