USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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 -35:sc= 0.438 USER MOD Set 1.2: A 34 THR OG1 : rot 69:sc= 1.49 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -150:sc= 0.186 (180deg=-0.00694) USER MOD Set 2.2: A 33 GLN : amide:sc= 0.757 K(o=0.94,f=-2.1!) USER MOD Set 3.1: A 22 GLN : amide:sc= 0.92 K(o=0.92,f=-0.94) USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -147:sc= 0.906 (180deg=0) USER MOD Set 4.2: A 21 ASN : amide:sc= 2.11 K(o=3,f=-4.2) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -152:sc= 0.732 (180deg=0.366) USER MOD Single : A 2 SER OG : rot 180:sc= 0.128 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= -0.264 (180deg=-0.31) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.807 (180deg=0.663) USER MOD Single : A 24 SER OG : rot -93:sc= 1.75 USER MOD Single : A 25 LYS NZ :NH3+ 137:sc= 0.31 (180deg=-0.0232) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -170:sc=-0.00446 (180deg=-0.145) USER MOD Single : A 44 SER OG : rot 180:sc= 0.108 USER MOD Single : A 45 THR OG1 : rot 88:sc= 1.08 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc=-0.00352 (180deg=-0.0378) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 55:sc= 0.421 USER MOD Single : A 75 GLN : amide:sc= 0.646 K(o=0.65,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.365 3.489 -1.587 1.00 0.00 N ATOM 2 CA LYS A 1 3.705 2.920 -1.818 1.00 0.00 C ATOM 3 C LYS A 1 3.592 1.572 -2.531 1.00 0.00 C ATOM 4 O LYS A 1 3.989 1.445 -3.687 1.00 0.00 O ATOM 5 CB LYS A 1 4.491 2.836 -0.499 1.00 0.00 C ATOM 6 CG LYS A 1 6.010 2.669 -0.668 1.00 0.00 C ATOM 7 CD LYS A 1 6.439 1.293 -1.199 1.00 0.00 C ATOM 8 CE LYS A 1 7.946 1.099 -0.986 1.00 0.00 C ATOM 9 NZ LYS A 1 8.408 -0.200 -1.503 1.00 0.00 N ATOM 0 H1 LYS A 1 2.455 4.405 -1.102 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.884 3.626 -2.499 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.809 2.838 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 1 4.271 3.580 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.300 3.739 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.109 1.997 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.375 3.438 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.492 2.841 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.886 0.507 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.199 1.211 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.490 1.902 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.175 1.169 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.241 -0.512 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.648 -0.903 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.661 -0.104 -2.507 1.00 0.00 H new ATOM 25 N SER A 2 3.035 0.563 -1.862 1.00 0.00 N ATOM 26 CA SER A 2 2.990 -0.803 -2.356 1.00 0.00 C ATOM 27 C SER A 2 2.431 -0.917 -3.784 1.00 0.00 C ATOM 28 O SER A 2 3.075 -1.554 -4.616 1.00 0.00 O ATOM 29 CB SER A 2 2.277 -1.689 -1.326 1.00 0.00 C ATOM 30 OG SER A 2 2.465 -1.133 -0.033 1.00 0.00 O ATOM 0 H SER A 2 2.597 0.679 -0.948 1.00 0.00 H new ATOM 0 HA SER A 2 4.010 -1.172 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.214 -1.755 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.674 -2.703 -1.362 1.00 0.00 H new ATOM 0 HG SER A 2 2.011 -1.691 0.632 1.00 0.00 H new ATOM 36 N PRO A 3 1.291 -0.286 -4.121 1.00 0.00 N ATOM 37 CA PRO A 3 0.792 -0.266 -5.490 1.00 0.00 C ATOM 38 C PRO A 3 1.840 0.253 -6.482 1.00 0.00 C ATOM 39 O PRO A 3 2.010 -0.309 -7.562 1.00 0.00 O ATOM 40 CB PRO A 3 -0.447 0.635 -5.467 1.00 0.00 C ATOM 41 CG PRO A 3 -0.923 0.540 -4.019 1.00 0.00 C ATOM 42 CD PRO A 3 0.398 0.471 -3.257 1.00 0.00 C ATOM 0 HA PRO A 3 0.552 -1.274 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.204 1.661 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.209 0.289 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.518 1.405 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.539 -0.343 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.792 1.468 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.272 -0.020 -2.292 1.00 0.00 H new ATOM 50 N GLU A 4 2.546 1.324 -6.110 1.00 0.00 N ATOM 51 CA GLU A 4 3.555 1.948 -6.951 1.00 0.00 C ATOM 52 C GLU A 4 4.747 1.005 -7.110 1.00 0.00 C ATOM 53 O GLU A 4 5.291 0.867 -8.202 1.00 0.00 O ATOM 54 CB GLU A 4 3.985 3.297 -6.359 1.00 0.00 C ATOM 55 CG GLU A 4 2.795 4.244 -6.143 1.00 0.00 C ATOM 56 CD GLU A 4 3.236 5.520 -5.436 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.638 6.460 -6.153 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.171 5.522 -4.187 1.00 0.00 O ATOM 0 H GLU A 4 2.427 1.782 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 4 3.134 2.140 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.491 3.129 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.707 3.770 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.344 4.493 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.029 3.742 -5.552 1.00 0.00 H new ATOM 65 N GLU A 5 5.139 0.332 -6.025 1.00 0.00 N ATOM 66 CA GLU A 5 6.153 -0.707 -6.093 1.00 0.00 C ATOM 67 C GLU A 5 5.731 -1.764 -7.118 1.00 0.00 C ATOM 68 O GLU A 5 6.490 -2.071 -8.035 1.00 0.00 O ATOM 69 CB GLU A 5 6.398 -1.307 -4.700 1.00 0.00 C ATOM 70 CG GLU A 5 7.594 -2.270 -4.675 1.00 0.00 C ATOM 71 CD GLU A 5 8.904 -1.569 -5.023 1.00 0.00 C ATOM 72 OE1 GLU A 5 9.286 -0.674 -4.239 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.489 -1.931 -6.067 1.00 0.00 O ATOM 0 H GLU A 5 4.765 0.493 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 5 7.100 -0.281 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.570 -0.501 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.503 -1.836 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.676 -2.720 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.420 -3.082 -5.381 1.00 0.00 H new ATOM 80 N LEU A 6 4.516 -2.309 -6.988 1.00 0.00 N ATOM 81 CA LEU A 6 4.059 -3.337 -7.915 1.00 0.00 C ATOM 82 C LEU A 6 3.982 -2.805 -9.345 1.00 0.00 C ATOM 83 O LEU A 6 4.322 -3.531 -10.275 1.00 0.00 O ATOM 84 CB LEU A 6 2.735 -3.978 -7.485 1.00 0.00 C ATOM 85 CG LEU A 6 2.767 -4.620 -6.088 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.466 -5.393 -5.874 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.956 -5.566 -5.890 1.00 0.00 C ATOM 0 H LEU A 6 3.846 -2.058 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 6 4.808 -4.129 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.954 -3.218 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.459 -4.739 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 6 2.876 -3.816 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.475 -5.854 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.620 -4.709 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.374 -6.168 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.923 -5.987 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.906 -6.371 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.886 -5.013 -6.021 1.00 0.00 H new ATOM 99 N LYS A 7 3.565 -1.551 -9.541 1.00 0.00 N ATOM 100 CA LYS A 7 3.628 -0.904 -10.846 1.00 0.00 C ATOM 101 C LYS A 7 5.059 -0.923 -11.378 1.00 0.00 C ATOM 102 O LYS A 7 5.283 -1.335 -12.513 1.00 0.00 O ATOM 103 CB LYS A 7 3.072 0.526 -10.761 1.00 0.00 C ATOM 104 CG LYS A 7 3.188 1.331 -12.065 1.00 0.00 C ATOM 105 CD LYS A 7 2.452 0.662 -13.233 1.00 0.00 C ATOM 106 CE LYS A 7 2.336 1.604 -14.437 1.00 0.00 C ATOM 107 NZ LYS A 7 3.647 1.891 -15.043 1.00 0.00 N ATOM 0 H LYS A 7 3.178 -0.963 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 7 3.006 -1.458 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.023 0.478 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.598 1.061 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.783 2.331 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.240 1.450 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.982 -0.243 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.456 0.358 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.681 1.157 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.870 2.538 -14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.650 2.860 -15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.390 1.799 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.828 1.217 -15.814 1.00 0.00 H new ATOM 121 N GLY A 8 6.027 -0.485 -10.571 1.00 0.00 N ATOM 122 CA GLY A 8 7.431 -0.484 -10.948 1.00 0.00 C ATOM 123 C GLY A 8 7.893 -1.880 -11.361 1.00 0.00 C ATOM 124 O GLY A 8 8.465 -2.059 -12.435 1.00 0.00 O ATOM 0 H GLY A 8 5.852 -0.120 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.589 0.213 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.035 -0.131 -10.112 1.00 0.00 H new ATOM 128 N ILE A 9 7.656 -2.873 -10.500 1.00 0.00 N ATOM 129 CA ILE A 9 7.984 -4.272 -10.765 1.00 0.00 C ATOM 130 C ILE A 9 7.375 -4.691 -12.106 1.00 0.00 C ATOM 131 O ILE A 9 8.091 -5.099 -13.024 1.00 0.00 O ATOM 132 CB ILE A 9 7.477 -5.140 -9.594 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.302 -4.898 -8.319 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.509 -6.631 -9.923 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.788 -5.749 -7.153 1.00 0.00 C ATOM 0 H ILE A 9 7.225 -2.724 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 9 9.063 -4.410 -10.838 1.00 0.00 H new ATOM 0 HB ILE A 9 6.443 -4.841 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.349 -5.134 -8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.257 -3.843 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.143 -7.200 -9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.875 -6.827 -10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.532 -6.932 -10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.392 -5.555 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.749 -5.494 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.857 -6.805 -7.415 1.00 0.00 H new ATOM 147 N PHE A 10 6.045 -4.596 -12.195 1.00 0.00 N ATOM 148 CA PHE A 10 5.269 -4.933 -13.376 1.00 0.00 C ATOM 149 C PHE A 10 5.911 -4.310 -14.614 1.00 0.00 C ATOM 150 O PHE A 10 6.218 -5.014 -15.569 1.00 0.00 O ATOM 151 CB PHE A 10 3.816 -4.474 -13.176 1.00 0.00 C ATOM 152 CG PHE A 10 2.980 -4.462 -14.437 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.013 -3.332 -15.274 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.177 -5.564 -14.787 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.372 -3.363 -16.519 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.495 -5.571 -16.013 1.00 0.00 C ATOM 157 CZ PHE A 10 1.639 -4.496 -16.902 1.00 0.00 C ATOM 0 H PHE A 10 5.468 -4.272 -11.419 1.00 0.00 H new ATOM 0 HA PHE A 10 5.259 -6.012 -13.528 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.339 -5.128 -12.446 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.821 -3.471 -12.750 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.533 -2.440 -14.957 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.086 -6.403 -14.113 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.442 -2.515 -17.184 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.859 -6.404 -16.272 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.186 -4.540 -17.881 1.00 0.00 H new ATOM 167 N GLU A 11 6.129 -2.996 -14.582 1.00 0.00 N ATOM 168 CA GLU A 11 6.692 -2.237 -15.682 1.00 0.00 C ATOM 169 C GLU A 11 8.060 -2.799 -16.083 1.00 0.00 C ATOM 170 O GLU A 11 8.294 -3.073 -17.257 1.00 0.00 O ATOM 171 CB GLU A 11 6.756 -0.757 -15.279 1.00 0.00 C ATOM 172 CG GLU A 11 7.228 0.139 -16.429 1.00 0.00 C ATOM 173 CD GLU A 11 7.045 1.614 -16.089 1.00 0.00 C ATOM 174 OE1 GLU A 11 7.694 2.057 -15.117 1.00 0.00 O ATOM 175 OE2 GLU A 11 6.247 2.268 -16.796 1.00 0.00 O ATOM 0 H GLU A 11 5.911 -2.422 -13.767 1.00 0.00 H new ATOM 0 HA GLU A 11 6.057 -2.323 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.770 -0.430 -14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.432 -0.642 -14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.278 -0.060 -16.641 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.669 -0.101 -17.333 1.00 0.00 H new ATOM 182 N LYS A 12 8.972 -2.976 -15.120 1.00 0.00 N ATOM 183 CA LYS A 12 10.305 -3.489 -15.415 1.00 0.00 C ATOM 184 C LYS A 12 10.243 -4.864 -16.084 1.00 0.00 C ATOM 185 O LYS A 12 10.914 -5.083 -17.091 1.00 0.00 O ATOM 186 CB LYS A 12 11.177 -3.523 -14.153 1.00 0.00 C ATOM 187 CG LYS A 12 11.596 -2.109 -13.727 1.00 0.00 C ATOM 188 CD LYS A 12 12.672 -2.127 -12.630 1.00 0.00 C ATOM 189 CE LYS A 12 12.238 -2.854 -11.351 1.00 0.00 C ATOM 190 NZ LYS A 12 11.011 -2.271 -10.783 1.00 0.00 N ATOM 0 H LYS A 12 8.807 -2.771 -14.134 1.00 0.00 H new ATOM 0 HA LYS A 12 10.770 -2.803 -16.123 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.628 -4.002 -13.342 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.065 -4.128 -14.338 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.973 -1.567 -14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.722 -1.566 -13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.570 -2.605 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.941 -1.101 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.072 -3.909 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.040 -2.804 -10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.805 -2.720 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.144 -1.249 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.216 -2.432 -11.434 1.00 0.00 H new ATOM 204 N TYR A 13 9.451 -5.796 -15.543 1.00 0.00 N ATOM 205 CA TYR A 13 9.191 -7.059 -16.208 1.00 0.00 C ATOM 206 C TYR A 13 8.672 -6.833 -17.627 1.00 0.00 C ATOM 207 O TYR A 13 9.301 -7.224 -18.607 1.00 0.00 O ATOM 208 CB TYR A 13 8.240 -7.875 -15.331 1.00 0.00 C ATOM 209 CG TYR A 13 8.972 -8.607 -14.228 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.802 -9.688 -14.566 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.786 -8.275 -12.875 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.421 -10.445 -13.564 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.470 -8.989 -11.878 1.00 0.00 C ATOM 214 CZ TYR A 13 10.279 -10.081 -12.218 1.00 0.00 C ATOM 215 OH TYR A 13 10.822 -10.837 -11.225 1.00 0.00 O ATOM 0 H TYR A 13 8.982 -5.690 -14.643 1.00 0.00 H new ATOM 0 HA TYR A 13 10.112 -7.630 -16.329 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.493 -7.213 -14.893 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.704 -8.595 -15.950 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.964 -9.937 -15.604 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.118 -7.472 -12.602 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.009 -11.311 -13.829 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.372 -8.695 -10.844 1.00 0.00 H new ATOM 0 HH TYR A 13 10.776 -11.784 -11.473 1.00 0.00 H new ATOM 225 N ALA A 14 7.520 -6.185 -17.730 1.00 0.00 N ATOM 226 CA ALA A 14 6.791 -5.952 -18.962 1.00 0.00 C ATOM 227 C ALA A 14 7.659 -5.381 -20.079 1.00 0.00 C ATOM 228 O ALA A 14 7.600 -5.858 -21.214 1.00 0.00 O ATOM 229 CB ALA A 14 5.629 -5.024 -18.613 1.00 0.00 C ATOM 0 H ALA A 14 7.049 -5.790 -16.916 1.00 0.00 H new ATOM 0 HA ALA A 14 6.432 -6.901 -19.361 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.046 -4.817 -19.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.992 -5.503 -17.869 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.018 -4.089 -18.210 1.00 0.00 H new ATOM 235 N ALA A 15 8.484 -4.386 -19.745 1.00 0.00 N ATOM 236 CA ALA A 15 9.411 -3.762 -20.673 1.00 0.00 C ATOM 237 C ALA A 15 10.268 -4.786 -21.422 1.00 0.00 C ATOM 238 O ALA A 15 10.659 -4.525 -22.557 1.00 0.00 O ATOM 239 CB ALA A 15 10.287 -2.758 -19.921 1.00 0.00 C ATOM 0 H ALA A 15 8.522 -3.990 -18.806 1.00 0.00 H new ATOM 0 HA ALA A 15 8.827 -3.239 -21.431 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.983 -2.289 -20.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.657 -1.993 -19.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.847 -3.275 -19.142 1.00 0.00 H new ATOM 245 N LYS A 16 10.573 -5.930 -20.798 1.00 0.00 N ATOM 246 CA LYS A 16 11.308 -6.997 -21.451 1.00 0.00 C ATOM 247 C LYS A 16 10.374 -7.831 -22.338 1.00 0.00 C ATOM 248 O LYS A 16 10.285 -7.592 -23.542 1.00 0.00 O ATOM 249 CB LYS A 16 12.060 -7.837 -20.407 1.00 0.00 C ATOM 250 CG LYS A 16 13.082 -6.985 -19.640 1.00 0.00 C ATOM 251 CD LYS A 16 13.929 -7.834 -18.680 1.00 0.00 C ATOM 252 CE LYS A 16 13.153 -8.314 -17.444 1.00 0.00 C ATOM 253 NZ LYS A 16 12.776 -7.193 -16.564 1.00 0.00 N ATOM 0 H LYS A 16 10.315 -6.133 -19.832 1.00 0.00 H new ATOM 0 HA LYS A 16 12.061 -6.570 -22.114 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.348 -8.274 -19.707 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.570 -8.664 -20.901 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.736 -6.477 -20.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.560 -6.211 -19.077 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.315 -8.701 -19.217 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.791 -7.251 -18.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.255 -8.844 -17.762 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.762 -9.025 -16.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.407 -7.566 -15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.611 -6.602 -16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.043 -6.619 -17.028 1.00 0.00 H new ATOM 267 N GLU A 17 9.691 -8.833 -21.775 1.00 0.00 N ATOM 268 CA GLU A 17 8.976 -9.831 -22.561 1.00 0.00 C ATOM 269 C GLU A 17 7.495 -9.462 -22.654 1.00 0.00 C ATOM 270 O GLU A 17 6.625 -10.136 -22.096 1.00 0.00 O ATOM 271 CB GLU A 17 9.243 -11.232 -21.992 1.00 0.00 C ATOM 272 CG GLU A 17 8.888 -12.358 -22.974 1.00 0.00 C ATOM 273 CD GLU A 17 9.160 -13.736 -22.373 1.00 0.00 C ATOM 274 OE1 GLU A 17 9.010 -13.866 -21.139 1.00 0.00 O ATOM 275 OE2 GLU A 17 9.512 -14.639 -23.162 1.00 0.00 O ATOM 0 H GLU A 17 9.621 -8.971 -20.767 1.00 0.00 H new ATOM 0 HA GLU A 17 9.344 -9.847 -23.587 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.296 -11.313 -21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.667 -11.362 -21.076 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.836 -12.282 -23.250 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.467 -12.239 -23.890 1.00 0.00 H new ATOM 282 N GLY A 18 7.210 -8.400 -23.404 1.00 0.00 N ATOM 283 CA GLY A 18 5.845 -8.050 -23.747 1.00 0.00 C ATOM 284 C GLY A 18 5.773 -6.666 -24.379 1.00 0.00 C ATOM 285 O GLY A 18 5.589 -6.549 -25.589 1.00 0.00 O ATOM 0 H GLY A 18 7.914 -7.768 -23.785 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.440 -8.790 -24.438 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.224 -8.076 -22.852 1.00 0.00 H new ATOM 289 N ASP A 19 5.901 -5.621 -23.563 1.00 0.00 N ATOM 290 CA ASP A 19 5.647 -4.237 -23.946 1.00 0.00 C ATOM 291 C ASP A 19 5.949 -3.385 -22.713 1.00 0.00 C ATOM 292 O ASP A 19 5.671 -3.862 -21.617 1.00 0.00 O ATOM 293 CB ASP A 19 4.163 -4.100 -24.338 1.00 0.00 C ATOM 294 CG ASP A 19 3.654 -2.661 -24.396 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.403 -2.096 -23.308 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.541 -2.143 -25.526 1.00 0.00 O ATOM 0 H ASP A 19 6.193 -5.719 -22.590 1.00 0.00 H new ATOM 0 HA ASP A 19 6.260 -3.923 -24.