USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 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 13 TYR OH : rot -162:sc= 1.26 USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= 0.137 F(o=-0.23,f=2.6) USER MOD Set 1.3: A 34 THR OG1 : rot -18:sc= 1.24 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 148:sc= 0.396 (180deg=-0.0409) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.0478 X(o=0.35,f=0.11) USER MOD Single : A 1 LYS N :NH3+ 138:sc= 0.64 (180deg=0.0277) USER MOD Single : A 1 LYS NZ :NH3+ 165:sc= -0.02 (180deg=-0.231) USER MOD Single : A 2 SER OG : rot 172:sc= 0.958 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.00257 (180deg=-0.214) USER MOD Single : A 22 GLN : amide:sc= 0.58 K(o=0.58,f=-3.2!) USER MOD Single : A 24 SER OG : rot 127:sc= 1.09 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.317 (180deg=0.133) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 0.244 (180deg=0.0189) USER MOD Single : A 38 SER OG : rot 32:sc= 1.19 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0419) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.135 USER MOD Single : A 45 THR OG1 : rot 170:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= 1.39 (180deg=0.77) USER MOD Single : A 62 SER OG : rot 156:sc= 1.23 USER MOD Single : A 67 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.95) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0161 (180deg=-0.209) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 70:sc= 1.02 USER MOD Single : A 75 GLN : amide:sc= 0.611 K(o=0.61,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.947 2.416 -1.926 1.00 0.00 N ATOM 2 CA LYS A 1 2.307 1.887 -1.719 1.00 0.00 C ATOM 3 C LYS A 1 2.505 0.598 -2.517 1.00 0.00 C ATOM 4 O LYS A 1 3.280 0.563 -3.467 1.00 0.00 O ATOM 5 CB LYS A 1 2.593 1.710 -0.219 1.00 0.00 C ATOM 6 CG LYS A 1 4.060 1.395 0.124 1.00 0.00 C ATOM 7 CD LYS A 1 4.418 -0.095 -0.004 1.00 0.00 C ATOM 8 CE LYS A 1 5.826 -0.397 0.526 1.00 0.00 C ATOM 9 NZ LYS A 1 5.950 -0.150 1.974 1.00 0.00 N ATOM 0 H1 LYS A 1 0.562 2.749 -1.019 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.981 3.208 -2.599 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.336 1.665 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 1 3.035 2.606 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.300 2.621 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 1 1.964 0.907 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.710 1.973 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.264 1.722 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.689 -0.691 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.353 -0.395 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.074 -1.437 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.551 0.218 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.818 -0.599 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.993 0.874 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.126 -0.551 2.466 1.00 0.00 H new ATOM 25 N SER A 2 1.796 -0.466 -2.141 1.00 0.00 N ATOM 26 CA SER A 2 1.908 -1.768 -2.764 1.00 0.00 C ATOM 27 C SER A 2 1.586 -1.735 -4.261 1.00 0.00 C ATOM 28 O SER A 2 2.450 -2.102 -5.051 1.00 0.00 O ATOM 29 CB SER A 2 1.067 -2.777 -1.986 1.00 0.00 C ATOM 30 OG SER A 2 -0.062 -2.165 -1.386 1.00 0.00 O ATOM 0 H SER A 2 1.117 -0.438 -1.380 1.00 0.00 H new ATOM 0 HA SER A 2 2.948 -2.090 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.738 -3.570 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.680 -3.245 -1.216 1.00 0.00 H new ATOM 0 HG SER A 2 -0.643 -2.855 -1.003 1.00 0.00 H new ATOM 36 N PRO A 3 0.394 -1.295 -4.701 1.00 0.00 N ATOM 37 CA PRO A 3 0.089 -1.248 -6.121 1.00 0.00 C ATOM 38 C PRO A 3 1.116 -0.406 -6.881 1.00 0.00 C ATOM 39 O PRO A 3 1.497 -0.764 -7.991 1.00 0.00 O ATOM 40 CB PRO A 3 -1.334 -0.694 -6.229 1.00 0.00 C ATOM 41 CG PRO A 3 -1.541 0.054 -4.916 1.00 0.00 C ATOM 42 CD PRO A 3 -0.731 -0.783 -3.930 1.00 0.00 C ATOM 0 HA PRO A 3 0.143 -2.235 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.440 -0.030 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.065 -1.493 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.178 1.080 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.594 0.103 -4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.390 -0.180 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.329 -1.596 -3.518 1.00 0.00 H new ATOM 50 N GLU A 4 1.591 0.689 -6.284 1.00 0.00 N ATOM 51 CA GLU A 4 2.595 1.544 -6.897 1.00 0.00 C ATOM 52 C GLU A 4 3.921 0.796 -7.065 1.00 0.00 C ATOM 53 O GLU A 4 4.492 0.772 -8.156 1.00 0.00 O ATOM 54 CB GLU A 4 2.774 2.819 -6.064 1.00 0.00 C ATOM 55 CG GLU A 4 1.473 3.627 -5.976 1.00 0.00 C ATOM 56 CD GLU A 4 1.642 4.833 -5.060 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.405 4.651 -3.846 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.017 5.903 -5.585 1.00 0.00 O ATOM 0 H GLU A 4 1.287 1.003 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 4 2.255 1.829 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.106 2.554 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.556 3.436 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.179 3.960 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.670 2.991 -5.602 1.00 0.00 H new ATOM 65 N GLU A 5 4.432 0.177 -5.997 1.00 0.00 N ATOM 66 CA GLU A 5 5.724 -0.489 -6.090 1.00 0.00 C ATOM 67 C GLU A 5 5.609 -1.676 -7.056 1.00 0.00 C ATOM 68 O GLU A 5 6.491 -1.909 -7.885 1.00 0.00 O ATOM 69 CB GLU A 5 6.278 -0.810 -4.691 1.00 0.00 C ATOM 70 CG GLU A 5 5.804 -2.144 -4.107 1.00 0.00 C ATOM 71 CD GLU A 5 6.176 -2.328 -2.638 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.090 -1.613 -2.175 1.00 0.00 O ATOM 73 OE2 GLU A 5 5.532 -3.191 -2.002 1.00 0.00 O ATOM 0 H GLU A 5 3.982 0.125 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 5 6.479 0.169 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.367 -0.816 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.993 -0.009 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.721 -2.214 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.234 -2.960 -4.688 1.00 0.00 H new ATOM 80 N LEU A 6 4.477 -2.387 -7.002 1.00 0.00 N ATOM 81 CA LEU A 6 4.191 -3.461 -7.938 1.00 0.00 C ATOM 82 C LEU A 6 4.014 -2.926 -9.357 1.00 0.00 C ATOM 83 O LEU A 6 4.358 -3.640 -10.291 1.00 0.00 O ATOM 84 CB LEU A 6 3.006 -4.325 -7.492 1.00 0.00 C ATOM 85 CG LEU A 6 3.434 -5.465 -6.554 1.00 0.00 C ATOM 86 CD1 LEU A 6 4.275 -5.024 -5.353 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.186 -6.175 -6.038 1.00 0.00 C ATOM 0 H LEU A 6 3.743 -2.230 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 6 5.059 -4.120 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.272 -3.698 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.515 -4.745 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 6 4.070 -6.121 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.530 -5.894 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.189 -4.546 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.705 -4.317 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.478 -6.986 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.562 -5.465 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.625 -6.581 -6.879 1.00 0.00 H new ATOM 99 N LYS A 7 3.523 -1.699 -9.560 1.00 0.00 N ATOM 100 CA LYS A 7 3.552 -1.084 -10.879 1.00 0.00 C ATOM 101 C LYS A 7 4.994 -0.985 -11.357 1.00 0.00 C ATOM 102 O LYS A 7 5.285 -1.343 -12.493 1.00 0.00 O ATOM 103 CB LYS A 7 2.895 0.298 -10.885 1.00 0.00 C ATOM 104 CG LYS A 7 2.659 0.751 -12.332 1.00 0.00 C ATOM 105 CD LYS A 7 1.931 2.097 -12.364 1.00 0.00 C ATOM 106 CE LYS A 7 1.854 2.647 -13.794 1.00 0.00 C ATOM 107 NZ LYS A 7 1.180 1.714 -14.716 1.00 0.00 N ATOM 0 H LYS A 7 3.105 -1.121 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 7 2.977 -1.714 -11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.949 0.264 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.531 1.016 -10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.613 0.835 -12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.072 0.001 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.925 1.980 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.450 2.810 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.320 3.597 -13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.861 2.850 -14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.675 2.253 -15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.888 1.099 -15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.502 1.131 -14.185 1.00 0.00 H new ATOM 121 N GLY A 8 5.896 -0.515 -10.492 1.00 0.00 N ATOM 122 CA GLY A 8 7.318 -0.471 -10.798 1.00 0.00 C ATOM 123 C GLY A 8 7.822 -1.842 -11.250 1.00 0.00 C ATOM 124 O GLY A 8 8.352 -1.983 -12.352 1.00 0.00 O ATOM 0 H GLY A 8 5.658 -0.158 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.503 0.265 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.874 -0.147 -9.918 1.00 0.00 H new ATOM 128 N ILE A 9 7.628 -2.858 -10.404 1.00 0.00 N ATOM 129 CA ILE A 9 7.994 -4.243 -10.710 1.00 0.00 C ATOM 130 C ILE A 9 7.433 -4.633 -12.083 1.00 0.00 C ATOM 131 O ILE A 9 8.180 -4.937 -13.014 1.00 0.00 O ATOM 132 CB ILE A 9 7.474 -5.162 -9.580 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.236 -4.937 -8.262 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.536 -6.648 -9.927 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.805 -5.922 -7.166 1.00 0.00 C ATOM 0 H ILE A 9 7.210 -2.741 -9.481 1.00 0.00 H new ATOM 0 HA ILE A 9 9.077 -4.353 -10.760 1.00 0.00 H new ATOM 0 HB