USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 34 ASN : amide:sc= 0.935 K(o=1.8,f=-5.7!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -154:sc= 0.872 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 23 GLN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.127 USER MOD Single : A 30 GLN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 31 CYS SG : rot -33:sc= 0.00475 USER MOD Single : A 36 ASN : amide:sc= -16.8! C(o=-17!,f=-23!) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0151) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -2.39 (180deg=-2.65) USER MOD Single : A 47 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-8.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.44! C(o=-2.3!,f=-0.44!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.0871 (180deg=-0.34) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -7.927 -12.112 -3.629 1.00 0.00 N ATOM 2 CA GLU A 16 -8.907 -11.176 -4.253 1.00 0.00 C ATOM 3 C GLU A 16 -8.690 -9.755 -3.725 1.00 0.00 C ATOM 4 O GLU A 16 -9.420 -8.841 -4.054 1.00 0.00 O ATOM 5 CB GLU A 16 -10.281 -11.699 -3.832 1.00 0.00 C ATOM 6 CG GLU A 16 -10.701 -12.841 -4.761 1.00 0.00 C ATOM 7 CD GLU A 16 -11.942 -13.533 -4.193 1.00 0.00 C ATOM 8 OE1 GLU A 16 -11.994 -13.718 -2.987 1.00 0.00 O ATOM 9 OE2 GLU A 16 -12.819 -13.866 -4.972 1.00 0.00 O ATOM 0 HA GLU A 16 -8.803 -11.133 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.248 -12.049 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.016 -10.895 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.912 -12.454 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.887 -13.558 -4.864 1.00 0.00 H new ATOM 16 N GLU A 17 -7.691 -9.560 -2.906 1.00 0.00 N ATOM 17 CA GLU A 17 -7.429 -8.197 -2.359 1.00 0.00 C ATOM 18 C GLU A 17 -8.711 -7.618 -1.752 1.00 0.00 C ATOM 19 O GLU A 17 -9.737 -8.267 -1.707 1.00 0.00 O ATOM 20 CB GLU A 17 -6.982 -7.366 -3.564 1.00 0.00 C ATOM 21 CG GLU A 17 -5.462 -7.200 -3.537 1.00 0.00 C ATOM 22 CD GLU A 17 -5.095 -5.797 -4.024 1.00 0.00 C ATOM 23 OE1 GLU A 17 -5.503 -4.844 -3.380 1.00 0.00 O ATOM 24 OE2 GLU A 17 -4.412 -5.698 -5.030 1.00 0.00 O ATOM 0 H GLU A 17 -7.046 -10.285 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.678 -8.205 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.288 -7.854 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.465 -6.389 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.086 -7.356 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.992 -7.952 -4.171 1.00 0.00 H new ATOM 31 N GLU A 18 -8.660 -6.401 -1.282 1.00 0.00 N ATOM 32 CA GLU A 18 -9.877 -5.786 -0.677 1.00 0.00 C ATOM 33 C GLU A 18 -10.553 -4.847 -1.680 1.00 0.00 C ATOM 34 O GLU A 18 -10.353 -4.950 -2.874 1.00 0.00 O ATOM 35 CB GLU A 18 -9.368 -5.001 0.531 1.00 0.00 C ATOM 36 CG GLU A 18 -10.251 -5.303 1.744 1.00 0.00 C ATOM 37 CD GLU A 18 -10.033 -6.750 2.191 1.00 0.00 C ATOM 38 OE1 GLU A 18 -9.285 -7.449 1.527 1.00 0.00 O ATOM 39 OE2 GLU A 18 -10.618 -7.135 3.191 1.00 0.00 O ATOM 0 H GLU A 18 -7.831 -5.807 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.618 -6.534 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.334 -5.271 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.380 -3.933 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.012 -4.620 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.299 -5.144 1.492 1.00 0.00 H new ATOM 46 N SER A 19 -11.355 -3.934 -1.203 1.00 0.00 N ATOM 47 CA SER A 19 -12.046 -2.992 -2.130 1.00 0.00 C ATOM 48 C SER A 19 -11.023 -2.252 -2.996 1.00 0.00 C ATOM 49 O SER A 19 -9.835 -2.488 -2.912 1.00 0.00 O ATOM 50 CB SER A 19 -12.784 -2.011 -1.220 1.00 0.00 C ATOM 51 OG SER A 19 -13.662 -1.214 -2.003 1.00 0.00 O ATOM 0 H SER A 19 -11.562 -3.800 -0.213 1.00 0.00 H new ATOM 0 HA SER A 19 -12.724 -3.508 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.347 -2.554 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.070 -1.377 -0.694 1.00 0.00 H new ATOM 0 HG SER A 19 -14.138 -0.585 -1.422 1.00 0.00 H new ATOM 57 N PHE A 20 -11.479 -1.358 -3.830 1.00 0.00 N ATOM 58 CA PHE A 20 -10.539 -0.599 -4.704 1.00 0.00 C ATOM 59 C PHE A 20 -11.036 0.839 -4.883 1.00 0.00 C ATOM 60 O PHE A 20 -11.425 1.242 -5.961 1.00 0.00 O ATOM 61 CB PHE A 20 -10.554 -1.344 -6.040 1.00 0.00 C ATOM 62 CG PHE A 20 -9.684 -2.575 -5.943 1.00 0.00 C ATOM 63 CD1 PHE A 20 -8.294 -2.443 -5.838 1.00 0.00 C ATOM 64 CD2 PHE A 20 -10.266 -3.849 -5.960 1.00 0.00 C ATOM 65 CE1 PHE A 