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.013 -4.565 -25.313 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.558 -4.657 -23.623 1.00 0.00 H new ATOM 301 N PRO A 20 6.447 -2.142 -22.863 1.00 0.00 N ATOM 302 CA PRO A 20 6.639 -1.172 -21.789 1.00 0.00 C ATOM 303 C PRO A 20 5.745 -1.357 -20.563 1.00 0.00 C ATOM 304 O PRO A 20 6.246 -1.379 -19.443 1.00 0.00 O ATOM 305 CB PRO A 20 6.413 0.185 -22.447 1.00 0.00 C ATOM 306 CG PRO A 20 7.007 -0.031 -23.837 1.00 0.00 C ATOM 307 CD PRO A 20 6.794 -1.518 -24.132 1.00 0.00 C ATOM 0 HA PRO A 20 7.637 -1.293 -21.368 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.355 0.445 -22.492 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.917 0.988 -21.909 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.511 0.594 -24.580 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.066 0.228 -23.858 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.999 -1.659 -24.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.696 -1.964 -24.551 1.00 0.00 H new ATOM 315 N ASN A 21 4.430 -1.490 -20.771 1.00 0.00 N ATOM 316 CA ASN A 21 3.501 -1.806 -19.690 1.00 0.00 C ATOM 317 C ASN A 21 2.506 -2.906 -20.076 1.00 0.00 C ATOM 318 O ASN A 21 1.309 -2.778 -19.814 1.00 0.00 O ATOM 319 CB ASN A 21 2.826 -0.520 -19.181 1.00 0.00 C ATOM 320 CG ASN A 21 3.724 0.223 -18.197 1.00 0.00 C ATOM 321 OD1 ASN A 21 3.788 -0.137 -17.024 1.00 0.00 O ATOM 322 ND2 ASN A 21 4.406 1.271 -18.647 1.00 0.00 N ATOM 0 H ASN A 21 3.988 -1.382 -21.684 1.00 0.00 H new ATOM 0 HA ASN A 21 4.068 -2.226 -18.859 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.592 0.129 -20.025 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.881 -0.769 -18.698 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.004 1.801 -18.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.332 1.545 -19.627 1.00 0.00 H new ATOM 329 N GLN A 22 2.993 -4.021 -20.636 1.00 0.00 N ATOM 330 CA GLN A 22 2.194 -5.227 -20.823 1.00 0.00 C ATOM 331 C GLN A 22 3.044 -6.499 -20.680 1.00 0.00 C ATOM 332 O GLN A 22 4.150 -6.554 -21.210 1.00 0.00 O ATOM 333 CB GLN A 22 1.443 -5.160 -22.160 1.00 0.00 C ATOM 334 CG GLN A 22 -0.030 -5.486 -21.931 1.00 0.00 C ATOM 335 CD GLN A 22 -0.878 -5.262 -23.185 1.00 0.00 C ATOM 336 OE1 GLN A 22 -0.527 -4.463 -24.047 1.00 0.00 O ATOM 337 NE2 GLN A 22 -2.001 -5.959 -23.320 1.00 0.00 N ATOM 0 H GLN A 22 3.953 -4.107 -20.970 1.00 0.00 H new ATOM 0 HA GLN A 22 1.448 -5.279 -20.030 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.543 -4.166 -22.597 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.877 -5.865 -22.869 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.124 -6.524 -21.612 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.415 -4.867 -21.120 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.281 -6.620 -22.596 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.583 -5.833 -24.148 1.00 0.00 H new ATOM 346 N LEU A 23 2.540 -7.500 -19.944 1.00 0.00 N ATOM 347 CA LEU A 23 3.247 -8.747 -19.641 1.00 0.00 C ATOM 348 C LEU A 23 2.751 -9.890 -20.526 1.00 0.00 C ATOM 349 O LEU A 23 1.561 -10.199 -20.488 1.00 0.00 O ATOM 350 CB LEU A 23 2.959 -9.174 -18.186 1.00 0.00 C ATOM 351 CG LEU A 23 3.389 -8.200 -17.086 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.893 -8.688 -15.730 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.894 -8.135 -16.944 1.00 0.00 C ATOM 0 H LEU A 23 1.607 -7.461 -19.534 1.00 0.00 H new ATOM 0 HA LEU A 23 4.308 -8.562 -19.808 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.887 -9.347 -18.088 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.453 -10.129 -18.007 1.00 0.00 H new ATOM 0 HG LEU A 23 2.977 -7.231 -17.367 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.205 -7.988 -14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.805 -8.755 -15.743 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.314 -9.671 -15.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.155 -7.432 -16.153 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.279 -9.123 -16.693 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.334 -7.802 -17.884 1.00 0.00 H new ATOM 365 N SER A 24 3.631 -10.580 -21.261 1.00 0.00 N ATOM 366 CA SER A 24 3.232 -11.833 -21.901 1.00 0.00 C ATOM 367 C SER A 24 2.870 -12.854 -20.816 1.00 0.00 C ATOM 368 O SER A 24 3.254 -12.673 -19.666 1.00 0.00 O ATOM 369 CB SER A 24 4.397 -12.372 -22.738 1.00 0.00 C ATOM 370 OG SER A 24 5.509 -12.637 -21.901 1.00 0.00 O ATOM 0 H SER A 24 4.598 -10.300 -21.423 1.00 0.00 H new ATOM 0 HA SER A 24 2.372 -11.659 -22.548 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.094 -13.283 -23.255 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.672 -11.647 -23.504 1.00 0.00 H new ATOM 0 HG SER A 24 6.100 -11.855 -21.884 1.00 0.00 H new ATOM 376 N LYS A 25 2.187 -13.952 -21.150 1.00 0.00 N ATOM 377 CA LYS A 25 2.017 -15.059 -20.210 1.00 0.00 C ATOM 378 C LYS A 25 3.344 -15.537 -19.625 1.00 0.00 C ATOM 379 O LYS A 25 3.418 -15.852 -18.440 1.00 0.00 O ATOM 380 CB LYS A 25 1.204 -16.206 -20.819 1.00 0.00 C ATOM 381 CG LYS A 25 1.728 -16.725 -22.167 1.00 0.00 C ATOM 382 CD LYS A 25 0.915 -17.931 -22.664 1.00 0.00 C ATOM 383 CE LYS A 25 -0.593 -17.667 -22.791 1.00 0.00 C ATOM 384 NZ LYS A 25 -0.885 -16.474 -23.605 1.00 0.00 N ATOM 0 H LYS A 25 1.746 -14.096 -22.058 1.00 0.00 H new ATOM 0 HA LYS A 25 1.438 -14.671 -19.372 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.184 -17.034 -20.110 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.174 -15.873 -20.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.684 -15.926 -22.907 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.776 -17.008 -22.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.301 -18.239 -23.636 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.070 -18.766 -21.980 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.075 -18.536 -23.238 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.022 -17.540 -21.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.676 -16.678 -24.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.141 -15.682 -22.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.044 -16.219 -24.161 1.00 0.00 H new ATOM 398 N GLU A 26 4.401 -15.568 -20.438 1.00 0.00 N ATOM 399 CA GLU A 26 5.727 -15.931 -19.970 1.00 0.00 C ATOM 400 C GLU A 26 6.191 -14.938 -18.902 1.00 0.00 C ATOM 401 O GLU A 26 6.607 -15.337 -17.815 1.00 0.00 O ATOM 402 CB GLU A 26 6.691 -15.986 -21.158 1.00 0.00 C ATOM 403 CG GLU A 26 6.292 -17.089 -22.144 1.00 0.00 C ATOM 404 CD GLU A 26 7.219 -17.104 -23.355 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.934 -16.324 -24.290 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.185 -17.896 -23.322 1.00 0.00 O ATOM 0 H GLU A 26 4.357 -15.343 -21.432 1.00 0.00 H new ATOM 0 HA GLU A 26 5.704 -16.920 -19.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.698 -15.023 -21.669 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.705 -16.164 -20.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.325 -18.057 -21.644 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.264 -16.934 -22.471 1.00 0.00 H new ATOM 413 N GLU A 27 6.088 -13.640 -19.191 1.00 0.00 N ATOM 414 CA GLU A 27 6.482 -12.618 -18.232 1.00 0.00 C ATOM 415 C GLU A 27 5.614 -12.676 -16.971 1.00 0.00 C ATOM 416 O GLU A 27 6.119 -12.555 -15.853 1.00 0.00 O ATOM 417 CB GLU A 27 6.453 -11.244 -18.904 1.00 0.00 C ATOM 418 CG GLU A 27 7.337 -10.239 -18.162 1.00 0.00 C ATOM 419 CD GLU A 27 8.829 -10.516 -18.330 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.354 -11.317 -17.530 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.424 -9.923 -19.251 1.00 0.00 O ATOM 0 H GLU A 27 5.737 -13.277 -20.077 1.00 0.00 H new ATOM 0 HA GLU A 27 7.504 -12.807 -17.904 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.791 -11.335 -19.936 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.428 -10.875 -18.936 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.117 -9.234 -18.523 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.087 -10.258 -17.101 1.00 0.00 H new ATOM 428 N LEU A 28 4.305 -12.871 -17.155 1.00 0.00 N ATOM 429 CA LEU A 28 3.336 -12.977 -16.083 1.00 0.00 C ATOM 430 C LEU A 28 3.706 -14.155 -15.189 1.00 0.00 C ATOM 431 O LEU A 28 3.701 -14.031 -13.967 1.00 0.00 O ATOM 432 CB LEU A 28 1.921 -13.056 -16.677 1.00 0.00 C ATOM 433 CG LEU A 28 0.745 -13.006 -15.685 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.435 -14.377 -15.074 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.919 -11.945 -14.597 1.00 0.00 C ATOM 0 H LEU A 28 3.888 -12.961 -18.082 1.00 0.00 H new ATOM 0 HA LEU A 28 3.347 -12.092 -15.447 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.804 -12.235 -17.384 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.844 -13.981 -17.248 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.118 -12.708 -16.280 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.402 -14.286 -14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.176 -15.078 -15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.311 -14.743 -14.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.056 -11.962 -13.