ILE A 9 6.427 -4.883 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.306 -5.041 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.068 -3.917 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.156 -7.233 -9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.927 -6.841 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.569 -6.932 -10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.371 -5.724 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.740 -5.800 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.998 -6.942 -7.498 1.00 0.00 H new ATOM 147 N PHE A 10 6.105 -4.626 -12.185 1.00 0.00 N ATOM 148 CA PHE A 10 5.329 -4.938 -13.374 1.00 0.00 C ATOM 149 C PHE A 10 5.951 -4.286 -14.612 1.00 0.00 C ATOM 150 O PHE A 10 6.222 -4.963 -15.598 1.00 0.00 O ATOM 151 CB PHE A 10 3.882 -4.480 -13.133 1.00 0.00 C ATOM 152 CG PHE A 10 3.013 -4.423 -14.364 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.044 -3.278 -15.177 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.220 -5.520 -14.736 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.428 -3.301 -16.433 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.582 -5.531 -15.985 1.00 0.00 C ATOM 157 CZ PHE A 10 1.740 -4.447 -16.861 1.00 0.00 C ATOM 0 H PHE A 10 5.511 -4.388 -11.391 1.00 0.00 H new ATOM 0 HA PHE A 10 5.331 -6.011 -13.564 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.420 -5.155 -12.412 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.902 -3.491 -12.676 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.542 -2.383 -14.834 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.101 -6.355 -14.061 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.482 -2.434 -17.075 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.970 -6.373 -16.272 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.334 -4.494 -17.861 1.00 0.00 H new ATOM 167 N GLU A 11 6.188 -2.974 -14.547 1.00 0.00 N ATOM 168 CA GLU A 11 6.748 -2.191 -15.633 1.00 0.00 C ATOM 169 C GLU A 11 8.126 -2.730 -16.023 1.00 0.00 C ATOM 170 O GLU A 11 8.391 -2.973 -17.199 1.00 0.00 O ATOM 171 CB GLU A 11 6.803 -0.717 -15.202 1.00 0.00 C ATOM 172 CG GLU A 11 7.230 0.218 -16.339 1.00 0.00 C ATOM 173 CD GLU A 11 7.277 1.665 -15.861 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.187 2.268 -15.762 1.00 0.00 O ATOM 175 OE2 GLU A 11 8.402 2.135 -15.585 1.00 0.00 O ATOM 0 H GLU A 11 5.988 -2.420 -13.714 1.00 0.00 H new ATOM 0 HA GLU A 11 6.118 -2.268 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.822 -0.413 -14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.500 -0.612 -14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.211 -0.079 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.532 0.128 -17.172 1.00 0.00 H new ATOM 182 N LYS A 12 9.013 -2.916 -15.042 1.00 0.00 N ATOM 183 CA LYS A 12 10.356 -3.416 -15.306 1.00 0.00 C ATOM 184 C LYS A 12 10.320 -4.807 -15.946 1.00 0.00 C ATOM 185 O LYS A 12 11.101 -5.077 -16.857 1.00 0.00 O ATOM 186 CB LYS A 12 11.200 -3.396 -14.027 1.00 0.00 C ATOM 187 CG LYS A 12 11.484 -1.971 -13.524 1.00 0.00 C ATOM 188 CD LYS A 12 12.260 -1.071 -14.499 1.00 0.00 C ATOM 189 CE LYS A 12 13.564 -1.710 -14.992 1.00 0.00 C ATOM 190 NZ LYS A 12 14.349 -0.763 -15.802 1.00 0.00 N ATOM 0 H LYS A 12 8.821 -2.726 -14.058 1.00 0.00 H new ATOM 0 HA LYS A 12 10.831 -2.751 -16.027 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.683 -3.956 -13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.145 -3.906 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.534 -1.490 -13.290 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.046 -2.038 -12.592 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.627 -0.842 -15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.488 -0.124 -14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.156 -2.040 -14.138 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.336 -2.597 -15.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.225 -1.223 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.791 -0.468 -16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.585 0.072 -15.228 1.00 0.00 H new ATOM 204 N TYR A 13 9.428 -5.690 -15.492 1.00 0.00 N ATOM 205 CA TYR A 13 9.208 -6.964 -16.170 1.00 0.00 C ATOM 206 C TYR A 13 8.707 -6.767 -17.600 1.00 0.00 C ATOM 207 O TYR A 13 9.365 -7.194 -18.546 1.00 0.00 O ATOM 208 CB TYR A 13 8.272 -7.846 -15.349 1.00 0.00 C ATOM 209 CG TYR A 13 9.015 -8.583 -14.262 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.760 -9.729 -14.584 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.972 -8.132 -12.935 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.461 -10.414 -13.582 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.728 -8.779 -11.948 1.00 0.00 C ATOM 214 CZ TYR A 13 10.482 -9.914 -12.271 1.00 0.00 C ATOM 215 OH TYR A 13 11.170 -10.568 -11.297 1.00 0.00 O ATOM 0 H TYR A 13 8.851 -5.546 -14.663 1.00 0.00 H new ATOM 0 HA TYR A 13 10.166 -7.477 -16.251 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.490 -7.232 -14.904 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.779 -8.564 -16.005 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.793 -10.083 -15.604 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.355 -7.285 -12.673 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.986 -11.328 -13.819 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.729 -8.401 -10.936 1.00 0.00 H new ATOM 0 HH TYR A 13 10.858 -10.267 -10.418 1.00 0.00 H new ATOM 225 N ALA A 14 7.549 -6.128 -17.759 1.00 0.00 N ATOM 226 CA ALA A 14 6.944 -5.806 -19.044 1.00 0.00 C ATOM 227 C ALA A 14 7.988 -5.333 -20.055 1.00 0.00 C ATOM 228 O ALA A 14 8.114 -5.906 -21.136 1.00 0.00 O ATOM 229 CB ALA A 14 5.876 -4.733 -18.841 1.00 0.00 C ATOM 0 H ALA A 14 6.989 -5.811 -16.967 1.00 0.00 H new ATOM 0 HA ALA A 14 6.488 -6.710 -19.448 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.420 -4.488 -19.800 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.111 -5.105 -18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.334 -3.839 -18.418 1.00 0.00 H new ATOM 235 N ALA A 15 8.767 -4.319 -19.668 1.00 0.00 N ATOM 236 CA ALA A 15 9.811 -3.718 -20.485 1.00 0.00 C ATOM 237 C ALA A 15 10.761 -4.741 -21.121 1.00 0.00 C ATOM 238 O ALA A 15 11.296 -4.480 -22.197 1.00 0.00 O ATOM 239 CB ALA A 15 10.594 -2.706 -19.645 1.00 0.00 C ATOM 0 H ALA A 15 8.682 -3.885 -18.749 1.00 0.00 H new ATOM 0 HA ALA A 15 9.316 -3.217 -21.317 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.376 -2.255 -20.255 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.918 -1.929 -19.288 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.046 -3.213 -18.792 1.00 0.00 H new ATOM 245 N LYS A 16 10.979 -5.907 -20.498 1.00 0.00 N ATOM 246 CA LYS A 16 11.833 -6.939 -21.077 1.00 0.00 C ATOM 247 C LYS A 16 11.289 -7.406 -22.434 1.00 0.00 C ATOM 248 O LYS A 16 12.062 -7.782 -23.311 1.00 0.00 O ATOM 249 CB LYS A 16 12.005 -8.111 -20.101 1.00 0.00 C ATOM 250 CG LYS A 16 12.651 -7.640 -18.790 1.00 0.00 C ATOM 251 CD LYS A 16 12.852 -8.809 -17.819 1.00 0.00 C ATOM 252 CE LYS A 16 13.595 -8.361 -16.553 1.00 0.00 C ATOM 253 NZ LYS A 16 12.803 -7.411 -15.749 1.00 0.00 N ATOM 0 H LYS A 16 10.574 -6.154 -19.595 1.00 0.00 H new ATOM 0 HA LYS A 16 12.819 -6.509 -21.254 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.035 -8.561 -19.892 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.623 -8.883 -20.559 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.612 -7.172 -19.003 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.023 -6.881 -18.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.884 -9.228 -17.546 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.415 -9.602 -18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.836 -9.234 -15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.540 -7.897 -16.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.401 -7.007 -15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.451 -6.647 -16.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.998 -7.908 -15.318 1.00 0.00 H new ATOM 267 N GLU A 17 9.968 -7.341 -22.624 1.00 0.00 N ATOM 268 CA GLU A 17 9.310 -7.638 -23.888 1.00 0.00 C ATOM 269 C GLU A 17 9.215 -6.402 -24.791 1.00 0.00 C ATOM 270 O GLU A 17 8.411 -6.394 -25.723 1.00 0.00 O ATOM 271 CB GLU A 17 7.899 -8.175 -23.614 1.00 0.00 C ATOM 272 CG GLU A 17 7.890 -9.313 -22.590 1.00 0.00 C ATOM 273 CD GLU A 17 6.545 -10.024 -22.603 1.00 0.00 C ATOM 274 OE1 GLU A 17 6.388 -10.916 -23.467 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.683 -9.662 -21.774 1.00 0.00 O ATOM 0 H GLU A 17 9.318 -7.074 -21.885 1.00 0.00 H new ATOM 0 HA GLU A 17 9.910 -8.386 -24.407 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.269 -7.362 -23.254 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.461 -8.528 -24.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.686 -10.022 -22.