20 -7.487 -3.583 -5.751 1.00 0.00 C ATOM 66 CE2 PHE A 20 -9.458 -4.989 -5.871 1.00 0.00 C ATOM 67 CZ PHE A 20 -8.069 -4.856 -5.767 1.00 0.00 C ATOM 0 H PHE A 20 -12.464 -1.120 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.535 -0.539 -4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.574 -1.627 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.192 -0.692 -6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.845 -1.461 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.338 -3.952 -6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.415 -3.481 -5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.907 -5.971 -5.883 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.446 -5.736 -5.699 1.00 0.00 H new ATOM 77 N GLY A 21 -11.027 1.613 -3.833 1.00 0.00 N ATOM 78 CA GLY A 21 -11.504 3.022 -3.938 1.00 0.00 C ATOM 79 C GLY A 21 -10.339 3.931 -4.338 1.00 0.00 C ATOM 80 O GLY A 21 -9.583 3.611 -5.234 1.00 0.00 O ATOM 0 H GLY A 21 -10.710 1.331 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.303 3.092 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.921 3.347 -2.985 1.00 0.00 H new ATOM 84 N PRO A 22 -10.236 5.042 -3.658 1.00 0.00 N ATOM 85 CA PRO A 22 -9.155 6.015 -3.947 1.00 0.00 C ATOM 86 C PRO A 22 -7.816 5.505 -3.400 1.00 0.00 C ATOM 87 O PRO A 22 -6.765 5.815 -3.922 1.00 0.00 O ATOM 88 CB PRO A 22 -9.603 7.275 -3.214 1.00 0.00 C ATOM 89 CG PRO A 22 -10.493 6.791 -2.111 1.00 0.00 C ATOM 90 CD PRO A 22 -11.109 5.492 -2.568 1.00 0.00 C ATOM 0 HA PRO A 22 -9.000 6.183 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.749 7.825 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.136 7.951 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.923 6.644 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.267 7.527 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.144 4.762 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.133 5.636 -2.912 1.00 0.00 H new ATOM 98 N GLN A 23 -7.846 4.718 -2.360 1.00 0.00 N ATOM 99 CA GLN A 23 -6.575 4.182 -1.792 1.00 0.00 C ATOM 100 C GLN A 23 -5.533 5.279 -1.648 1.00 0.00 C ATOM 101 O GLN A 23 -4.384 5.091 -1.994 1.00 0.00 O ATOM 102 CB GLN A 23 -6.113 3.125 -2.794 1.00 0.00 C ATOM 103 CG GLN A 23 -6.302 1.736 -2.182 1.00 0.00 C ATOM 104 CD GLN A 23 -7.782 1.515 -1.867 1.00 0.00 C ATOM 105 OE1 GLN A 23 -8.446 2.399 -1.361 1.00 0.00 O ATOM 106 NE2 GLN A 23 -8.334 0.367 -2.151 1.00 0.00 N ATOM 0 H GLN A 23 -8.695 4.422 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.719 3.769 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.684 3.209 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.066 3.283 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.948 0.971 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.708 1.644 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.778 -0.375 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.322 0.212 -1.948 1.00 0.00 H new ATOM 115 N PRO A 24 -5.955 6.381 -1.098 1.00 0.00 N ATOM 116 CA PRO A 24 -5.025 7.504 -0.875 1.00 0.00 C ATOM 117 C PRO A 24 -4.029 7.093 0.201 1.00 0.00 C ATOM 118 O PRO A 24 -3.942 7.693 1.254 1.00 0.00 O ATOM 119 CB PRO A 24 -5.929 8.641 -0.407 1.00 0.00 C ATOM 120 CG PRO A 24 -7.136 7.960 0.155 1.00 0.00 C ATOM 121 CD PRO A 24 -7.309 6.679 -0.621 1.00 0.00 C ATOM 0 HA PRO A 24 -4.447 7.795 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.435 9.256 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.195 9.301 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.005 7.755 1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.018 8.593 0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.698 5.878 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.008 6.802 -1.448 1.00 0.00 H new ATOM 129 N ILE A 25 -3.278 6.058 -0.063 1.00 0.00 N ATOM 130 CA ILE A 25 -2.287 5.579 0.928 1.00 0.00 C ATOM 131 C ILE A 25 -1.139 6.571 1.025 1.00 0.00 C ATOM 132 O ILE A 25 -0.249 6.441 1.841 1.00 0.00 O ATOM 133 CB ILE A 25 -1.797 4.246 0.370 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.893 4.504 -0.838 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.996 3.410 -0.075 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.228 3.199 -1.261 1.00 0.00 C ATOM 0 H ILE A 25 -3.313 5.523 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.706 5.474 1.929 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.241 3.712 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.477 4.911 