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.823 -12.155 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.002 -10.961 -15.058 1.00 0.00 H new ATOM 447 N LYS A 29 4.078 -15.291 -15.781 1.00 0.00 N ATOM 448 CA LYS A 29 4.658 -16.365 -14.998 1.00 0.00 C ATOM 449 C LYS A 29 5.875 -15.828 -14.246 1.00 0.00 C ATOM 450 O LYS A 29 5.892 -15.891 -13.018 1.00 0.00 O ATOM 451 CB LYS A 29 5.005 -17.560 -15.902 1.00 0.00 C ATOM 452 CG LYS A 29 5.318 -18.827 -15.096 1.00 0.00 C ATOM 453 CD LYS A 29 5.839 -19.936 -16.019 1.00 0.00 C ATOM 454 CE LYS A 29 5.873 -21.300 -15.319 1.00 0.00 C ATOM 455 NZ LYS A 29 6.742 -21.300 -14.128 1.00 0.00 N ATOM 0 H LYS A 29 3.988 -15.483 -16.779 1.00 0.00 H new ATOM 0 HA LYS A 29 3.939 -16.729 -14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.171 -17.757 -16.576 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.864 -17.306 -16.523 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.061 -18.604 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.421 -19.167 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.205 -19.999 -16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.841 -19.680 -16.363 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.861 -21.580 -15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.223 -22.057 -16.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.141 -22.250 -13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.514 -20.616 -14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.184 -21.034 -13.291 1.00 0.00 H new ATOM 469 N LEU A 30 6.872 -15.299 -14.966 1.00 0.00 N ATOM 470 CA LEU A 30 8.155 -14.876 -14.411 1.00 0.00 C ATOM 471 C LEU A 30 7.972 -14.068 -13.122 1.00 0.00 C ATOM 472 O LEU A 30 8.467 -14.462 -12.060 1.00 0.00 O ATOM 473 CB LEU A 30 8.972 -14.082 -15.450 1.00 0.00 C ATOM 474 CG LEU A 30 10.493 -14.278 -15.311 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.259 -13.321 -16.230 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.018 -14.190 -13.874 1.00 0.00 C ATOM 0 H LEU A 30 6.803 -15.152 -15.973 1.00 0.00 H new ATOM 0 HA LEU A 30 8.715 -15.776 -14.157 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.664 -14.384 -16.451 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.739 -13.022 -15.351 1.00 0.00 H new ATOM 0 HG LEU A 30 10.677 -15.305 -15.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.330 -13.482 -16.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.977 -13.508 -17.266 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.015 -12.292 -15.968 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.098 -14.340 -13.871 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.787 -13.208 -13.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.543 -14.960 -13.265 1.00 0.00 H new ATOM 488 N LEU A 31 7.270 -12.931 -13.196 1.00 0.00 N ATOM 489 CA LEU A 31 7.169 -12.081 -12.018 1.00 0.00 C ATOM 490 C LEU A 31 6.361 -12.743 -10.912 1.00 0.00 C ATOM 491 O LEU A 31 6.692 -12.564 -9.743 1.00 0.00 O ATOM 492 CB LEU A 31 6.762 -10.634 -12.322 1.00 0.00 C ATOM 493 CG LEU A 31 5.283 -10.264 -12.415 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.161 -8.750 -12.606 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.657 -10.936 -13.620 1.00 0.00 C ATOM 0 H LEU A 31 6.783 -12.593 -14.026 1.00 0.00 H new ATOM 0 HA LEU A 31 8.181 -11.976 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.207 -10.003 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.226 -10.358 -13.269 1.00 0.00 H new ATOM 0 HG LEU A 31 4.779 -10.586 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.108 -8.475 -12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.616 -8.238 -11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.672 -8.457 -13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.602 -10.667 -13.679 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.167 -10.607 -14.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.751 -12.018 -13.523 1.00 0.00 H new ATOM 507 N LEU A 32 5.348 -13.550 -11.245 1.00 0.00 N ATOM 508 CA LEU A 32 4.652 -14.287 -10.204 1.00 0.00 C ATOM 509 C LEU A 32 5.591 -15.308 -9.568 1.00 0.00 C ATOM 510 O LEU A 32 5.552 -15.456 -8.354 1.00 0.00 O ATOM 511 CB LEU A 32 3.329 -14.878 -10.710 1.00 0.00 C ATOM 512 CG LEU A 32 2.170 -13.880 -10.537 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.503 -12.474 -11.047 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.951 -14.377 -11.307 1.00 0.00 C ATOM 0 H LEU A 32 5.006 -13.702 -12.194 1.00 0.00 H new ATOM 0 HA LEU A 32 4.359 -13.598 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.427 -15.147 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.106 -15.796 -10.166 1.00 0.00 H new ATOM 0 HG LEU A 32 1.977 -13.816 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.645 -11.819 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.360 -12.082 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.742 -12.519 -12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.130 -13.670 -11.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.200 -14.465 -12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.651 -15.352 -10.923 1.00 0.00 H new ATOM 526 N GLN A 33 6.479 -15.966 -10.321 1.00 0.00 N ATOM 527 CA GLN A 33 7.414 -16.888 -9.687 1.00 0.00 C ATOM 528 C GLN A 33 8.319 -16.111 -8.734 1.00 0.00 C ATOM 529 O GLN A 33 8.524 -16.519 -7.594 1.00 0.00 O ATOM 530 CB GLN A 33 8.309 -17.651 -10.680 1.00 0.00 C ATOM 531 CG GLN A 33 7.662 -18.308 -11.901 1.00 0.00 C ATOM 532 CD GLN A 33 6.337 -19.001 -11.611 1.00 0.00 C ATOM 533 OE1 GLN A 33 6.311 -20.190 -11.314 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.224 -18.292 -11.768 1.00 0.00 N ATOM 0 H GLN A 33 6.567 -15.880 -11.334 1.00 0.00 H new ATOM 0 HA GLN A 33 6.804 -17.626 -9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.067 -16.956 -11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.830 -18.430 -10.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.501 -17.548 -12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.357 -19.037 -12.317 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.279 -17.304 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.314 -18.736 -11.641 1.00 0.00 H new ATOM 543 N THR A 34 8.885 -15.008 -9.234 1.00 0.00 N ATOM 544 CA THR A 34 9.879 -14.247 -8.493 1.00 0.00 C ATOM 545 C THR A 34 9.254 -13.666 -7.221 1.00 0.00 C ATOM 546 O THR A 34 9.759 -13.867 -6.120 1.00 0.00 O ATOM 547 CB THR A 34 10.485 -13.132 -9.366 1.00 0.00 C ATOM 548 OG1 THR A 34 10.742 -13.548 -10.700 1.00 0.00 O ATOM 549 CG2 THR A 34 11.811 -12.665 -8.754 1.00 0.00 C ATOM 0 H THR A 34 8.666 -14.626 -10.154 1.00 0.00 H new ATOM 0 HA THR A 34 10.688 -14.920 -8.208 1.00 0.00 H new ATOM 0 HB THR A 34 9.749 -12.329 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.893 -13.703 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.239 -11.876 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.633 -12.282 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.505 -13.504 -8.705 1.00 0.00 H new ATOM 557 N GLU A 35 8.167 -12.911 -7.392 1.00 0.00 N ATOM 558 CA GLU A 35 7.563 -12.111 -6.345 1.00 0.00 C ATOM 559 C GLU A 35 6.568 -12.923 -5.512 1.00 0.00 C ATOM 560 O GLU A 35 6.463 -12.701 -4.307 1.00 0.00 O ATOM 561 CB GLU A 35 6.908 -10.875 -6.988 1.00 0.00 C ATOM 562 CG GLU A 35 7.881 -10.068 -7.859 1.00 0.00 C ATOM 563 CD GLU A 35 9.150 -9.665 -7.116 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.009 -8.996 -6.070 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.237 -10.032 -7.611 1.00 0.00 O ATOM 0 H GLU A 35 7.678 -12.843 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 35 8.334 -11.784 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.062 -11.194 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.511 -10.231 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.151 -10.658 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.378 -9.171 -8.221 1.00 0.00 H new ATOM 572 N PHE A 36 5.827 -13.845 -6.139 1.00 0.00 N ATOM 573 CA PHE A 36 4.690 -14.528 -5.525 1.00 0.00 C ATOM 574 C PHE A 36 4.746 -16.049 -5.731 1.00 0.00 C ATOM 575 O PHE A 36 3.819 -16.621 -6.312 1.00 0.00 O ATOM 576 CB PHE A 36 3.407 -13.946 -6.138 1.00 0.00 C ATOM 577 CG PHE A 36 3.304 -12.427 -6.085 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.587 -11.737 -4.890 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.049 -11.695 -7.258 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.725 -10.338 -4.897 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.154 -10.293 -7.260 1.00 0.00 C ATOM 582 CZ PHE A 36 3.523 -9.617 -6.086 1.00 0.00 C ATOM 0 H PHE A 36 6.006 -14.139 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 36 4.713 -14.365 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.342 -14.264 -7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.548 -14.372 -5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.698 -12.284 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.771 -12.213 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.986 -9.817 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.951 -9.737 -8.163 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.651 -8.545 -6.097 1.00 0.00 H new ATOM 592 N PRO A 37 5.796 -16.733 -5.252 1.00 0.00 N ATOM 593 CA PRO A 37 5.891 -18.178 -5.361 1.00 0.00 C ATOM 594 C PRO A 37 4.707 -18.839 -4.652 1.00 0.00 C ATOM 595 O PRO A 37 4.058 -18.242 -3.795 1.00 0.00 O ATOM 596 CB PRO A 37 7.238 -18.554 -4.737 1.00 0.00 C ATOM 597 CG PRO A 37 7.497 -17.415 -3.752 1.00 0.00 C ATOM 598 CD PRO A 37 6.905 -16.209 -4.479 1.00 0.00 C ATOM 0 HA PRO A 37 5.847 -18.525 -6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.193 -19.520 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.025 -18.623 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.010 -17.590 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.561 -17.286 -3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.568 -15.451 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.646 -15.737 -5.124 1.00 0.00 H new ATOM 606 N SER A 38 4.396 -20.076 -5.042 1.00 0.00 N ATOM 607 CA SER A 38 3.275 -20.868 -4.531 1.00 0.00 C ATOM 608 C SER A 38 1.899 -20.352 -4.967 1.00 0.00 C ATOM 609 O SER A 38 1.028 -21.167 -5.251 1.00 0.00 O ATOM 610 CB SER A 38 3.355 -21.050 -3.009 1.00 0.00 C ATOM 611 OG SER A 38 4.654 -21.468 -2.641 1.00 0.00 O ATOM 0 H SER A 38 4.938 -20.573 -5.749 1.00 0.00 H new ATOM 0 HA SER A 38 3.379 -21.849 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.110 -20.113 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.621 -21.787 -2.683 1.00 0.00 H new ATOM 0 HG SER A 38 4.698 -21.580 -1.668 1.00 0.00 H new ATOM 617 N LEU A 39 1.687 -19.035 -5.056 1.00 0.00 N ATOM 618 CA LEU A 39 0.424 -18.460 -5.520 1.00 0.00 C ATOM 619 C LEU A 39 0.012 -19.060 -6.869 1.00 0.00 C ATOM 620 O LEU A 39 -1.156 -19.372 -7.090 1.00 0.00 O ATOM 621 CB LEU A 39 0.544 -16.929 -5.576 1.00 0.00 C ATOM 622 CG LEU A 39 -0.792 -16.229 -5.885 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.901 -14.929 -5.080 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.929 -15.895 -7.377 1.00 0.00 C ATOM 0 H LEU A 39 2.389 -18.338 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.368 -18.710 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.926 -16.565 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.275 -16.655 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.590 -16.918 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.849 -14.440 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.853 -15.155 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.079 -14.266 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.885 -15.402 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.118 -15.232 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.881 -16.814 -7.961 1.00 0.00 H new ATOM 636 N LEU A 40 0.985 -19.255 -7.764 1.00 0.00 N ATOM 637 CA LEU A 40 0.771 -19.876 -9.065 1.00 0.00 C ATOM 638 C LEU A 40 0.317 -21.345 -9.002 1.00 0.00 C ATOM 639 O LEU A 40 -0.114 -21.881 -10.020 1.00 0.00 O ATOM 640 CB LEU A 40 1.998 -19.693 -9.978 1.00 0.00 C ATOM 641 CG LEU A 40 3.382 -20.184 -9.498 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.148 -19.149 -8.663 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.406 -21.539 -8.784 1.00 0.00 C ATOM 0 H LEU A 40 1.954 -18.981 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.071 -19.344 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.782 -20.196 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.087 -18.629 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 40 3.899 -20.330 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.110 -19.564 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.311 -18.250 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.568 -18.896 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.429 -21.779 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.778 -21.493 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.029 -22.311 -9.455 1.00 0.00 H new ATOM 655 N LYS A 41 0.437 -22.001 -7.842 1.00 0.00 N ATOM 656 CA LYS A 41 0.101 -23.395 -7.578 1.00 0.00 C ATOM 657 C LYS A 41 0.969 -24.384 -8.366 1.00 0.00 C ATOM 658 O LYS A 41 1.711 -25.157 -7.764 1.00 0.00 O ATOM 659 CB LYS A 41 -1.409 -23.621 -7.735 1.00 0.00 C ATOM 660 CG LYS A 41 -1.875 -25.055 -7.441 1.00 0.00 C ATOM 661 CD LYS A 41 -1.502 -25.517 -6.025 1.00 0.00 C ATOM 662 CE LYS A 41 -2.147 -26.872 -5.721 1.00 0.00 C ATOM 663 NZ LYS A 41 -1.790 -27.344 -4.372 1.00 0.00 N ATOM 0 H LYS A 41 0.797 -21.535 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 41 0.346 -23.609 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.936 -22.938 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.698 -23.361 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.956 -25.115 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.432 -25.734 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.419 -25.594 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.832 -24.778 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.231 -26.788 -5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.826 -27.604 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.242 -28.264 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.757 -27.446 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.118 -26.656 -3.665 1.00 0.00 H new ATOM 677 N GLY A 42 0.882 -24.386 -9.696 1.00 0.00 N ATOM 678 CA GLY A 42 1.658 -25.273 -10.548 1.00 0.00 C ATOM 679 C GLY A 42 1.530 -24.825 -12.000 1.00 0.00 C ATOM 680 O GLY A 42 0.486 -24.295 -12.377 1.00 0.00 O ATOM 0 H GLY A 42 0.262 -23.763 -10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.705 -25.263 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.305 -26.299 -10.440 1.00 0.00 H new ATOM 684 N MET A 43 2.590 -25.031 -12.791 1.00 0.00 N ATOM 685 CA MET A 43 2.776 -24.531 -14.153 1.00 0.00 C ATOM 686 C MET A 43 1.470 -24.421 -14.946 1.00 0.00 C ATOM 687 O MET A 43 1.090 -23.327 -15.359 1.00 0.00 O ATOM 688 CB MET A 43 3.810 -25.416 -14.866 1.00 0.00 C ATOM 689 CG MET A 43 4.150 -24.905 -16.273 1.00 0.00 C ATOM 690 SD MET A 43 5.356 -25.889 -17.204 1.00 0.00 S ATOM 691 CE MET A 43 6.828 -25.726 -16.168 1.00 0.00 C ATOM 0 H MET A 43 3.387 -25.585 -12.476 1.00 0.00 H new ATOM 0 HA MET A 43 3.147 -23.508 -14.092 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.721 -25.459 -14.269 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.426 -26.434 -14.935 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.228 -24.853 -16.852 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.530 -23.887 -16.187 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.692 -26.126 -16.698 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.998 -24.674 -15.940 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.683 -26.280 -15.240 1.00 0.00 H new ATOM 701 N SER A 44 0.789 -25.549 -15.161 1.00 0.00 N ATOM 702 CA SER A 44 -0.439 -25.652 -15.933 1.00 0.00 C ATOM 703 C SER A 44 -1.455 -24.561 -15.580 1.00 0.00 C ATOM 704 O SER A 44 -2.089 -23.983 -16.464 1.00 0.00 O ATOM 705 CB SER A 44 -1.022 -27.047 -15.690 1.00 0.00 C ATOM 706 OG SER A 44 0.043 -27.981 -15.613 1.00 0.00 O ATOM 0 H SER A 44 1.094 -26.447 -14.785 1.00 0.00 H new ATOM 0 HA SER A 44 -0.210 -25.505 -16.989 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.601 -27.058 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.703 -27.317 -16.497 1.00 0.00 H new ATOM 0 HG SER A 44 -0.319 -28.878 -15.456 1.00 0.00 H new ATOM 712 N THR A 45 -1.587 -24.261 -14.285 1.00 0.00 N ATOM 713 CA THR A 45 -2.531 -23.282 -13.767 1.00 0.00 C ATOM 714 C THR A 45 -2.342 -21.916 -14.432 1.00 0.00 C ATOM 715 O THR A 45 -3.298 -21.150 -14.516 1.00 0.00 O ATOM 716 CB THR A 45 -2.395 -23.177 -12.240 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.133 -24.449 -11.678 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.671 -22.625 -11.596 1.00 0.00 C ATOM 0 H THR A 45 -1.027 -24.704 -13.557 1.00 0.00 H new ATOM 0 HA THR A 45 -3.540 -23.619 -14.005 1.00 0.00 H new ATOM 0 HB THR A 45 -1.568 -22.495 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.166 -24.609 -11.667 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.537 -22.565 -10.516 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.877 -21.631 -11.992 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.508 -23.286 -11.822 1.00 0.00 H new ATOM 726 N LEU A 46 -1.134 -21.610 -14.929 1.00 0.00 N ATOM 727 CA LEU A 46 -0.858 -20.369 -15.638 1.00 0.00 C ATOM 728 C LEU A 46 -1.862 -20.166 -16.762 1.00 0.00 C ATOM 729 O LEU A 46 -2.279 -19.041 -17.004 1.00 0.00 O ATOM 730 CB LEU A 46 0.564 -20.373 -16.216 1.00 0.00 C ATOM 731 CG LEU A 46 0.935 -19.047 -16.917 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.275 -17.958 -15.895 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.130 -19.299 -17.839 1.00 0.00 C ATOM 0 H LEU A 46 -0.324 -22.224 -14.846 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.945 -19.550 -14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.276 -20.565 -15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.658 -21.193 -16.928 1.00 0.00 H new ATOM 0 HG LEU A 46 0.081 -18.698 -17.497 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.532 -17.036 -16.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.414 -17.782 -15.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.122 -18.280 -15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.404 -18.371 -18.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.975 -19.656 -17.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.864 -20.050 -18.583 1.00 0.00 H new ATOM 745 N ASP A 47 -2.248 -21.233 -17.463 1.00 0.00 N ATOM 746 CA ASP A 47 -3.201 -21.112 -18.552 1.00 0.00 C ATOM 747 C ASP A 47 -4.500 -20.482 -18.045 1.00 0.00 C ATOM 748 O ASP A 47 -4.962 -19.467 -18.564 1.00 0.00 O ATOM 749 CB ASP A 47 -3.445 -22.500 -19.147 1.00 0.00 C ATOM 750 CG ASP A 47 -4.501 -22.447 -20.245 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.122 -22.081 -21.377 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.668 -22.767 -19.926 1.00 0.00 O ATOM 0 H ASP A 47 -1.915 -22.182 -17.293 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.805 -20.461 -19.