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.090 -8.917 -21.594 1.00 0.00 H new ATOM 282 N GLY A 18 9.958 -5.327 -24.512 1.00 0.00 N ATOM 283 CA GLY A 18 9.852 -4.079 -25.253 1.00 0.00 C ATOM 284 C GLY A 18 8.615 -3.289 -24.823 1.00 0.00 C ATOM 285 O GLY A 18 8.725 -2.126 -24.444 1.00 0.00 O ATOM 0 H GLY A 18 10.650 -5.304 -23.763 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.747 -3.478 -25.090 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.800 -4.290 -26.321 1.00 0.00 H new ATOM 289 N ASP A 19 7.435 -3.917 -24.884 1.00 0.00 N ATOM 290 CA ASP A 19 6.180 -3.335 -24.420 1.00 0.00 C ATOM 291 C ASP A 19 6.369 -2.771 -23.005 1.00 0.00 C ATOM 292 O ASP A 19 6.687 -3.529 -22.095 1.00 0.00 O ATOM 293 CB ASP A 19 5.075 -4.405 -24.433 1.00 0.00 C ATOM 294 CG ASP A 19 3.689 -3.823 -24.148 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.582 -2.981 -23.227 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.750 -4.231 -24.863 1.00 0.00 O ATOM 0 H ASP A 19 7.329 -4.858 -25.264 1.00 0.00 H new ATOM 0 HA ASP A 19 5.884 -2.523 -25.085 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.065 -4.899 -25.404 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.305 -5.168 -23.689 1.00 0.00 H new ATOM 301 N PRO A 20 6.171 -1.464 -22.782 1.00 0.00 N ATOM 302 CA PRO A 20 6.463 -0.849 -21.500 1.00 0.00 C ATOM 303 C PRO A 20 5.461 -1.250 -20.415 1.00 0.00 C ATOM 304 O PRO A 20 5.762 -1.087 -19.236 1.00 0.00 O ATOM 305 CB PRO A 20 6.405 0.658 -21.762 1.00 0.00 C ATOM 306 CG PRO A 20 5.380 0.768 -22.890 1.00 0.00 C ATOM 307 CD PRO A 20 5.694 -0.471 -23.732 1.00 0.00 C ATOM 0 HA PRO A 20 7.434 -1.173 -21.125 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.092 1.211 -20.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.376 1.054 -22.058 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.357 0.756 -22.514 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.499 1.689 -23.460 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.808 -0.824 -24.260 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.449 -0.253 -24.487 1.00 0.00 H new ATOM 315 N ASN A 21 4.261 -1.720 -20.783 1.00 0.00 N ATOM 316 CA ASN A 21 3.179 -1.897 -19.825 1.00 0.00 C ATOM 317 C ASN A 21 2.278 -3.068 -20.226 1.00 0.00 C ATOM 318 O ASN A 21 1.058 -2.925 -20.312 1.00 0.00 O ATOM 319 CB ASN A 21 2.429 -0.555 -19.696 1.00 0.00 C ATOM 320 CG ASN A 21 1.431 -0.471 -18.537 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.723 0.090 -17.485 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.222 -0.988 -18.719 1.00 0.00 N ATOM 0 H ASN A 21 4.022 -1.982 -21.739 1.00 0.00 H new ATOM 0 HA ASN A 21 3.569 -2.163 -18.842 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.163 0.243 -19.580 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.896 -0.365 -20.627 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.478 -0.922 -17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.007 -1.452 -19.598 1.00 0.00 H new ATOM 329 N GLN A 22 2.864 -4.249 -20.443 1.00 0.00 N ATOM 330 CA GLN A 22 2.107 -5.473 -20.641 1.00 0.00 C ATOM 331 C GLN A 22 2.972 -6.713 -20.414 1.00 0.00 C ATOM 332 O GLN A 22 4.145 -6.709 -20.780 1.00 0.00 O ATOM 333 CB GLN A 22 1.432 -5.463 -22.022 1.00 0.00 C ATOM 334 CG GLN A 22 -0.048 -5.796 -21.847 1.00 0.00 C ATOM 335 CD GLN A 22 -0.901 -5.452 -23.063 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.004 -4.936 -22.920 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.411 -5.697 -24.270 1.00 0.00 N ATOM 0 H GLN A 22 3.875 -4.376 -20.485 1.00 0.00 H new ATOM 0 HA GLN A 22 1.316 -5.519 -19.892 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.546 -4.486 -22.491 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.908 -6.190 -22.680 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.149 -6.860 -21.632 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.432 -5.258 -20.980 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.509 -6.127 -24.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.954 -5.456 -25.099 1.00 0.00 H new ATOM 346 N LEU A 23 2.396 -7.750 -19.790 1.00 0.00 N ATOM 347 CA LEU A 23 3.066 -9.001 -19.447 1.00 0.00 C ATOM 348 C LEU A 23 2.441 -10.169 -20.220 1.00 0.00 C ATOM 349 O LEU A 23 1.333 -10.595 -19.895 1.00 0.00 O ATOM 350 CB LEU A 23 2.904 -9.294 -17.945 1.00 0.00 C ATOM 351 CG LEU A 23 3.448 -8.233 -16.982 1.00 0.00 C ATOM 352 CD1 LEU A 23 3.017 -8.608 -15.568 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.965 -8.152 -16.951 1.00 0.00 C ATOM 0 H LEU A 23 1.417 -7.735 -19.503 1.00 0.00 H new ATOM 0 HA LEU A 23 4.120 -8.898 -19.704 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.843 -9.433 -17.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.399 -10.240 -17.726 1.00 0.00 H new ATOM 0 HG LEU A 23 3.058 -7.276 -17.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.393 -7.866 -14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.929 -8.639 -15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.420 -9.588 -15.312 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.274 -7.379 -16.247 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.374 -9.112 -16.638 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.337 -7.906 -17.946 1.00 0.00 H new ATOM 365 N SER A 24 3.132 -10.730 -21.213 1.00 0.00 N ATOM 366 CA SER A 24 2.704 -11.987 -21.826 1.00 0.00 C ATOM 367 C SER A 24 2.751 -13.111 -20.788 1.00 0.00 C ATOM 368 O SER A 24 3.478 -12.985 -19.808 1.00 0.00 O ATOM 369 CB SER A 24 3.611 -12.308 -23.014 1.00 0.00 C ATOM 370 OG SER A 24 3.724 -11.168 -23.840 1.00 0.00 O ATOM 0 H SER A 24 3.986 -10.336 -21.608 1.00 0.00 H new ATOM 0 HA SER A 24 1.679 -11.892 -22.184 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.596 -12.614 -22.661 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.202 -13.143 -23.582 1.00 0.00 H new ATOM 0 HG SER A 24 4.671 -10.966 -23.992 1.00 0.00 H new ATOM 376 N LYS A 25 2.028 -14.219 -21.001 1.00 0.00 N ATOM 377 CA LYS A 25 2.030 -15.395 -20.127 1.00 0.00 C ATOM 378 C LYS A 25 3.414 -15.731 -19.580 1.00 0.00 C ATOM 379 O LYS A 25 3.554 -15.970 -18.385 1.00 0.00 O ATOM 380 CB LYS A 25 1.471 -16.615 -20.866 1.00 0.00 C ATOM 381 CG LYS A 25 -0.029 -16.509 -21.158 1.00 0.00 C ATOM 382 CD LYS A 25 -0.530 -17.767 -21.880 1.00 0.00 C ATOM 383 CE LYS A 25 -2.060 -17.781 -21.999 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.566 -16.640 -22.783 1.00 0.00 N ATOM 0 H LYS A 25 1.411 -14.323 -21.807 1.00 0.00 H new ATOM 0 HA LYS A 25 1.393 -15.143 -19.279 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.009 -16.741 -21.805 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.656 -17.509 -20.270 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.578 -16.376 -20.226 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.224 -15.629 -21.771 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.087 -17.817 -22.875 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.199 -18.653 -21.339 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.378 -18.712 -22.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.501 -17.759 -21.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.511 -16.866 -23.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.625 -15.799 -22.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.919 -16.449 -23.575 1.00 0.00 H new ATOM 398 N GLU A 26 4.433 -15.745 -20.437 1.00 0.00 N ATOM 399 CA GLU A 26 5.794 -16.027 -20.006 1.00 0.00 C ATOM 400 C GLU A 26 6.283 -14.993 -18.989 1.00 0.00 C ATOM 401 O GLU A 26 6.887 -15.349 -17.979 1.00 0.00 O ATOM 402 CB GLU A 26 6.724 -16.093 -21.224 1.00 0.00 C ATOM 403 CG GLU A 26 6.313 -17.225 -22.175 1.00 0.00 C ATOM 404 CD GLU A 26 7.263 -17.313 -23.364 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.090 -16.485 -24.284 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.145 -18.197 -23.326 1.00 0.00 O ATOM 0 H GLU A 26 4.338 -15.563 -21.436 1.00 0.00 H new ATOM 0 HA GLU A 26 5.805 -16.996 -19.507 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.700 -15.141 -21.755 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.751 -16.247 -20.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.309 -18.173 -21.637 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.296 -17.056 -22.529 1.00 0.00 H new ATOM 413 N GLU A 27 6.018 -13.711 -19.246 1.00 0.00 N ATOM 414 CA GLU A 27 6.442 -12.642 -18.359 1.00 0.00 C ATOM 415 C GLU A 27 5.645 -12.735 -17.054 1.00 0.00 C ATOM 416 O GLU A 27 6.216 -12.612 -15.970 1.00 0.00 O ATOM 417 CB GLU A 27 6.288 -11.288 -19.072 1.00 0.00 C ATOM 418 CG GLU A 27 7.284 -10.225 -18.571 1.00 0.00 C ATOM 419 CD GLU A 27 8.728 -10.538 -18.956 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.938 -10.972 -20.110 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.600 -10.348 -18.083 1.00 0.00 O ATOM 0 H GLU A 27 5.507 -13.393 -20.070 1.00 0.00 H new ATOM 0 HA GLU A 27 7.497 -12.739 -18.102 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.426 -11.431 -20.144 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.272 -10.922 -18.928 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.007 -9.253 -18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.211 -10.148 -17.486 1.00 0.00 H new ATOM 428 N LEU A 28 4.332 -12.994 -17.155 1.00 0.00 N ATOM 429 CA LEU A 28 3.487 -13.166 -15.983 1.00 0.00 C ATOM 430 C LEU A 28 4.005 -14.331 -15.138 1.00 0.00 C ATOM 431 O LEU A 28 4.158 -14.206 -13.926 1.00 0.00 O ATOM 432 CB LEU A 28 2.004 -13.338 -16.344 1.00 0.00 C ATOM 433 CG LEU A 28 1.137 -13.112 -15.087 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.802 -11.630 -14.888 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.168 -13.909 -15.100 1.00 0.00 C ATOM 0 H LEU A 28 3.840 -13.087 -18.043 1.00 0.00 H new ATOM 0 HA LEU A 28 3.543 -12.252 -15.392 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.724 -12.629 -17.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.830 -14.337 -16.744 1.00 0.00 H new ATOM 0 HG LEU A 28 1.747 -13.470 -14.