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.135 5.246 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.647 2.457 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.650 3.229 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.547 3.947 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.416 3.381 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.369 2.811 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.993 2.471 -1.529 1.00 0.00 H new ATOM 148 N SER A 26 -1.152 7.555 0.181 1.00 0.00 N ATOM 149 CA SER A 26 -0.058 8.562 0.201 1.00 0.00 C ATOM 150 C SER A 26 0.249 8.978 1.641 1.00 0.00 C ATOM 151 O SER A 26 1.256 8.611 2.205 1.00 0.00 O ATOM 152 CB SER A 26 -0.595 9.747 -0.600 1.00 0.00 C ATOM 153 OG SER A 26 -2.012 9.658 -0.678 1.00 0.00 O ATOM 0 H SER A 26 -1.873 7.709 -0.524 1.00 0.00 H new ATOM 0 HA SER A 26 0.869 8.175 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.304 10.684 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.164 9.749 -1.601 1.00 0.00 H new ATOM 0 HG SER A 26 -2.360 10.418 -1.190 1.00 0.00 H new ATOM 159 N ARG A 27 -0.613 9.742 2.236 1.00 0.00 N ATOM 160 CA ARG A 27 -0.368 10.194 3.637 1.00 0.00 C ATOM 161 C ARG A 27 -0.096 9.003 4.567 1.00 0.00 C ATOM 162 O ARG A 27 0.592 9.129 5.559 1.00 0.00 O ATOM 163 CB ARG A 27 -1.656 10.910 4.048 1.00 0.00 C ATOM 164 CG ARG A 27 -1.440 11.622 5.385 1.00 0.00 C ATOM 165 CD ARG A 27 -2.630 11.345 6.304 1.00 0.00 C ATOM 166 NE ARG A 27 -2.514 12.351 7.396 1.00 0.00 N ATOM 167 CZ ARG A 27 -3.191 12.196 8.501 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.975 11.163 8.653 1.00 0.00 N ATOM 169 NH2 ARG A 27 -3.081 13.075 9.458 1.00 0.00 N ATOM 0 H ARG A 27 -1.481 10.077 1.817 1.00 0.00 H new ATOM 0 HA ARG A 27 0.508 10.839 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.944 11.631 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.472 10.192 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.518 11.274 5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.331 12.695 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.574 11.449 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.597 10.329 6.698 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.905 13.161 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.060 10.473 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.502 11.046 9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.467 13.881 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.609 12.956 10.323 1.00 0.00 H new ATOM 183 N LEU A 28 -0.635 7.854 4.269 1.00 0.00 N ATOM 184 CA LEU A 28 -0.412 6.675 5.162 1.00 0.00 C ATOM 185 C LEU A 28 1.010 6.126 5.035 1.00 0.00 C ATOM 186 O LEU A 28 1.842 6.327 5.897 1.00 0.00 O ATOM 187 CB LEU A 28 -1.424 5.629 4.698 1.00 0.00 C ATOM 188 CG LEU A 28 -2.590 5.586 5.685 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.648 6.611 5.271 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.208 4.186 5.687 1.00 0.00 C ATOM 0 H LEU A 28 -1.218 7.677 3.451 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.538 6.947 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.786 5.874 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.950 4.650 4.634 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.227 5.823 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.480 6.580 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.208 7.608 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.011 6.376 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.039 4.156 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.571 3.947 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.455 3.456 5.984 1.00 0.00 H new ATOM 202 N GLU A 29 1.291 5.408 3.985 1.00 0.00 N ATOM 203 CA GLU A 29 2.651 4.820 3.830 1.00 0.00 C ATOM 204 C GLU A 29 3.684 5.888 3.465 1.00 0.00 C ATOM 205 O GLU A 29 4.851 5.754 3.779 1.00 0.00 O ATOM 206 CB GLU A 29 2.507 3.801 2.699 1.00 0.00 C ATOM 207 CG GLU A 29 2.397 4.533 1.364 1.00 0.00 C ATOM 208 CD GLU A 29 3.781 4.629 0.724 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.283 3.604 0.293 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.313 5.725 0.676 1.00 0.00 O ATOM 0 H GLU A 29 0.639 5.203 3.228 1.00 0.00 H new ATOM 0 HA GLU A 29 3.003 4.368 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.366 3.130 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.623 3.184 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.713 4.003 