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.513 -22.894 -19.553 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.766 -23.185 -18.362 1.00 0.00 H new ATOM 757 N GLU A 48 -5.062 -21.087 -16.999 1.00 0.00 N ATOM 758 CA GLU A 48 -6.325 -20.666 -16.421 1.00 0.00 C ATOM 759 C GLU A 48 -6.161 -19.267 -15.834 1.00 0.00 C ATOM 760 O GLU A 48 -6.877 -18.338 -16.200 1.00 0.00 O ATOM 761 CB GLU A 48 -6.750 -21.669 -15.342 1.00 0.00 C ATOM 762 CG GLU A 48 -6.926 -23.086 -15.905 1.00 0.00 C ATOM 763 CD GLU A 48 -7.255 -24.076 -14.795 1.00 0.00 C ATOM 764 OE1 GLU A 48 -6.310 -24.427 -14.054 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.442 -24.456 -14.700 1.00 0.00 O ATOM 0 H GLU A 48 -4.644 -21.890 -16.529 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.101 -20.636 -17.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.003 -21.685 -14.549 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.686 -21.340 -14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.723 -23.090 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.013 -23.395 -16.414 1.00 0.00 H new ATOM 772 N LEU A 49 -5.183 -19.127 -14.938 1.00 0.00 N ATOM 773 CA LEU A 49 -4.860 -17.888 -14.258 1.00 0.00 C ATOM 774 C LEU A 49 -4.733 -16.760 -15.278 1.00 0.00 C ATOM 775 O LEU A 49 -5.448 -15.768 -15.180 1.00 0.00 O ATOM 776 CB LEU A 49 -3.596 -18.111 -13.411 1.00 0.00 C ATOM 777 CG LEU A 49 -3.200 -16.921 -12.519 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.477 -17.439 -11.269 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.257 -15.960 -13.251 1.00 0.00 C ATOM 0 H LEU A 49 -4.579 -19.902 -14.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.654 -17.585 -13.575 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.749 -18.986 -12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.765 -18.340 -14.078 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.113 -16.388 -12.252 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.196 -16.597 -10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.139 -18.104 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.581 -17.984 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.998 -15.132 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.350 -16.491 -13.541 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.751 -15.573 -14.142 1.00 0.00 H new ATOM 791 N PHE A 50 -3.862 -16.917 -16.279 1.00 0.00 N ATOM 792 CA PHE A 50 -3.672 -15.914 -17.313 1.00 0.00 C ATOM 793 C PHE A 50 -4.982 -15.636 -18.044 1.00 0.00 C ATOM 794 O PHE A 50 -5.325 -14.476 -18.235 1.00 0.00 O ATOM 795 CB PHE A 50 -2.568 -16.329 -18.292 1.00 0.00 C ATOM 796 CG PHE A 50 -2.075 -15.191 -19.167 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.165 -14.262 -18.635 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.505 -15.057 -20.500 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.618 -13.257 -19.448 1.00 0.00 C ATOM 800 CE2 PHE A 50 -1.943 -14.058 -21.317 1.00 0.00 C ATOM 801 CZ PHE A 50 -0.972 -13.184 -20.799 1.00 0.00 C ATOM 0 H PHE A 50 -3.274 -17.743 -16.389 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.353 -14.990 -16.831 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.727 -16.734 -17.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.941 -17.131 -18.929 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.885 -14.322 -17.594 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.263 -15.718 -20.895 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.075 -12.541 -19.031 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.259 -13.963 -22.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.500 -12.457 -21.443 1.00 0.00 H new ATOM 811 N GLU A 51 -5.725 -16.674 -18.443 1.00 0.00 N ATOM 812 CA GLU A 51 -6.981 -16.475 -19.157 1.00 0.00 C ATOM 813 C GLU A 51 -7.967 -15.642 -18.329 1.00 0.00 C ATOM 814 O GLU A 51 -8.634 -14.755 -18.857 1.00 0.00 O ATOM 815 CB GLU A 51 -7.568 -17.838 -19.558 1.00 0.00 C ATOM 816 CG GLU A 51 -8.790 -17.717 -20.483 1.00 0.00 C ATOM 817 CD GLU A 51 -8.440 -17.080 -21.826 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.690 -17.735 -22.581 1.00 0.00 O ATOM 819 OE2 GLU A 51 -8.930 -15.956 -22.071 1.00 0.00 O ATOM 0 H GLU A 51 -5.477 -17.651 -18.283 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.787 -15.907 -20.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.798 -18.426 -20.057 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.853 -18.384 -18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.214 -18.707 -20.652 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.558 -17.121 -19.990 1.00 0.00 H new ATOM 826 N GLU A 52 -8.062 -15.930 -17.031 1.00 0.00 N ATOM 827 CA GLU A 52 -8.999 -15.263 -16.135 1.00 0.00 C ATOM 828 C GLU A 52 -8.558 -13.817 -15.916 1.00 0.00 C ATOM 829 O GLU A 52 -9.345 -12.879 -16.022 1.00 0.00 O ATOM 830 CB GLU A 52 -9.048 -16.017 -14.799 1.00 0.00 C ATOM 831 CG GLU A 52 -9.720 -17.389 -14.933 1.00 0.00 C ATOM 832 CD GLU A 52 -9.512 -18.218 -13.670 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.210 -17.919 -12.676 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.647 -19.121 -13.710 1.00 0.00 O ATOM 0 H GLU A 52 -7.487 -16.636 -16.572 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.995 -15.261 -16.577 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.035 -16.146 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.589 -15.419 -14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.786 -17.260 -15.118 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.309 -17.918 -15.793 1.00 0.00 H new ATOM 841 N LEU A 53 -7.282 -13.662 -15.572 1.00 0.00 N ATOM 842 CA LEU A 53 -6.639 -12.397 -15.271 1.00 0.00 C ATOM 843 C LEU A 53 -6.736 -11.470 -16.485 1.00 0.00 C ATOM 844 O LEU A 53 -7.218 -10.341 -16.389 1.00 0.00 O ATOM 845 CB LEU A 53 -5.187 -12.734 -14.902 1.00 0.00 C ATOM 846 CG LEU A 53 -4.346 -11.648 -14.228 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.928 -12.217 -14.100 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.302 -10.329 -14.991 1.00 0.00 C ATOM 0 H LEU A 53 -6.644 -14.454 -15.494 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.116 -11.869 -14.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.203 -13.601 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.672 -13.037 -15.814 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.799 -11.406 -13.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.282 -11.480 -13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.953 -13.123 -13.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.540 -12.453 -15.091 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.686 -9.614 -14.446 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.876 -10.495 -15.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.313 -9.934 -15.093 1.00 0.00 H new ATOM 860 N ASP A 54 -6.263 -11.943 -17.639 1.00 0.00 N ATOM 861 CA ASP A 54 -6.060 -11.155 -18.845 1.00 0.00 C ATOM 862 C ASP A 54 -7.363 -10.949 -19.631 1.00 0.00 C ATOM 863 O ASP A 54 -7.397 -11.102 -20.852 1.00 0.00 O ATOM 864 CB ASP A 54 -4.987 -11.847 -19.700 1.00 0.00 C ATOM 865 CG ASP A 54 -4.353 -10.911 -20.719 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.696 -9.710 -20.698 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.518 -11.411 -21.501 1.00 0.00 O ATOM 0 H ASP A 54 -6.003 -12.922 -17.759 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.723 -10.157 -18.566 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.211 -12.247 -19.048 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.434 -12.694 -20.220 1.00 0.00 H new ATOM 872 N LYS A 55 -8.426 -10.583 -18.911 1.00 0.00 N ATOM 873 CA LYS A 55 -9.802 -10.494 -19.376 1.00 0.00 C ATOM 874 C LYS A 55 -9.958 -9.808 -20.738 1.00 0.00 C ATOM 875 O LYS A 55 -10.769 -10.240 -21.553 1.00 0.00 O ATOM 876 CB LYS A 55 -10.650 -9.815 -18.285 1.00 0.00 C ATOM 877 CG LYS A 55 -10.112 -8.441 -17.851 1.00 0.00 C ATOM 878 CD LYS A 55 -10.951 -7.868 -16.704 1.00 0.00 C ATOM 879 CE LYS A 55 -10.384 -6.512 -16.265 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.174 -5.931 -15.165 1.00 0.00 N ATOM 0 H LYS A 55 -8.338 -10.326 -17.928 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.161 -11.509 -19.547 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.670 -9.697 -18.651 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.697 -10.469 -17.414 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.073 -8.535 -17.536 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.128 -7.755 -18.698 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.987 -7.752 -17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.952 -8.561 -15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.349 -6.634 -15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.378 -5.827 -17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.766 -5.015 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.156 -5.793 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.159 -6.575 -14.349 1.00 0.00 H new ATOM 894 N ALA A 56 -9.214 -8.722 -20.967 1.00 0.00 N ATOM 895 CA ALA A 56 -9.287 -7.931 -22.186 1.00 0.00 C ATOM 896 C ALA A 56 -8.100 -8.231 -23.100 1.00 0.00 C ATOM 897 O ALA A 56 -8.262 -8.373 -24.309 1.00 0.00 O ATOM 898 CB ALA A 56 -9.326 -6.444 -21.818 1.00 0.00 C ATOM 0 H ALA A 56 -8.534 -8.367 -20.295 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.195 -8.192 -22.729 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.381 -5.845 -22.727 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.201 -6.245 -21.199 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.424 -6.182 -21.265 1.00 0.00 H new ATOM 904 N GLY A 57 -6.897 -8.285 -22.527 1.00 0.00 N ATOM 905 CA GLY A 57 -5.658 -8.344 -23.284 1.00 0.00 C ATOM 906 C GLY A 57 -5.263 -9.752 -23.729 1.00 0.00 C ATOM 907 O GLY A 57 -4.261 -9.872 -24.433 1.00 0.00 O ATOM 0 H GLY A 57 -6.760 -8.289 -21.516 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.753 -7.710 -24.165 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.854 -7.928 -22.677 1.00 0.00 H new ATOM 911 N ASP A 58 -6.015 -10.787 -23.305 1.00 0.00 N ATOM 912 CA ASP A 58 -5.872 -12.216 -23.604 1.00 0.00 C ATOM 913 C ASP A 58 -4.733 -12.545 -24.574 1.00 0.00 C ATOM 914 O ASP A 58 -4.952 -12.807 -25.754 1.00 0.00 O ATOM 915 CB ASP A 58 -7.214 -12.788 -24.080 1.00 0.00 C ATOM 916 CG ASP A 58 -7.145 -14.297 -24.319 1.00 0.00 C ATOM 917 OD1 ASP A 58 -6.326 -14.952 -23.637 1.00 0.00 O ATOM 918 OD2 ASP A 58 -7.916 -14.769 -25.183 1.00 0.00 O ATOM 0 H ASP A 58 -6.810 -10.623 -22.688 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.584 -12.703 -22.