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.191 -11.512 -13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.724 -11.060 -14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.252 -11.262 -15.754 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.729 -13.704 -14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.763 -13.618 -15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.057 -14.974 -15.156 1.00 0.00 H new ATOM 447 N LYS A 29 4.301 -15.470 -15.763 1.00 0.00 N ATOM 448 CA LYS A 29 4.892 -16.582 -15.051 1.00 0.00 C ATOM 449 C LYS A 29 6.188 -16.135 -14.384 1.00 0.00 C ATOM 450 O LYS A 29 6.359 -16.354 -13.188 1.00 0.00 O ATOM 451 CB LYS A 29 5.089 -17.751 -16.023 1.00 0.00 C ATOM 452 CG LYS A 29 5.583 -19.019 -15.316 1.00 0.00 C ATOM 453 CD LYS A 29 5.381 -20.236 -16.228 1.00 0.00 C ATOM 454 CE LYS A 29 3.958 -20.795 -16.095 1.00 0.00 C ATOM 455 NZ LYS A 29 3.723 -21.930 -17.002 1.00 0.00 N ATOM 0 H LYS A 29 4.139 -15.638 -16.756 1.00 0.00 H new ATOM 0 HA LYS A 29 4.233 -16.928 -14.255 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.147 -17.963 -16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.806 -17.464 -16.792 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.638 -18.916 -15.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.040 -19.160 -14.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.569 -19.953 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.105 -21.010 -15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.788 -21.112 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.237 -20.006 -16.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.843 -22.414 -16.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.641 -21.583 -17.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.519 -22.597 -16.937 1.00 0.00 H new ATOM 469 N LEU A 30 7.082 -15.488 -15.137 1.00 0.00 N ATOM 470 CA LEU A 30 8.370 -15.051 -14.624 1.00 0.00 C ATOM 471 C LEU A 30 8.216 -14.215 -13.350 1.00 0.00 C ATOM 472 O LEU A 30 8.790 -14.570 -12.319 1.00 0.00 O ATOM 473 CB LEU A 30 9.160 -14.311 -15.716 1.00 0.00 C ATOM 474 CG LEU A 30 10.605 -13.983 -15.304 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.468 -15.243 -15.166 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.236 -13.067 -16.360 1.00 0.00 C ATOM 0 H LEU A 30 6.927 -15.256 -16.118 1.00 0.00 H new ATOM 0 HA LEU A 30 8.944 -15.934 -14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.177 -14.921 -16.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.642 -13.385 -15.966 1.00 0.00 H new ATOM 0 HG LEU A 30 10.566 -13.492 -14.332 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.480 -14.961 -14.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.039 -15.896 -14.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.499 -15.769 -16.120 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.261 -12.832 -16.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.237 -13.572 -17.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.659 -12.145 -16.434 1.00 0.00 H new ATOM 488 N LEU A 31 7.465 -13.110 -13.380 1.00 0.00 N ATOM 489 CA LEU A 31 7.374 -12.273 -12.185 1.00 0.00 C ATOM 490 C LEU A 31 6.514 -12.906 -11.093 1.00 0.00 C ATOM 491 O LEU A 31 6.836 -12.737 -9.925 1.00 0.00 O ATOM 492 CB LEU A 31 7.053 -10.797 -12.467 1.00 0.00 C ATOM 493 CG LEU A 31 5.584 -10.381 -12.485 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.448 -8.875 -12.719 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.909 -11.096 -13.633 1.00 0.00 C ATOM 0 H LEU A 31 6.931 -12.785 -14.186 1.00 0.00 H new ATOM 0 HA LEU A 31 8.384 -12.235 -11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.563 -10.193 -11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.487 -10.538 -13.433 1.00 0.00 H new ATOM 0 HG LEU A 31 5.130 -10.635 -11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.393 -8.602 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.956 -8.335 -11.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.898 -8.613 -13.676 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.856 -10.815 -13.668 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.391 -10.816 -14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.993 -12.173 -13.490 1.00 0.00 H new ATOM 507 N LEU A 32 5.455 -13.660 -11.409 1.00 0.00 N ATOM 508 CA LEU A 32 4.717 -14.333 -10.340 1.00 0.00 C ATOM 509 C LEU A 32 5.631 -15.337 -9.649 1.00 0.00 C ATOM 510 O LEU A 32 5.622 -15.431 -8.427 1.00 0.00 O ATOM 511 CB LEU A 32 3.392 -14.939 -10.831 1.00 0.00 C ATOM 512 CG LEU A 32 2.233 -13.935 -10.749 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.594 -12.557 -11.310 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.033 -14.487 -11.516 1.00 0.00 C ATOM 0 H LEU A 32 5.103 -13.815 -12.354 1.00 0.00 H new ATOM 0 HA LEU A 32 4.415 -13.595 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.507 -15.276 -11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.152 -15.818 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 32 1.998 -13.803 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.734 -11.892 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.431 -12.143 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.874 -12.653 -12.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.208 -13.777 -11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.308 -14.642 -12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.726 -15.436 -11.077 1.00 0.00 H new ATOM 526 N GLN A 33 6.476 -16.034 -10.402 1.00 0.00 N ATOM 527 CA GLN A 33 7.504 -16.887 -9.833 1.00 0.00 C ATOM 528 C GLN A 33 8.487 -16.084 -8.981 1.00 0.00 C ATOM 529 O GLN A 33 8.759 -16.471 -7.850 1.00 0.00 O ATOM 530 CB GLN A 33 8.151 -17.674 -10.982 1.00 0.00 C ATOM 531 CG GLN A 33 9.501 -18.354 -10.698 1.00 0.00 C ATOM 532 CD GLN A 33 10.705 -17.410 -10.726 1.00 0.00 C ATOM 533 OE1 GLN A 33 10.675 -16.364 -11.548 1.00 0.00 O flip ATOM 534 NE2 GLN A 33 11.661 -17.612 -9.987 1.00 0.00 N flip ATOM 0 H GLN A 33 6.464 -16.021 -11.422 1.00 0.00 H new ATOM 0 HA GLN A 33 7.077 -17.607 -9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.447 -18.442 -11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.286 -16.994 -11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.454 -18.833 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.657 -19.144 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.663 -18.420 -9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.455 -16.972 -9.994 1.00 0.00 H new ATOM 543 N THR A 34 9.039 -14.991 -9.509 1.00 0.00 N ATOM 544 CA THR A 34 10.113 -14.297 -8.804 1.00 0.00 C ATOM 545 C THR A 34 9.562 -13.643 -7.536 1.00 0.00 C ATOM 546 O THR A 34 10.147 -13.742 -6.461 1.00 0.00 O ATOM 547 CB THR A 34 10.794 -13.257 -9.710 1.00 0.00 C ATOM 548 OG1 THR A 34 11.100 -13.796 -10.978 1.00 0.00 O ATOM 549 CG2 THR A 34 12.105 -12.775 -9.078 1.00 0.00 C ATOM 0 H THR A 34 8.768 -14.576 -10.401 1.00 0.00 H new ATOM 0 HA THR A 34 10.872 -15.027 -8.522 1.00 0.00 H new ATOM 0 HB THR A 34 10.094 -12.430 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.090 -14.775 -10.928 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.575 -12.040 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.896 -12.320 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.777 -13.622 -8.943 1.00 0.00 H new ATOM 557 N GLU A 35 8.439 -12.940 -7.690 1.00 0.00 N ATOM 558 CA GLU A 35 7.863 -12.087 -6.671 1.00 0.00 C ATOM 559 C GLU A 35 6.907 -12.867 -5.761 1.00 0.00 C ATOM 560 O GLU A 35 6.892 -12.622 -4.556 1.00 0.00 O ATOM 561 CB GLU A 35 7.178 -10.881 -7.337 1.00 0.00 C ATOM 562 CG GLU A 35 8.036 -10.182 -8.408 1.00 0.00 C ATOM 563 CD GLU A 35 9.424 -9.760 -7.936 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.519 -9.265 -6.793 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.363 -9.921 -8.749 1.00 0.00 O ATOM 0 H GLU A 35 7.897 -12.954 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 35 8.659 -11.715 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.246 -11.213 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.915 -10.155 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.145 -10.852 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.503 -9.299 -8.762 1.00 0.00 H new ATOM 572 N PHE A 36 6.100 -13.789 -6.311 1.00 0.00 N ATOM 573 CA PHE A 36 5.034 -14.469 -5.571 1.00 0.00 C ATOM 574 C PHE A 36 5.119 -16.004 -5.682 1.00 0.00 C ATOM 575 O PHE A 36 4.142 -16.627 -6.118 1.00 0.00 O ATOM 576 CB PHE A 36 3.688 -13.960 -6.115 1.00 0.00 C ATOM 577 CG PHE A 36 3.542 -12.446 -6.193 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.930 -11.631 -5.112 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.081 -11.845 -7.379 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.951 -10.233 -5.253 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.078 -10.446 -7.512 1.00 0.00 C ATOM 582 CZ PHE A 36 3.549 -9.642 -6.463 1.00 0.00 C ATOM 0 H PHE A 36 6.172 -14.082 -7.285 1.00 0.00 H new ATOM 0 HA PHE A 36 5.139 -14.240 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.539 -14.374 -7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.890 -14.352 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.212 -12.082 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.728 -12.462 -8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.276 -9.612 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.714 -9.990 -8.