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.984 5.530 1.516 1.00 0.00 H new ATOM 217 N GLN A 30 3.288 6.945 2.809 1.00 0.00 N ATOM 218 CA GLN A 30 4.294 7.987 2.453 1.00 0.00 C ATOM 219 C GLN A 30 4.680 8.779 3.699 1.00 0.00 C ATOM 220 O GLN A 30 5.803 9.222 3.838 1.00 0.00 O ATOM 221 CB GLN A 30 3.624 8.895 1.423 1.00 0.00 C ATOM 222 CG GLN A 30 4.696 9.553 0.548 1.00 0.00 C ATOM 223 CD GLN A 30 5.324 10.728 1.303 1.00 0.00 C ATOM 224 OE1 GLN A 30 6.454 10.647 1.741 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.636 11.823 1.474 1.00 0.00 N ATOM 0 H GLN A 30 2.331 7.131 2.509 1.00 0.00 H new ATOM 0 HA GLN A 30 5.206 7.547 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.939 8.316 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.031 9.659 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.463 8.825 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.254 9.902 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.687 11.892 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.047 12.611 1.975 1.00 0.00 H new ATOM 234 N CYS A 31 3.768 8.949 4.619 1.00 0.00 N ATOM 235 CA CYS A 31 4.111 9.696 5.858 1.00 0.00 C ATOM 236 C CYS A 31 4.896 8.769 6.784 1.00 0.00 C ATOM 237 O CYS A 31 5.548 9.201 7.713 1.00 0.00 O ATOM 238 CB CYS A 31 2.769 10.086 6.479 1.00 0.00 C ATOM 239 SG CYS A 31 3.042 11.261 7.830 1.00 0.00 S ATOM 0 H CYS A 31 2.809 8.605 4.565 1.00 0.00 H new ATOM 0 HA CYS A 31 4.724 10.578 5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.122 10.530 5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.259 9.199 6.853 1.00 0.00 H new ATOM 0 HG CYS A 31 4.169 10.990 8.419 1.00 0.00 H new ATOM 245 N GLY A 32 4.853 7.489 6.515 1.00 0.00 N ATOM 246 CA GLY A 32 5.612 6.527 7.356 1.00 0.00 C ATOM 247 C GLY A 32 4.670 5.488 7.973 1.00 0.00 C ATOM 248 O GLY A 32 4.463 5.470 9.169 1.00 0.00 O ATOM 0 H GLY A 32 4.324 7.073 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.369 6.026 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.138 7.063 8.146 1.00 0.00 H new ATOM 252 N ILE A 33 4.119 4.600 7.184 1.00 0.00 N ATOM 253 CA ILE A 33 3.234 3.560 7.768 1.00 0.00 C ATOM 254 C ILE A 33 4.117 2.398 8.225 1.00 0.00 C ATOM 255 O ILE A 33 5.139 2.596 8.852 1.00 0.00 O ATOM 256 CB ILE A 33 2.263 3.149 6.637 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.081 2.379 7.238 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.974 2.257 5.595 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.229 3.057 6.835 1.00 0.00 C ATOM 0 H ILE A 33 4.245 4.554 6.173 1.00 0.00 H new ATOM 0 HA ILE A 33 2.663 3.900 8.632 1.00 0.00 H new ATOM 0 HB ILE A 33 1.911 4.052 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.091 1.347 6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.168 2.349 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.269 1.982 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.809 2.804 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.346 1.355 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.069 2.509 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.238 4.082 7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.316 3.064 5.748 1.00 0.00 H new ATOM 271 N ASN A 34 3.753 1.201 7.907 1.00 0.00 N ATOM 272 CA ASN A 34 4.591 0.038 8.310 1.00 0.00 C ATOM 273 C ASN A 34 5.883 0.031 7.482 1.00 0.00 C ATOM 274 O ASN A 34 6.489 1.062 7.258 1.00 0.00 O ATOM 275 CB ASN A 34 3.736 -1.194 8.000 1.00 0.00 C ATOM 276 CG ASN A 34 4.084 -2.316 8.980 1.00 0.00 C ATOM 277 OD1 ASN A 34 5.185 -2.833 8.965 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.185 -2.720 9.835 1.00 0.00 N ATOM 0 H ASN A 34 2.909 0.968 7.383 1.00 0.00 H new ATOM 0 HA ASN A 34 4.881 0.067 9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.678 -0.944 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.912 -1.524 6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.405 -3.469 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.262 -2.286 9.847 1.00 0.00 H new ATOM 285 N ALA A 35 6.308 -1.113 7.020 1.00 0.00 N ATOM 286 CA ALA A 35 7.557 -1.168 6.201 1.00 0.00 C ATOM 287 C ALA A 35 7.282 -0.651 4.791 1.00 0.00 C ATOM 288 O ALA A 35 8.190 -0.338 4.045 1.00 0.00 O ATOM 289 CB ALA A 35 7.928 -2.647 6.135 1.00 0.00 C ATOM 0 H ALA A 35 5.848 -2.010 7.172 1.00 0.00 H new ATOM 0 HA ALA A 35 8.351 -0.558 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.838 -2.768 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.094 -3.026 