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.982 -12.574 -23.337 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.514 -12.289 -25.002 1.00 0.00 H new ATOM 923 N GLY A 59 -3.511 -12.517 -24.048 1.00 0.00 N ATOM 924 CA GLY A 59 -2.282 -12.576 -24.816 1.00 0.00 C ATOM 925 C GLY A 59 -1.212 -11.788 -24.068 1.00 0.00 C ATOM 926 O GLY A 59 -0.104 -12.288 -23.869 1.00 0.00 O ATOM 0 H GLY A 59 -3.350 -12.450 -23.043 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.967 -13.611 -24.950 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.435 -12.158 -25.811 1.00 0.00 H new ATOM 930 N GLU A 60 -1.560 -10.573 -23.626 1.00 0.00 N ATOM 931 CA GLU A 60 -0.681 -9.684 -22.879 1.00 0.00 C ATOM 932 C GLU A 60 -1.461 -9.000 -21.742 1.00 0.00 C ATOM 933 O GLU A 60 -2.469 -8.349 -22.001 1.00 0.00 O ATOM 934 CB GLU A 60 -0.127 -8.624 -23.845 1.00 0.00 C ATOM 935 CG GLU A 60 0.828 -9.151 -24.926 1.00 0.00 C ATOM 936 CD GLU A 60 2.200 -9.533 -24.377 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.698 -8.783 -23.510 1.00 0.00 O ATOM 938 OE2 GLU A 60 2.739 -10.556 -24.852 1.00 0.00 O ATOM 0 H GLU A 60 -2.486 -10.177 -23.786 1.00 0.00 H new ATOM 0 HA GLU A 60 0.137 -10.255 -22.440 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.966 -8.130 -24.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.394 -7.864 -23.263 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.380 -10.021 -25.406 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.950 -8.390 -25.697 1.00 0.00 H new ATOM 945 N VAL A 61 -0.977 -9.076 -20.497 1.00 0.00 N ATOM 946 CA VAL A 61 -1.634 -8.523 -19.311 1.00 0.00 C ATOM 947 C VAL A 61 -1.208 -7.071 -19.096 1.00 0.00 C ATOM 948 O VAL A 61 -0.029 -6.803 -18.862 1.00 0.00 O ATOM 949 CB VAL A 61 -1.296 -9.398 -18.087 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.617 -8.740 -16.738 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.118 -10.680 -18.181 1.00 0.00 C ATOM 0 H VAL A 61 -0.093 -9.537 -20.283 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.715 -8.529 -19.453 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.220 -9.571 -18.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.350 -9.420 -15.929 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.047 -7.816 -16.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.682 -8.516 -16.687 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.897 -11.318 -17.325 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.179 -10.432 -18.184 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.866 -11.207 -19.101 1.00 0.00 H new ATOM 961 N SER A 62 -2.172 -6.147 -19.158 1.00 0.00 N ATOM 962 CA SER A 62 -1.990 -4.736 -18.824 1.00 0.00 C ATOM 963 C SER A 62 -2.052 -4.523 -17.315 1.00 0.00 C ATOM 964 O SER A 62 -2.690 -5.302 -16.612 1.00 0.00 O ATOM 965 CB SER A 62 -3.065 -3.908 -19.534 1.00 0.00 C ATOM 966 OG SER A 62 -3.014 -4.132 -20.926 1.00 0.00 O ATOM 0 H SER A 62 -3.124 -6.368 -19.450 1.00 0.00 H new ATOM 0 HA SER A 62 -1.005 -4.412 -19.161 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.050 -4.174 -19.152 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.917 -2.849 -19.323 1.00 0.00 H new ATOM 0 HG SER A 62 -3.707 -3.599 -21.369 1.00 0.00 H new ATOM 972 N PHE A 63 -1.437 -3.447 -16.810 1.00 0.00 N ATOM 973 CA PHE A 63 -1.419 -3.167 -15.374 1.00 0.00 C ATOM 974 C PHE A 63 -2.833 -3.106 -14.780 1.00 0.00 C ATOM 975 O PHE A 63 -3.058 -3.495 -13.635 1.00 0.00 O ATOM 976 CB PHE A 63 -0.641 -1.882 -15.059 1.00 0.00 C ATOM 977 CG PHE A 63 -0.410 -1.682 -13.571 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.378 -2.606 -12.858 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.030 -0.623 -12.881 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.525 -2.489 -11.466 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.854 -0.486 -11.492 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.083 -1.423 -10.783 1.00 0.00 C ATOM 0 H PHE A 63 -0.945 -2.757 -17.377 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.900 -4.001 -14.901 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.321 -1.911 -15.570 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.187 -1.026 -15.455 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.872 -3.409 -13.384 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.642 0.086 -13.419 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.105 -3.219 -10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.312 0.341 -10.970 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.042 -1.324 -9.715 1.00 0.00 H new ATOM 992 N GLU A 64 -3.806 -2.630 -15.561 1.00 0.00 N ATOM 993 CA GLU A 64 -5.214 -2.671 -15.181 1.00 0.00 C ATOM 994 C GLU A 64 -5.631 -4.091 -14.806 1.00 0.00 C ATOM 995 O GLU A 64 -6.265 -4.318 -13.780 1.00 0.00 O ATOM 996 CB GLU A 64 -6.069 -2.118 -16.330 1.00 0.00 C ATOM 997 CG GLU A 64 -7.551 -2.012 -15.947 1.00 0.00 C ATOM 998 CD GLU A 64 -8.393 -1.566 -17.136 1.00 0.00 C ATOM 999 OE1 GLU A 64 -8.507 -0.336 -17.323 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -8.890 -2.467 -17.845 1.00 0.00 O ATOM 0 H GLU A 64 -3.637 -2.206 -16.473 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.370 -2.047 -14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.698 -1.134 -16.617 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.966 -2.764 -17.202 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.907 -2.977 -15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.668 -1.303 -15.128 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.263 -5.051 -15.650 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.602 -6.442 -15.440 1.00 0.00 C ATOM 1009 C GLU A 65 -4.745 -6.979 -14.292 1.00 0.00 C ATOM 1010 O GLU A 65 -5.244 -7.675 -13.411 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.408 -7.192 -16.761 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.304 -6.595 -17.857 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.972 -7.174 -19.222 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.860 -6.866 -19.706 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.842 -7.897 -19.756 1.00 0.00 O ATOM 0 H GLU A 65 -4.721 -4.879 -16.497 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.644 -6.578 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.363 -7.136 -17.067 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.645 -8.247 -16.625 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.350 -6.792 -17.621 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.181 -5.512 -17.880 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.461 -6.606 -14.258 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.555 -7.012 -13.192 1.00 0.00 C ATOM 1024 C PHE A 66 -3.139 -6.653 -11.829 1.00 0.00 C ATOM 1025 O PHE A 66 -3.123 -7.470 -10.918 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.172 -6.385 -13.369 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.111 -7.000 -12.477 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.483 -8.225 -12.833 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.282 -6.358 -11.288 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.523 -8.756 -12.053 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.355 -6.864 -10.535 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.999 -8.045 -10.938 1.00 0.00 C ATOM 0 H PHE A 66 -3.027 -6.016 -14.968 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.438 -8.094 -13.246 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.865 -6.489 -14.410 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.236 -5.317 -13.161 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.139 -8.757 -13.707 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.242 -5.475 -10.954 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.957 -9.711 -12.310 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.684 -6.345 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.858 -8.406 -10.392 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.696 -5.450 -11.683 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.327 -5.043 -10.436 1.00 0.00 C ATOM 1044 C GLN A 67 -5.456 -5.993 -10.009 1.00 0.00 C ATOM 1045 O GLN A 67 -5.657 -6.192 -8.812 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.797 -3.591 -10.533 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.593 -2.643 -10.439 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.955 -1.261 -10.956 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.144 -0.320 -10.193 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.054 -1.137 -12.273 1.00 0.00 N ATOM 0 H GLN A 67 -3.721 -4.742 -12.417 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.578 -5.106 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.323 -3.432 -11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.504 -3.375 