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.603 -8.570 -6.585 1.00 0.00 H new ATOM 592 N PRO A 37 6.238 -16.632 -5.268 1.00 0.00 N ATOM 593 CA PRO A 37 6.478 -18.070 -5.396 1.00 0.00 C ATOM 594 C PRO A 37 5.565 -18.882 -4.466 1.00 0.00 C ATOM 595 O PRO A 37 6.008 -19.444 -3.469 1.00 0.00 O ATOM 596 CB PRO A 37 7.965 -18.265 -5.069 1.00 0.00 C ATOM 597 CG PRO A 37 8.257 -17.116 -4.106 1.00 0.00 C ATOM 598 CD PRO A 37 7.402 -15.986 -4.677 1.00 0.00 C ATOM 0 HA PRO A 37 6.246 -18.431 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.154 -19.235 -4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.586 -18.210 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.975 -17.362 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.316 -16.857 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.106 -15.286 -3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.955 -15.416 -5.424 1.00 0.00 H new ATOM 606 N SER A 38 4.280 -18.934 -4.818 1.00 0.00 N ATOM 607 CA SER A 38 3.171 -19.587 -4.130 1.00 0.00 C ATOM 608 C SER A 38 1.883 -19.395 -4.938 1.00 0.00 C ATOM 609 O SER A 38 1.033 -20.280 -4.953 1.00 0.00 O ATOM 610 CB SER A 38 2.960 -19.012 -2.721 1.00 0.00 C ATOM 611 OG SER A 38 3.891 -19.531 -1.793 1.00 0.00 O ATOM 0 H SER A 38 3.962 -18.476 -5.672 1.00 0.00 H new ATOM 0 HA SER A 38 3.414 -20.646 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.049 -17.926 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.948 -19.238 -2.385 1.00 0.00 H new ATOM 0 HG SER A 38 4.736 -19.725 -2.251 1.00 0.00 H new ATOM 617 N LEU A 39 1.709 -18.234 -5.587 1.00 0.00 N ATOM 618 CA LEU A 39 0.426 -17.894 -6.200 1.00 0.00 C ATOM 619 C LEU A 39 0.153 -18.809 -7.397 1.00 0.00 C ATOM 620 O LEU A 39 -0.960 -19.286 -7.607 1.00 0.00 O ATOM 621 CB LEU A 39 0.443 -16.415 -6.608 1.00 0.00 C ATOM 622 CG LEU A 39 -0.906 -15.909 -7.144 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.989 -15.884 -6.058 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.713 -14.493 -7.687 1.00 0.00 C ATOM 0 H LEU A 39 2.434 -17.525 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.382 -18.046 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.731 -15.812 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.207 -16.266 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.238 -16.592 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.924 -15.520 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.136 -16.891 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.678 -15.224 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.662 -14.118 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.363 -13.841 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.024 -14.509 -8.490 1.00 0.00 H new ATOM 636 N LEU A 40 1.202 -19.040 -8.185 1.00 0.00 N ATOM 637 CA LEU A 40 1.232 -19.895 -9.359 1.00 0.00 C ATOM 638 C LEU A 40 1.086 -21.381 -9.001 1.00 0.00 C ATOM 639 O LEU A 40 1.999 -22.179 -9.208 1.00 0.00 O ATOM 640 CB LEU A 40 2.511 -19.571 -10.143 1.00 0.00 C ATOM 641 CG LEU A 40 3.862 -19.991 -9.518 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.923 -19.007 -10.000 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.979 -20.010 -7.985 1.00 0.00 C ATOM 0 H LEU A 40 2.107 -18.606 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 40 0.371 -19.693 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.433 -20.043 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.539 -18.494 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 40 3.979 -21.027 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.890 -19.277 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.983 -19.040 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.656 -17.999 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.983 -20.324 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.787 -19.011 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.250 -20.708 -7.573 1.00 0.00 H new ATOM 655 N LYS A 41 -0.072 -21.755 -8.455 1.00 0.00 N ATOM 656 CA LYS A 41 -0.380 -23.109 -8.011 1.00 0.00 C ATOM 657 C LYS A 41 -0.430 -24.097 -9.191 1.00 0.00 C ATOM 658 O LYS A 41 -1.498 -24.495 -9.654 1.00 0.00 O ATOM 659 CB LYS A 41 -1.650 -23.105 -7.142 1.00 0.00 C ATOM 660 CG LYS A 41 -2.850 -22.373 -7.765 1.00 0.00 C ATOM 661 CD LYS A 41 -4.108 -22.620 -6.923 1.00 0.00 C ATOM 662 CE LYS A 41 -5.304 -21.809 -7.437 1.00 0.00 C ATOM 663 NZ LYS A 41 -5.678 -22.183 -8.812 1.00 0.00 N ATOM 0 H LYS A 41 -0.842 -21.103 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 41 0.429 -23.472 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.937 -24.136 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.417 -22.642 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.645 -21.304 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.010 -22.722 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.354 -23.682 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.908 -22.355 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.157 -21.963 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.062 -20.747 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.541 -21.672 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.905 -21.934 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.852 -23.207 -8.858 1.00 0.00 H new ATOM 677 N GLY A 42 0.751 -24.496 -9.666 1.00 0.00 N ATOM 678 CA GLY A 42 0.944 -25.335 -10.833 1.00 0.00 C ATOM 679 C GLY A 42 1.284 -24.455 -12.034 1.00 0.00 C ATOM 680 O GLY A 42 0.645 -23.430 -12.263 1.00 0.00 O ATOM 0 H GLY A 42 1.631 -24.228 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.746 -26.050 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.041 -25.912 -11.034 1.00 0.00 H new ATOM 684 N MET A 43 2.311 -24.844 -12.795 1.00 0.00 N ATOM 685 CA MET A 43 2.767 -24.085 -13.950 1.00 0.00 C ATOM 686 C MET A 43 1.651 -24.000 -14.991 1.00 0.00 C ATOM 687 O MET A 43 1.257 -22.908 -15.402 1.00 0.00 O ATOM 688 CB MET A 43 4.032 -24.733 -14.528 1.00 0.00 C ATOM 689 CG MET A 43 5.222 -24.604 -13.569 1.00 0.00 C ATOM 690 SD MET A 43 6.773 -25.273 -14.220 1.00 0.00 S ATOM 691 CE MET A 43 7.873 -24.921 -12.831 1.00 0.00 C ATOM 0 H MET A 43 2.846 -25.695 -12.623 1.00 0.00 H new ATOM 0 HA MET A 43 3.018 -23.068 -13.648 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.841 -25.787 -14.732 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.279 -24.264 -15.480 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.367 -23.551 -13.326 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.981 -25.116 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.878 -25.271 -13.065 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.896 -23.847 -12.648 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.509 -25.433 -11.940 1.00 0.00 H new ATOM 701 N SER A 44 1.130 -25.159 -15.405 1.00 0.00 N ATOM 702 CA SER A 44 0.043 -25.290 -16.358 1.00 0.00 C ATOM 703 C SER A 44 -1.120 -24.361 -16.004 1.00 0.00 C ATOM 704 O SER A 44 -1.630 -23.643 -16.863 1.00 0.00 O ATOM 705 CB SER A 44 -0.396 -26.758 -16.373 1.00 0.00 C ATOM 706 OG SER A 44 0.750 -27.581 -16.220 1.00 0.00 O ATOM 0 H SER A 44 1.472 -26.059 -15.069 1.00 0.00 H new ATOM 0 HA SER A 44 0.380 -24.995 -17.352 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.106 -26.947 -15.568 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.905 -26.990 -17.309 1.00 0.00 H new ATOM 0 HG SER A 44 0.480 -28.523 -16.227 1.00 0.00 H new ATOM 712 N THR A 45 -1.496 -24.351 -14.721 1.00 0.00 N ATOM 713 CA THR A 45 -2.560 -23.541 -14.154 1.00 0.00 C ATOM 714 C THR A 45 -2.457 -22.065 -14.548 1.00 0.00 C ATOM 715 O THR A 45 -3.475 -21.371 -14.589 1.00 0.00 O ATOM 716 CB THR A 45 -2.526 -23.705 -12.627 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.074 -25.007 -12.301 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.911 -23.490 -12.013 1.00 0.00 C ATOM 0 H THR A 45 -1.040 -24.938 -14.023 1.00 0.00 H new ATOM 0 HA THR A 45 -3.512 -23.888 -14.555 1.00 0.00 H new ATOM 0 HB THR A 45 -1.847 -22.955 -12.222 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.899 -25.061 -11.338 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.853 -23.613 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.260 -22.484 -12.245 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.609 -24.220 -12.424 1.00 0.00 H new ATOM 726 N LEU A 46 -1.245 -21.571 -14.842 1.00 0.00 N ATOM 727 CA LEU A 46 -1.072 -20.193 -15.269 1.00 0.00 C ATOM 728 C LEU A 46 -1.908 -19.912 -16.508 1.00 0.00 C ATOM 729 O LEU A 46 -2.416 -18.809 -16.641 1.00 0.00 O ATOM 730 CB LEU A 46 0.399 -19.838 -15.511 1.00 0.00 C ATOM 731 CG LEU A 46 0.568 -18.326 -15.793 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.611 -17.737 -14.841 1.00 0.00 C ATOM 733 CD2 LEU A 46 0.939 -18.054 -17.256 1.00 0.00 C ATOM 0 H LEU A 46 -0.380 -22.110 -14.789 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.421 -19.556 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.992 -20.117 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.781 -20.413 -16.354 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.390 -17.838 -15.