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.117 -3.205 5.666 1.00 0.00 H new ATOM 295 N ASN A 36 6.038 -0.582 4.412 1.00 0.00 N ATOM 296 CA ASN A 36 5.702 -0.114 3.041 1.00 0.00 C ATOM 297 C ASN A 36 6.539 1.094 2.653 1.00 0.00 C ATOM 298 O ASN A 36 7.293 1.051 1.702 1.00 0.00 O ATOM 299 CB ASN A 36 4.230 0.294 3.083 1.00 0.00 C ATOM 300 CG ASN A 36 3.349 -0.940 3.273 1.00 0.00 C ATOM 301 OD1 ASN A 36 2.951 -1.570 2.314 1.00 0.00 O ATOM 302 ND2 ASN A 36 3.020 -1.312 4.480 1.00 0.00 N ATOM 0 H ASN A 36 5.238 -0.830 4.994 1.00 0.00 H new ATOM 0 HA ASN A 36 5.898 -0.899 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.063 0.999 3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.960 0.805 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.429 -2.132 4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.354 -0.783 5.286 1.00 0.00 H new ATOM 309 N ASP A 37 6.376 2.175 3.365 1.00 0.00 N ATOM 310 CA ASP A 37 7.122 3.426 3.046 1.00 0.00 C ATOM 311 C ASP A 37 8.439 3.122 2.327 1.00 0.00 C ATOM 312 O ASP A 37 8.559 3.288 1.126 1.00 0.00 O ATOM 313 CB ASP A 37 7.395 4.075 4.402 1.00 0.00 C ATOM 314 CG ASP A 37 8.282 5.307 4.210 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.471 5.130 4.001 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.758 6.406 4.275 1.00 0.00 O ATOM 0 H ASP A 37 5.748 2.246 4.166 1.00 0.00 H new ATOM 0 HA ASP A 37 6.553 4.073 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.456 4.360 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.884 3.362 5.066 1.00 0.00 H new ATOM 321 N VAL A 38 9.418 2.680 3.062 1.00 0.00 N ATOM 322 CA VAL A 38 10.749 2.369 2.466 1.00 0.00 C ATOM 323 C VAL A 38 10.667 1.336 1.337 1.00 0.00 C ATOM 324 O VAL A 38 11.173 1.549 0.262 1.00 0.00 O ATOM 325 CB VAL A 38 11.560 1.794 3.624 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.008 1.578 3.178 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.530 2.772 4.800 1.00 0.00 C ATOM 0 H VAL A 38 9.353 2.518 4.067 1.00 0.00 H new ATOM 0 HA VAL A 38 11.188 3.261 2.019 1.00 0.00 H new ATOM 0 HB VAL A 38 11.129 0.841 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.586 1.167 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.030 0.882 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.440 2.530 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.109 2.363 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.961 3.725 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.499 2.926 5.119 1.00 0.00 H new ATOM 337 N LYS A 39 10.077 0.203 1.563 1.00 0.00 N ATOM 338 CA LYS A 39 10.048 -0.815 0.478 1.00 0.00 C ATOM 339 C LYS A 39 8.994 -0.483 -0.575 1.00 0.00 C ATOM 340 O LYS A 39 9.302 -0.190 -1.724 1.00 0.00 O ATOM 341 CB LYS A 39 9.694 -2.123 1.183 1.00 0.00 C ATOM 342 CG LYS A 39 10.899 -2.608 1.991 1.00 0.00 C ATOM 343 CD LYS A 39 10.757 -2.149 3.443 1.00 0.00 C ATOM 344 CE LYS A 39 11.240 -3.259 4.379 1.00 0.00 C ATOM 345 NZ LYS A 39 12.658 -2.917 4.676 1.00 0.00 N ATOM 0 H LYS A 39 9.620 -0.063 2.435 1.00 0.00 H new ATOM 0 HA LYS A 39 11.000 -0.863 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.838 -1.974 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.406 -2.877 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.966 -3.695 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.820 -2.214 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.338 -1.242 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.717 -1.904 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.643 -3.296 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.160 -4.238 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.081 -3.667 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.188 -2.829 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.697 -2.015 5.192 1.00 0.00 H new ATOM 359 N LYS A 40 7.757 -0.561 -0.190 1.00 0.00 N ATOM 360 CA LYS A 40 6.645 -0.304 -1.135 1.00 0.00 C ATOM 361 C LYS A 40 6.928 0.850 -2.105 1.00 0.00 C ATOM 362 O LYS A 40 7.003 0.655 -3.301 1.00 0.00 O ATOM 363 CB LYS A 40 5.459 0.054 -0.265 1.00 0.00 C ATOM 364 CG LYS A 40 4.327 -0.947 -0.516 1.00 0.00 C ATOM 365 CD LYS A 40 3.172 -0.234 -1.211 1.00 0.00 C ATOM 366 CE LYS A 40 2.785 0.986 -0.383 1.00 0.00 C ATOM 367 NZ LYS A 40 2.749 2.119 -1.349 1.00 0.00 N ATOM 0 H LYS A 40 7.465 -0.797 0.758 1.00 0.00 H new ATOM 0 HA LYS A 40 6.482 -1.182 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.747 0.039 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.121 