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.259 -2.573 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.761 -3.046 -11.016 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.889 -1.944 -12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.295 -0.235 -12.684 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.165 -6.629 -10.948 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.112 -7.684 -10.586 1.00 0.00 C ATOM 1061 C VAL A 68 -6.364 -8.834 -9.895 1.00 0.00 C ATOM 1062 O VAL A 68 -6.842 -9.389 -8.907 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.919 -8.174 -11.805 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.016 -9.158 -11.373 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.584 -7.004 -12.543 1.00 0.00 C ATOM 0 H VAL A 68 -6.102 -6.435 -11.947 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.839 -7.273 -9.886 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.214 -8.670 -12.472 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.572 -9.490 -12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.560 -10.019 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.695 -8.664 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.145 -7.384 -13.397 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.262 -6.485 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.818 -6.311 -12.891 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.169 -9.175 -10.382 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.302 -10.134 -9.711 1.00 0.00 C ATOM 1077 C LEU A 69 -3.898 -9.576 -8.342 1.00 0.00 C ATOM 1078 O LEU A 69 -4.014 -10.273 -7.342 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.101 -10.489 -10.609 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.489 -11.891 -10.420 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.754 -12.039 -9.088 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.501 -13.035 -10.565 1.00 0.00 C ATOM 0 H LEU A 69 -4.781 -8.795 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.831 -11.070 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.412 -10.390 -11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.318 -9.750 -10.439 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.771 -11.975 -11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.344 -13.046 -9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.944 -11.312 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.450 -11.865 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.995 -13.989 -10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.287 -12.923 -9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.941 -13.007 -11.562 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.475 -8.309 -8.262 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.112 -7.673 -6.992 1.00 0.00 C ATOM 1096 C VAL A 70 -4.252 -7.764 -5.966 1.00 0.00 C ATOM 1097 O VAL A 70 -4.007 -7.979 -4.778 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.638 -6.223 -7.194 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.220 -5.582 -5.867 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.430 -6.162 -8.138 1.00 0.00 C ATOM 0 H VAL A 70 -3.375 -7.698 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.268 -8.229 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.481 -5.681 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.891 -4.558 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.068 -5.576 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.403 -6.155 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.117 -5.125 -8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.609 -6.741 -7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.705 -6.576 -9.108 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.502 -7.622 -6.409 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.656 -7.831 -5.545 1.00 0.00 C ATOM 1112 C LYS A 71 -6.638 -9.248 -4.954 1.00 0.00 C ATOM 1113 O LYS A 71 -6.972 -9.426 -3.786 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.946 -7.544 -6.324 1.00 0.00 C ATOM 1115 CG LYS A 71 -9.181 -7.539 -5.412 1.00 0.00 C ATOM 1116 CD LYS A 71 -10.457 -7.138 -6.169 1.00 0.00 C ATOM 1117 CE LYS A 71 -10.761 -8.020 -7.388 1.00 0.00 C ATOM 1118 NZ LYS A 71 -10.785 -9.453 -7.045 1.00 0.00 N ATOM 0 H LYS A 71 -5.738 -7.362 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.613 -7.137 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.861 -6.579 -6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.074 -8.296 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.314 -8.530 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.018 -6.847 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.303 -7.180 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.363 -6.103 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.724 -7.733 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.010 -7.845 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.125 -10.000 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.825 -9.766 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.421 -9.606 -6.237 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.245 -10.252 -5.745 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.135 -11.630 -5.284 1.00 0.00 C ATOM 1134 C LYS A 72 -4.930 -11.788 -4.348 1.00 0.00 C ATOM 1135 O LYS A 72 -5.093 -12.276 -3.230 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.085 -12.605 -6.472 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.378 -12.541 -7.300 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.271 -13.300 -8.630 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.919 -14.780 -8.446 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.935 -15.497 -9.733 1.00 0.00 N ATOM 0 H LYS A 72 -5.995 -10.126 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.027 -11.880 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.232 -12.365 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.935 -13.621 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.199 -12.956 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.624 -11.498 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.217 -13.221 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.512 -12.826 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.933 -14.868 -7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.629 -15.243 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.693 -16.496 -9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.883 -15.432 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.240 -15.069 -10.377 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.728 -11.351 -4.762 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.551 -11.395 -3.882 1.00 0.00 C ATOM 1156 C ILE A 73 -2.844 -10.690 -2.557 1.00 0.00 C ATOM 1157 O ILE A 73 -2.290 -11.041 -1.520 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.246 -10.875 -4.528 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.963 -9.385 -4.276 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.107 -11.241 -6.010 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.207 -8.827 -5.088 1.00 0.00 C ATOM 0 H ILE A 73 -3.548 -10.968 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.362 -12.451 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.463 -11.417 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.860 -8.811 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.758 -9.239 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.168 -10.844 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.114 -12.325 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.939 -10.814 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.342 -7.771 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.117 -9.373 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.003 -8.938 -6.152 1.00 0.00 H new ATOM 1173 N SER A 74 -3.731 -9.698 -2.632 1.00 0.00 N ATOM 1174 CA SER A 74 -4.233 -8.887 -1.539 1.00 0.00 C ATOM 1175 C SER A 74 -3.175 -7.851 -1.177 1.00 0.00 C ATOM 1176 O SER A 74 -2.929 -7.578 -0.005 1.00 0.00 O ATOM 1177 CB SER A 74 -4.698 -9.756 -0.361 1.00 0.00 C ATOM 1178 OG SER A 74 -5.621 -10.736 -0.813 1.00 0.00 O ATOM 0 H SER A 74 -4.143 -9.426 -3.525 1.00 0.00 H new ATOM 0 HA SER A 74 -5.129 -8.346 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.840 -10.241 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.163 -9.131 0.401 1.00 0.00 H new ATOM 0 HG SER A 74 -5.216 -11.258 -1.537 1.00 0.00 H new ATOM 1184 N GLN A 75 -2.580 -7.257 -2.221 1.00 0.00 N ATOM 1185 CA GLN A 75 -1.585 -6.210 -2.146 1.00 0.00 C ATOM 1186 C GLN A 75 -0.486 -6.502 -1.110 1.00 0.00 C ATOM 1187 O GLN A 75 0.055 -5.522 -0.548 1.00 0.00 O ATOM 1188 CB GLN A 75 -2.369 -4.902 -1.974 1.00 0.00 C ATOM 1189 CG GLN A 75 -1.585 -3.597 -2.053 1.00 0.00 C ATOM 1190 CD GLN A 75 -0.510 -3.546 -3.133 1.00 0.00 C ATOM 1191 OE1 GLN A 75 -0.725 -3.020 -4.217 1.00 0.00 O ATOM 1192 NE2 GLN A 75 0.678 -4.060 -2.829 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.130 -7.692 -0.967 1.00 0.00 O ATOM 0 H GLN A 75 -2.800 -7.516 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.986 -6.134 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.148 -4.874 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.871 -4.935 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.287 -2.781 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.114 -3.416 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.828 -4.492 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.439 -4.022 -3.507 1.00 0.00 H new TER 1202 GLN A 75