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.727 -16.672 -15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.284 -17.878 -13.811 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.566 -18.241 -14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.048 -16.980 -17.410 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.880 -18.552 -17.491 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.153 -18.436 -17.908 1.00 0.00 H new ATOM 745 N ASP A 47 -2.083 -20.879 -17.410 1.00 0.00 N ATOM 746 CA ASP A 47 -2.917 -20.666 -18.583 1.00 0.00 C ATOM 747 C ASP A 47 -4.322 -20.212 -18.168 1.00 0.00 C ATOM 748 O ASP A 47 -4.802 -19.165 -18.602 1.00 0.00 O ATOM 749 CB ASP A 47 -2.962 -21.949 -19.412 1.00 0.00 C ATOM 750 CG ASP A 47 -3.867 -21.772 -20.625 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.372 -21.198 -21.619 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.040 -22.192 -20.526 1.00 0.00 O ATOM 0 H ASP A 47 -1.662 -21.806 -17.348 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.489 -19.873 -19.197 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.956 -22.214 -19.738 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.325 -22.773 -18.798 1.00 0.00 H new ATOM 757 N GLU A 48 -4.964 -20.996 -17.302 1.00 0.00 N ATOM 758 CA GLU A 48 -6.319 -20.740 -16.843 1.00 0.00 C ATOM 759 C GLU A 48 -6.350 -19.452 -16.021 1.00 0.00 C ATOM 760 O GLU A 48 -7.167 -18.567 -16.274 1.00 0.00 O ATOM 761 CB GLU A 48 -6.843 -21.933 -16.027 1.00 0.00 C ATOM 762 CG GLU A 48 -7.058 -23.203 -16.873 1.00 0.00 C ATOM 763 CD GLU A 48 -5.773 -23.888 -17.338 1.00 0.00 C ATOM 764 OE1 GLU A 48 -4.730 -23.664 -16.687 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.859 -24.635 -18.336 1.00 0.00 O ATOM 0 H GLU A 48 -4.548 -21.835 -16.898 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.974 -20.615 -17.706 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.138 -22.154 -15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.785 -21.655 -15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.643 -23.915 -16.291 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.652 -22.943 -17.749 1.00 0.00 H new ATOM 772 N LEU A 49 -5.451 -19.346 -15.036 1.00 0.00 N ATOM 773 CA LEU A 49 -5.352 -18.163 -14.191 1.00 0.00 C ATOM 774 C LEU A 49 -5.244 -16.918 -15.071 1.00 0.00 C ATOM 775 O LEU A 49 -6.061 -16.012 -14.961 1.00 0.00 O ATOM 776 CB LEU A 49 -4.153 -18.302 -13.242 1.00 0.00 C ATOM 777 CG LEU A 49 -3.895 -17.066 -12.360 1.00 0.00 C ATOM 778 CD1 LEU A 49 -5.092 -16.742 -11.457 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.657 -17.317 -11.493 1.00 0.00 C ATOM 0 H LEU A 49 -4.777 -20.077 -14.807 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.247 -18.063 -13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.313 -19.166 -12.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.259 -18.505 -13.832 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.737 -16.212 -13.018 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.865 -15.863 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.969 -16.542 -12.073 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.294 -17.590 -10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.469 -16.445 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.826 -18.189 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.794 -17.496 -12.134 1.00 0.00 H new ATOM 791 N PHE A 50 -4.255 -16.899 -15.964 1.00 0.00 N ATOM 792 CA PHE A 50 -4.006 -15.827 -16.913 1.00 0.00 C ATOM 793 C PHE A 50 -5.261 -15.521 -17.723 1.00 0.00 C ATOM 794 O PHE A 50 -5.636 -14.361 -17.848 1.00 0.00 O ATOM 795 CB PHE A 50 -2.845 -16.209 -17.833 1.00 0.00 C ATOM 796 CG PHE A 50 -2.322 -15.086 -18.699 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.987 -14.715 -19.883 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.082 -14.504 -18.385 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.410 -13.762 -20.738 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.539 -13.509 -19.209 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.182 -13.167 -20.402 1.00 0.00 C ATOM 0 H PHE A 50 -3.582 -17.662 -16.045 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.736 -14.925 -16.363 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.026 -16.588 -17.222 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.166 -17.027 -18.479 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.938 -15.162 -20.133 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.545 -14.825 -17.505 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.910 -13.486 -21.654 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.374 -13.008 -18.923 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.734 -12.444 -21.067 1.00 0.00 H new ATOM 811 N GLU A 51 -5.907 -16.549 -18.281 1.00 0.00 N ATOM 812 CA GLU A 51 -7.114 -16.366 -19.074 1.00 0.00 C ATOM 813 C GLU A 51 -8.174 -15.579 -18.299 1.00 0.00 C ATOM 814 O GLU A 51 -8.809 -14.688 -18.856 1.00 0.00 O ATOM 815 CB GLU A 51 -7.626 -17.731 -19.562 1.00 0.00 C ATOM 816 CG GLU A 51 -8.916 -17.649 -20.393 1.00 0.00 C ATOM 817 CD GLU A 51 -8.805 -16.720 -21.600 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.734 -16.746 -22.246 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.800 -16.012 -21.863 1.00 0.00 O ATOM 0 H GLU A 51 -5.607 -17.520 -18.194 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.879 -15.767 -19.954 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.849 -18.207 -20.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.801 -18.373 -18.698 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.181 -18.649 -20.737 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.729 -17.306 -19.754 1.00 0.00 H new ATOM 826 N GLU A 52 -8.363 -15.903 -17.019 1.00 0.00 N ATOM 827 CA GLU A 52 -9.359 -15.235 -16.186 1.00 0.00 C ATOM 828 C GLU A 52 -8.882 -13.843 -15.757 1.00 0.00 C ATOM 829 O GLU A 52 -9.646 -12.884 -15.771 1.00 0.00 O ATOM 830 CB GLU A 52 -9.700 -16.116 -14.977 1.00 0.00 C ATOM 831 CG GLU A 52 -10.337 -17.450 -15.396 1.00 0.00 C ATOM 832 CD GLU A 52 -11.663 -17.254 -16.126 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.680 -17.092 -15.418 1.00 0.00 O ATOM 834 OE2 GLU A 52 -11.634 -17.253 -17.376 1.00 0.00 O ATOM 0 H GLU A 52 -7.834 -16.629 -16.536 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.267 -15.090 -16.772 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.793 -16.312 -14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.383 -15.579 -14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.646 -17.993 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.499 -18.066 -14.512 1.00 0.00 H new ATOM 841 N LEU A 53 -7.616 -13.748 -15.357 1.00 0.00 N ATOM 842 CA LEU A 53 -6.947 -12.527 -14.933 1.00 0.00 C ATOM 843 C LEU A 53 -7.062 -11.472 -16.039 1.00 0.00 C ATOM 844 O LEU A 53 -7.542 -10.362 -15.823 1.00 0.00 O ATOM 845 CB LEU A 53 -5.480 -12.909 -14.642 1.00 0.00 C ATOM 846 CG LEU A 53 -4.569 -11.910 -13.915 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.151 -12.507 -13.925 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.534 -10.522 -14.554 1.00 0.00 C ATOM 0 H LEU A 53 -7.002 -14.561 -15.319 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.398 -12.095 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.492 -13.827 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.009 -13.146 -15.596 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.962 -11.764 -12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.467 -11.828 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.157 -13.468 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.823 -12.649 -14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.869 -9.875 -13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.170 -10.602 -15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.538 -10.098 -14.558 1.00 0.00 H new ATOM 860 N ASP A 54 -6.600 -11.824 -17.238 1.00 0.00 N ATOM 861 CA ASP A 54 -6.389 -10.915 -18.352 1.00 0.00 C ATOM 862 C ASP A 54 -7.675 -10.585 -19.113 1.00 0.00 C ATOM 863 O ASP A 54 -7.677 -10.586 -20.346 1.00 0.00 O ATOM 864 CB ASP A 54 -5.354 -11.553 -19.286 1.00 0.00 C ATOM 865 CG ASP A 54 -4.742 -10.562 -20.269 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.077 -9.359 -20.183 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.953 -11.036 -21.113 1.00 0.00 O ATOM 0 H ASP A 54 -6.355 -12.788 -17.464 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.031 -9.963 -17.960 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.560 -11.999 -18.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.826 -12.363 -19.843 1.00 0.00 H new ATOM 872 N LYS A 55 -8.760 -10.275 -18.403 1.00 0.00 N ATOM 873 CA LYS A 55 -10.065 -9.999 -19.002 1.00 0.00 C ATOM 874 C LYS A 55 -10.115 -8.580 -19.593 1.00 0.00 C ATOM 875 O LYS A 55 -10.937 -7.746 -19.218 1.00 0.00 O ATOM 876 CB LYS A 55 -11.193 -10.324 -17.997 1.00 0.00 C ATOM 877 CG LYS A 55 -12.148 -11.385 -18.566 1.00 0.00 C ATOM 878 CD LYS A 55 -11.488 -12.771 -18.550 1.00 0.00 C ATOM 879 CE LYS A 55 -12.210 -13.748 -19.483 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.577 -15.078 -19.445 1.00 0.00 N ATOM 0 H LYS A 55 -8.757 -10.208 -17.385 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.229 -10.659 -19.854 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.761 -10.682 -17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.750 -9.416 -17.763 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.067 -11.407 -17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.427 -11.121 -19.586 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.445 -12.682 -18.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.493 -13.166 -17.534 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.257 -13.831 -19.190 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.194 -13.362 -20.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.757 -15.574 -20.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.552 -14.971 -19.