1.066 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.685 -1.772 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.990 -1.377 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.464 0.068 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.320 -0.906 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.816 0.846 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.509 1.169 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.658 3.015 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.628 2.129 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.936 2.005 -1.988 1.00 0.00 H new ATOM 381 N LEU A 41 7.004 2.060 -1.610 1.00 0.00 N ATOM 382 CA LEU A 41 7.175 3.230 -2.533 1.00 0.00 C ATOM 383 C LEU A 41 8.623 3.602 -2.878 1.00 0.00 C ATOM 384 O LEU A 41 8.847 4.332 -3.824 1.00 0.00 O ATOM 385 CB LEU A 41 6.502 4.391 -1.794 1.00 0.00 C ATOM 386 CG LEU A 41 7.502 5.070 -0.849 1.00 0.00 C ATOM 387 CD1 LEU A 41 7.935 6.415 -1.435 1.00 0.00 C ATOM 388 CD2 LEU A 41 6.844 5.295 0.508 1.00 0.00 C ATOM 0 H LEU A 41 6.956 2.290 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 41 6.741 2.985 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.120 5.116 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.647 4.023 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 41 8.377 4.431 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.645 6.894 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.407 6.255 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.062 7.056 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.553 5.777 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.968 5.932 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.540 4.336 0.928 1.00 0.00 H new ATOM 400 N GLU A 42 9.606 3.198 -2.132 1.00 0.00 N ATOM 401 CA GLU A 42 10.971 3.670 -2.497 1.00 0.00 C ATOM 402 C GLU A 42 11.492 3.028 -3.782 1.00 0.00 C ATOM 403 O GLU A 42 12.193 3.667 -4.540 1.00 0.00 O ATOM 404 CB GLU A 42 11.879 3.347 -1.318 1.00 0.00 C ATOM 405 CG GLU A 42 13.114 4.251 -1.368 1.00 0.00 C ATOM 406 CD GLU A 42 13.314 4.929 -0.010 1.00 0.00 C ATOM 407 OE1 GLU A 42 12.619 5.897 0.253 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.158 4.470 0.741 1.00 0.00 O ATOM 0 H GLU A 42 9.536 2.587 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 42 10.947 4.741 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.343 3.495 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.179 2.300 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.996 3.664 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.994 5.004 -2.147 1.00 0.00 H new ATOM 415 N GLU A 43 11.175 1.794 -4.070 1.00 0.00 N ATOM 416 CA GLU A 43 11.697 1.224 -5.331 1.00 0.00 C ATOM 417 C GLU A 43 10.886 1.809 -6.495 1.00 0.00 C ATOM 418 O GLU A 43 11.433 2.251 -7.487 1.00 0.00 O ATOM 419 CB GLU A 43 11.520 -0.295 -5.174 1.00 0.00 C ATOM 420 CG GLU A 43 11.042 -0.929 -6.479 1.00 0.00 C ATOM 421 CD GLU A 43 11.849 -2.200 -6.765 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.803 -2.447 -6.047 1.00 0.00 O ATOM 423 OE2 GLU A 43 11.498 -2.903 -7.698 1.00 0.00 O ATOM 0 H GLU A 43 10.595 1.177 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 43 12.742 1.456 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.465 -0.745 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.801 -0.501 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.981 -1.169 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.156 -0.222 -7.301 1.00 0.00 H new ATOM 430 N ALA A 44 9.590 1.824 -6.371 1.00 0.00 N ATOM 431 CA ALA A 44 8.742 2.387 -7.458 1.00 0.00 C ATOM 432 C ALA A 44 8.168 3.737 -7.029 1.00 0.00 C ATOM 433 O ALA A 44 8.516 4.771 -7.564 1.00 0.00 O ATOM 434 CB ALA A 44 7.620 1.372 -7.645 1.00 0.00 C ATOM 0 H ALA A 44 9.079 1.470 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 44 9.303 2.553 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.948 1.714 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.045 0.408 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.064 1.268 -6.713 1.00 0.00 H new ATOM 440 N GLY A 45 7.291 3.738 -6.061 1.00 0.00 N ATOM 441 CA GLY A 45 6.704 5.025 -5.598 1.00 0.00 C ATOM 442 C GLY A 45 5.178 4.921 -5.546 1.00 0.00 C ATOM 443 O GLY A 45 4.476 5.797 -6.012 1.00 0.00 O ATOM 0 H GLY A 45 6.958 2.906 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.093 5.276 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.998 5.830 -6.271 1.00 0.00 H new ATOM 447 N PHE A 46 4.652 3.871 -4.972 1.00 0.00 N ATOM 448 CA PHE A 46 3.153 3.759 -4.891 1.00 0.00 C ATOM 449 C PHE A 46 2.631 4.531 -3.676 1.00 0.00 C ATOM 450 O PHE A 46 1.533 4.295 -3.210 1.00 0.00 O ATOM 451 CB PHE A 46 2.818 2.275 -4.716 1.00 0.00 C ATOM 452 CG PHE A 46 3.700 1.423 -5.580 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.942 1.029 -5.101 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.275 1.019 -6.851 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.772 0.231 -5.877 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.107 0.216 -7.638 1.00 0.00 C ATOM 457 CZ PHE A 46 5.358 -0.180 -7.151 1.00 0.00 C ATOM 0 H PHE A 46 5.176 3.098 -4.562 1.00 0.00 H new ATOM 0 HA PHE A 46 2.694 4.170 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.941 1.991 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.773 2.101 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.264 1.345 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.309 1.326 -7.223 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.737 -0.073 -5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.785 -0.098 -8.620 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.003 -0.801 -7.756 1.00 0.00 H new ATOM 467 N HIS A 47 3.407 5.429 -3.144 1.00 0.00 N ATOM 468 CA HIS A 47 2.945 6.187 -1.943 1.00 0.00 C ATOM 469 C HIS A 47 1.735 7.067 -2.271 1.00 0.00 C ATOM 470 O HIS A 47 1.797 8.275 -2.179 1.00 0.00 O ATOM 471 CB HIS A 47 4.143 7.045 -1.525 1.00 0.00 C ATOM 472 CG HIS A 47 4.556 7.939 -2.661 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.898 7.942 -3.880 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.561 8.870 -2.776 1.00 0.00 C ATOM 475 CE1 HIS A 47 4.509 8.848 -4.668 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.529 9.443 -4.043 1.00 0.00 N ATOM 0 H HIS A 47 4.337 5.673 -3.484 1.00 0.00 H new ATOM 0 HA HIS A 47 2.623 5.517 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.884 7.646 -0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.976 6.405 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.269 9.119 -1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.210 9.067 -5.683 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.150 10.162 -4.415 1.00 0.00 H new ATOM 484 N THR A 48 0.628 6.463 -2.629 1.00 0.00 N ATOM 485 CA THR A 48 -0.603 7.257 -2.939 1.00 0.00 C ATOM 486 C THR A 48 -1.663 6.375 -3.605 1.00 0.00 C ATOM 487 O THR A 48 -1.464 5.196 -3.812 1.00 0.00 O ATOM 488 CB THR A 48 -0.168 8.367 -3.906 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.324 8.942 -4.500 1.00 0.00 O ATOM 490 CG2 THR A 48 0.729 7.788 -5.003 1.00 0.00 C ATOM 0 H THR A 48 0.523 5.452 -2.720 1.00 0.00 H new ATOM 0 HA THR A 48 -1.042 7.664 -2.028 1.00 0.00 H new ATOM 0 HB THR A 48 0.388 9.126 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.055 9.653 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.032 8.584 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.614 7.341 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.181 7.026 -5.557 1.00 0.00 H new ATOM 498 N VAL A 49 -2.789 6.960 -3.937 1.00 0.00 N ATOM 499 CA VAL A 49 -3.895 6.199 -4.604 1.00 0.00 C ATOM 500 C VAL A 49 -3.336 5.112 -5.529 1.00 0.00 C ATOM 501 O VAL A 49 -3.951 4.084 -5.731 1.00 0.00 O ATOM 502 CB VAL A 49 -4.647 7.250 -5.420 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.694 7.884 -6.434 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.811 6.589 -6.163 1.00 0.00 C ATOM 0 H VAL A 49 -2.992 7.946 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.533 5.691 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.034 8.018 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.229 8.634 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.865 8.357 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.308 7.114 -7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.345 7.341 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.426 5.820 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.492 6.136 -5.443 1.00 0.00 H new ATOM 514 N GLU A 50 -2.176 5.334 -6.088 1.00 0.00 N ATOM 515 CA GLU A 50 -1.560 4.322 -6.997 1.00 0.00 C ATOM 516 C GLU A 50 -1.826 2.892 -6.504 1.00 0.00 C ATOM 517 O GLU A 50 -1.842 1.960 -7.281 1.00 0.00 O ATOM 518 CB GLU A 50 -0.064 4.629 -6.953 1.00 0.00 C ATOM 519 CG GLU A 50 0.620 4.047 -8.191 1.00 0.00 C ATOM 520 CD GLU A 50 1.704 5.013 -8.671 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.925 