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.975 -15.630 -18.658 1.00 0.00 H new ATOM 894 N ALA A 56 -9.233 -8.328 -20.563 1.00 0.00 N ATOM 895 CA ALA A 56 -9.151 -7.114 -21.361 1.00 0.00 C ATOM 896 C ALA A 56 -8.126 -7.343 -22.469 1.00 0.00 C ATOM 897 O ALA A 56 -8.423 -7.172 -23.647 1.00 0.00 O ATOM 898 CB ALA A 56 -8.751 -5.905 -20.505 1.00 0.00 C ATOM 0 H ALA A 56 -8.519 -9.008 -20.823 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.130 -6.894 -21.786 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.699 -5.016 -21.133 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.493 -5.753 -19.721 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.776 -6.086 -20.052 1.00 0.00 H new ATOM 904 N GLY A 57 -6.908 -7.731 -22.077 1.00 0.00 N ATOM 905 CA GLY A 57 -5.820 -7.987 -23.006 1.00 0.00 C ATOM 906 C GLY A 57 -5.933 -9.378 -23.627 1.00 0.00 C ATOM 907 O GLY A 57 -5.575 -9.556 -24.789 1.00 0.00 O ATOM 0 H GLY A 57 -6.655 -7.875 -21.099 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.827 -7.234 -23.794 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.866 -7.895 -22.486 1.00 0.00 H new ATOM 911 N ASP A 58 -6.410 -10.359 -22.850 1.00 0.00 N ATOM 912 CA ASP A 58 -6.627 -11.749 -23.248 1.00 0.00 C ATOM 913 C ASP A 58 -5.487 -12.283 -24.125 1.00 0.00 C ATOM 914 O ASP A 58 -5.716 -12.850 -25.191 1.00 0.00 O ATOM 915 CB ASP A 58 -8.010 -11.894 -23.900 1.00 0.00 C ATOM 916 CG ASP A 58 -9.135 -11.533 -22.933 1.00 0.00 C ATOM 917 OD1 ASP A 58 -9.439 -10.323 -22.834 1.00 0.00 O ATOM 918 OD2 ASP A 58 -9.672 -12.469 -22.303 1.00 0.00 O ATOM 0 H ASP A 58 -6.667 -10.192 -21.877 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.616 -12.375 -22.356 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.066 -11.252 -24.779 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.143 -12.919 -24.245 1.00 0.00 H new ATOM 923 N GLY A 59 -4.248 -12.100 -23.661 1.00 0.00 N ATOM 924 CA GLY A 59 -3.044 -12.434 -24.406 1.00 0.00 C ATOM 925 C GLY A 59 -1.813 -11.854 -23.712 1.00 0.00 C ATOM 926 O GLY A 59 -0.819 -12.555 -23.530 1.00 0.00 O ATOM 0 H GLY A 59 -4.056 -11.708 -22.739 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.947 -13.517 -24.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.116 -12.043 -25.421 1.00 0.00 H new ATOM 930 N GLU A 60 -1.900 -10.587 -23.295 1.00 0.00 N ATOM 931 CA GLU A 60 -0.891 -9.905 -22.500 1.00 0.00 C ATOM 932 C GLU A 60 -1.596 -9.138 -21.376 1.00 0.00 C ATOM 933 O GLU A 60 -2.557 -8.421 -21.643 1.00 0.00 O ATOM 934 CB GLU A 60 -0.083 -8.953 -23.386 1.00 0.00 C ATOM 935 CG GLU A 60 0.616 -9.649 -24.563 1.00 0.00 C ATOM 936 CD GLU A 60 1.518 -8.697 -25.348 1.00 0.00 C ATOM 937 OE1 GLU A 60 1.603 -7.513 -24.947 1.00 0.00 O ATOM 938 OE2 GLU A 60 2.094 -9.167 -26.352 1.00 0.00 O ATOM 0 H GLU A 60 -2.702 -9.995 -23.512 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.199 -10.627 -22.067 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.747 -8.181 -23.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.667 -8.451 -22.775 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.210 -10.482 -24.188 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.135 -10.069 -25.232 1.00 0.00 H new ATOM 945 N VAL A 61 -1.110 -9.251 -20.138 1.00 0.00 N ATOM 946 CA VAL A 61 -1.729 -8.664 -18.955 1.00 0.00 C ATOM 947 C VAL A 61 -1.214 -7.237 -18.809 1.00 0.00 C ATOM 948 O VAL A 61 -0.031 -7.031 -18.545 1.00 0.00 O ATOM 949 CB VAL A 61 -1.378 -9.527 -17.725 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.645 -8.846 -16.375 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.194 -10.819 -17.767 1.00 0.00 C ATOM 0 H VAL A 61 -0.255 -9.766 -19.929 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.815 -8.636 -19.045 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.305 -9.708 -17.788 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.371 -9.523 -15.566 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.051 -7.935 -16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.703 -8.597 -16.296 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.949 -11.432 -16.900 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.257 -10.579 -17.753 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.958 -11.369 -18.678 1.00 0.00 H new ATOM 961 N SER A 62 -2.096 -6.253 -18.997 1.00 0.00 N ATOM 962 CA SER A 62 -1.801 -4.852 -18.749 1.00 0.00 C ATOM 963 C SER A 62 -1.876 -4.564 -17.255 1.00 0.00 C ATOM 964 O SER A 62 -2.467 -5.337 -16.503 1.00 0.00 O ATOM 965 CB SER A 62 -2.763 -3.982 -19.567 1.00 0.00 C ATOM 966 OG SER A 62 -4.093 -4.226 -19.152 1.00 0.00 O ATOM 0 H SER A 62 -3.046 -6.416 -19.330 1.00 0.00 H new ATOM 0 HA SER A 62 -0.787 -4.612 -19.068 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.518 -2.928 -19.435 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.656 -4.204 -20.629 1.00 0.00 H new ATOM 0 HG SER A 62 -4.651 -3.450 -19.369 1.00 0.00 H new ATOM 972 N PHE A 63 -1.288 -3.444 -16.816 1.00 0.00 N ATOM 973 CA PHE A 63 -1.300 -3.073 -15.405 1.00 0.00 C ATOM 974 C PHE A 63 -2.730 -3.028 -14.855 1.00 0.00 C ATOM 975 O PHE A 63 -2.975 -3.324 -13.687 1.00 0.00 O ATOM 976 CB PHE A 63 -0.576 -1.741 -15.174 1.00 0.00 C ATOM 977 CG PHE A 63 -0.403 -1.422 -13.702 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.335 -2.295 -12.883 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.099 -0.345 -13.123 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.325 -2.132 -11.487 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.047 -0.139 -11.734 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.361 -1.050 -10.912 1.00 0.00 C ATOM 0 H PHE A 63 -0.800 -2.783 -17.421 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.758 -3.844 -14.857 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.403 -1.775 -15.652 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.137 -0.938 -15.653 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.911 -3.093 -13.328 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.674 0.324 -13.747 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.845 -2.839 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.535 0.720 -11.297 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.362 -0.918 -9.840 1.00 0.00 H new ATOM 992 N GLU A 64 -3.691 -2.673 -15.710 1.00 0.00 N ATOM 993 CA GLU A 64 -5.112 -2.749 -15.408 1.00 0.00 C ATOM 994 C GLU A 64 -5.475 -4.136 -14.886 1.00 0.00 C ATOM 995 O GLU A 64 -6.019 -4.277 -13.793 1.00 0.00 O ATOM 996 CB GLU A 64 -5.926 -2.449 -16.676 1.00 0.00 C ATOM 997 CG GLU A 64 -5.595 -1.104 -17.343 1.00 0.00 C ATOM 998 CD GLU A 64 -6.065 -1.096 -18.795 1.00 0.00 C ATOM 999 OE1 GLU A 64 -5.480 -1.881 -19.575 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -6.993 -0.314 -19.094 1.00 0.00 O ATOM 0 H GLU A 64 -3.495 -2.319 -16.646 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.345 -2.013 -14.639 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.759 -3.249 -17.397 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.986 -2.464 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.074 -0.292 -16.795 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.520 -0.926 -17.302 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.159 -5.166 -15.671 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.521 -6.520 -15.302 1.00 0.00 C ATOM 1009 C GLU A 65 -4.624 -6.983 -14.153 1.00 0.00 C ATOM 1010 O GLU A 65 -5.067 -7.668 -13.234 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.454 -7.422 -16.540 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.326 -6.900 -17.693 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.762 -6.625 -17.259 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.491 -7.617 -17.050 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -8.095 -5.425 -17.135 1.00 0.00 O ATOM 0 H GLU A 65 -4.658 -5.083 -16.556 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.548 -6.570 -14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.420 -7.497 -16.876 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.776 -8.428 -16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.888 -5.984 -18.090 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.328 -7.630 -18.503 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.364 -6.552 -14.160 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.444 -6.869 -13.083 1.00 0.00 C ATOM 1024 C PHE A 66 -3.001 -6.398 -11.743 1.00 0.00 C ATOM 1025 O PHE A 66 -2.947 -7.132 -10.766 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.063 -6.277 -13.341 1.00 0.00 C ATOM 1027 CG PHE A 66 0.001 -6.935 -12.493 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.564 -8.159 -12.899 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.365 -6.375 -11.257 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.598 -8.739 -12.148 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.389 -6.964 -10.499 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.044 -8.114 -10.972 1.00 0.00 C ATOM 0 H PHE A 66 -2.962 -5.982 -14.904 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.334 -7.953 -13.044 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.810 -6.393 -14.395 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.082 -5.207 -13.133 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.200 -8.652 -13.788 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.142 -5.494 -10.891 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.050 -9.664 -12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.674 -6.533 -9.551 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.889 -8.516 -10.432 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.577 -5.198 -11.671 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.225 -4.757 -10.442 1.00 0.00 C ATOM 1044 C GLN A 67 -5.327 -5.730 -9.997 1.00 0.00 C ATOM 1045 O GLN A 67 -5.499 -5.935 -8.799 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.760 -3.335 -10.602 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.608 -2.324 -10.593 1.00 0.00 C ATOM 1048 CD GLN A 67 -4.053 -1.004 -11.201 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.291 -0.026 -10.500 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.167 -0.975 -12.523 1.00 0.00 N ATOM 0 H GLN A 67 -3.607 -4.525 -12.437 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.476 -4.751 -9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.317 -3.252 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.456 -3.109 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.266 -2.163 -9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.762 -2.722 -11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.960 -1.810 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.462 -0.118 -12.991 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.055 -6.365 -10.921 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.995 -7.418 -10.536 1.00 0.00 C ATOM 1061 C VAL A 68 -6.228 -8.565 -9.865 1.00 0.00 C ATOM 1062 O VAL A 68 -6.649 -9.069 -8.826 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.854 -7.892 -11.725 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.932 -8.877 -11.254 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.544 -6.709 -12.416 1.00 0.00 C ATOM 0 H VAL A 68 -6.013 -6.172 -11.922 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.703 -7.012 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.185 -8.383 -12.431 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.528 -9.200 -12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.457 -9.744 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.578 -8.388 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.143 -7.074 -13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.190 -6.197 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.790 -6.014 -12.787 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.073 -8.951 -10.414 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.183 -9.908 -9.760 1.00 0.00 C ATOM 1077 C LEU A 69 -3.806 -9.398 -8.356 1.00 0.00 C ATOM 1078 O LEU A 69 -3.911 -10.139 -7.379 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.978 -10.210 -10.675 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.167 -11.489 -10.403 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.286 -11.365 -9.161 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.029 -12.755 -10.311 1.00 0.00 C ATOM 0 H LEU A 69 -4.733 -8.612 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.686 -10.862 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.342 -10.257 -11.701 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.295 -9.363 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.524 -11.599 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.734 -12.293 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.583 -10.542 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.911 -11.171 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.390 -13.617 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.748 -12.647 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.562 -12.902 -11.251 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.436 -8.118 -8.217 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.145 -7.512 -6.918 1.00 0.00 C ATOM 1096 C VAL A 70 -4.332 -7.657 -5.954 1.00 0.00 C ATOM 1097 O VAL A 70 -4.134 -7.969 -4.781 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.664 -6.052 -7.044 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.354 -5.440 -5.670 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.388 -5.961 -7.891 1.00 0.00 C ATOM 0 H VAL A 70 -3.331 -7.477 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.311 -8.065 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.475 -5.502 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.018 -4.411 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.253 -5.454 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.571 -6.020 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.072 -4.920 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.598 -6.549 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.586 -6.350 -8.890 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.568 -7.470 -6.426 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.744 -7.704 -5.590 1.00 0.00 C ATOM 1112 C LYS A 71 -6.789 -9.147 -5.064 1.00 0.00 C ATOM 1113 O LYS A 71 -7.371 -9.382 -4.009 1.00 0.00 O ATOM 1114 CB LYS A 71 -8.044 -7.339 -6.320 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.116 -5.840 -6.640 1.00 0.00 C ATOM 1116 CD LYS A 71 -9.366 -5.533 -7.478 1.00 0.00 C ATOM 1117 CE LYS A 71 -9.331 -4.107 -8.039 1.00 0.00 C ATOM 1118 NZ LYS A 71 -8.273 -3.941 -9.053 1.00 0.00 N ATOM 0 H LYS A 71 -5.777 -7.160 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.656 -7.042 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.115 -7.912 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.898 -7.621 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.140 -5.264 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.222 -5.534 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.439 -6.246 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.257 -5.662 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.298 -3.867 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.168 -3.401 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.447 -3.072 -9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.348 -3.876 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.277 -4.758 -9.696 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.176 -10.110 -5.765 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.003 -11.455 -5.235 1.00 0.00 C ATOM 1134 C LYS A 72 -4.856 -11.476 -4.221 1.00 0.00 C ATOM 1135 O LYS A 72 -5.054 -11.926 -3.093 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.793 -12.487 -6.355 1.00 0.00 C ATOM 1137 CG LYS A 72 -6.832 -12.399 -7.486 1.00 0.00 C ATOM 1138 CD LYS A 72 -8.295 -12.455 -7.018 1.00 0.00 C ATOM 1139 CE LYS A 72 -8.624 -13.756 -6.276 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.052 -13.820 -5.922 1.00 0.00 N ATOM 0 H LYS A 72 -5.794 -9.975 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.920 -11.741 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.798 -12.352 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.823 -13.488 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.675 -11.470 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.657 -13.216 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.497 -11.606 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.953 -12.356 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.363 -14.610 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.019 -13.825 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.246 -14.711 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.293 -13.017 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.627 -13.778 -6.788 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.659 -10.999 -4.596 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.490 -11.094 -3.710 1.00 0.00 C ATOM 1156 C ILE A 73 -2.751 -10.425 -2.355 1.00 0.00 C ATOM 1157 O ILE A 73 -2.283 -10.895 -1.322 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.179 -10.588 -4.352 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.941 -9.084 -4.156 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.054 -10.995 -5.822 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.200 -8.512 -4.998 1.00 0.00 C ATOM 0 H ILE A 73 -3.477 -10.550 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.340 -12.160 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.381 -11.092 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.859 -8.548 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.730 -8.896 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.116 -10.615 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.069 -12.082 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.888 -10.578 -6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.300 -7.445 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.131 -9.018 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.016 -8.665 -6.055 1.00 0.00 H new ATOM 1173 N SER A 74 -3.504 -9.322 -2.373 1.00 0.00 N ATOM 1174 CA SER A 74 -3.981 -8.620 -1.190 1.00 0.00 C ATOM 1175 C SER A 74 -2.828 -8.049 -0.358 1.00 0.00 C ATOM 1176 O SER A 74 -2.848 -8.136 0.867 1.00 0.00 O ATOM 1177 CB SER A 74 -4.882 -9.538 -0.351 1.00 0.00 C ATOM 1178 OG SER A 74 -5.915 -10.090 -1.145 1.00 0.00 O ATOM 0 H SER A 74 -3.806 -8.883 -3.243 1.00 0.00 H new ATOM 0 HA SER A 74 -4.575 -7.769 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.286 -10.339 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.314 -8.974 0.476 1.00 0.00 H new ATOM 0 HG SER A 74 -5.534 -10.738 -1.773 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.834 -7.443 -1.016 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.711 -6.816 -0.329 1.00 0.00 C ATOM 1186 C GLN A 75 -1.151 -5.473 0.270 1.00 0.00 C ATOM 1187 O GLN A 75 -1.268 -4.504 -0.516 1.00 0.00 O ATOM 1188 CB GLN A 75 0.473 -6.651 -1.295 1.00 0.00 C ATOM 1189 CG GLN A 75 1.746 -6.225 -0.544 1.00 0.00 C ATOM 1190 CD GLN A 75 2.808 -5.627 -1.463 1.00 0.00 C ATOM 1191 OE1 GLN A 75 2.632 -5.551 -2.674 1.00 0.00 O ATOM 1192 NE2 GLN A 75 3.891 -5.124 -0.880 1.00 0.00 N ATOM 1193 OXT GLN A 75 -1.327 -5.423 1.506 1.00 0.00 O ATOM 0 H GLN A 75 -1.789 -7.376 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.380 -7.454 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.653 -7.590 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.227 -5.906 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.483 -5.495 0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.164 -7.090 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.010 -5.203 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.604 -4.659 -1.443 1.00 0.00 H new TER 1202 GLN A 75