6.007 -7.998 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.294 4.744 -9.705 1.00 0.00 O ATOM 0 H GLU A 50 -1.624 6.181 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.973 4.377 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.095 5.707 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.377 4.207 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.059 3.077 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.112 3.882 -8.981 1.00 0.00 H new ATOM 529 N ALA A 51 -2.031 2.706 -5.224 1.00 0.00 N ATOM 530 CA ALA A 51 -2.291 1.331 -4.707 1.00 0.00 C ATOM 531 C ALA A 51 -3.619 0.797 -5.257 1.00 0.00 C ATOM 532 O ALA A 51 -4.545 0.528 -4.519 1.00 0.00 O ATOM 533 CB ALA A 51 -2.367 1.486 -3.188 1.00 0.00 C ATOM 0 H ALA A 51 -2.029 3.443 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.516 0.626 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.557 0.514 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.423 1.884 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.175 2.171 -2.932 1.00 0.00 H new ATOM 539 N VAL A 52 -3.716 0.644 -6.550 1.00 0.00 N ATOM 540 CA VAL A 52 -4.979 0.127 -7.150 1.00 0.00 C ATOM 541 C VAL A 52 -4.696 -1.170 -7.919 1.00 0.00 C ATOM 542 O VAL A 52 -4.069 -2.075 -7.406 1.00 0.00 O ATOM 543 CB VAL A 52 -5.457 1.237 -8.094 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.937 1.028 -8.418 1.00 0.00 C ATOM 545 CG2 VAL A 52 -5.279 2.600 -7.421 1.00 0.00 C ATOM 0 H VAL A 52 -2.974 0.855 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.734 -0.109 -6.401 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.870 1.204 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.277 1.817 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.071 0.059 -8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.519 1.059 -7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.620 3.386 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.864 2.631 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.226 2.755 -7.186 1.00 0.00 H new ATOM 555 N ALA A 53 -5.145 -1.273 -9.142 1.00 0.00 N ATOM 556 CA ALA A 53 -4.892 -2.516 -9.924 1.00 0.00 C ATOM 557 C ALA A 53 -3.571 -2.402 -10.688 1.00 0.00 C ATOM 558 O ALA A 53 -3.133 -3.337 -11.329 1.00 0.00 O ATOM 559 CB ALA A 53 -6.066 -2.618 -10.896 1.00 0.00 C ATOM 0 H ALA A 53 -5.675 -0.551 -9.631 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.814 -3.396 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.953 -3.511 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.999 -2.679 -10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.085 -1.737 -11.537 1.00 0.00 H new ATOM 565 N TYR A 54 -2.935 -1.262 -10.627 1.00 0.00 N ATOM 566 CA TYR A 54 -1.643 -1.088 -11.350 1.00 0.00 C ATOM 567 C TYR A 54 -0.776 -2.341 -11.193 1.00 0.00 C ATOM 568 O TYR A 54 -0.265 -2.879 -12.155 1.00 0.00 O ATOM 569 CB TYR A 54 -0.975 0.116 -10.684 1.00 0.00 C ATOM 570 CG TYR A 54 -0.604 1.136 -11.735 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.596 1.690 -12.554 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.731 1.526 -11.890 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.252 2.635 -13.528 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.075 2.472 -12.864 1.00 0.00 C ATOM 575 CZ TYR A 54 0.084 3.026 -13.683 1.00 0.00 C ATOM 576 OH TYR A 54 0.423 3.960 -14.640 1.00 0.00 O ATOM 0 H TYR A 54 -3.255 -0.444 -10.108 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.785 -0.934 -12.420 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.650 0.561 -9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.085 -0.203 -10.142 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.626 1.388 -12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.496 1.098 -11.259 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.017 3.062 -14.160 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.105 2.774 -12.983 1.00 0.00 H new ATOM 0 HH TYR A 54 1.390 4.119 -14.614 1.00 0.00 H new ATOM 586 N ALA A 55 -0.609 -2.813 -9.988 1.00 0.00 N ATOM 587 CA ALA A 55 0.221 -4.033 -9.775 1.00 0.00 C ATOM 588 C ALA A 55 -0.339 -4.854 -8.609 1.00 0.00 C ATOM 589 O ALA A 55 -0.945 -4.314 -7.706 1.00 0.00 O ATOM 590 CB ALA A 55 1.618 -3.511 -9.443 1.00 0.00 C ATOM 0 H ALA A 55 -1.011 -2.407 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 55 0.229 -4.685 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.290 -4.352 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.990 -2.913 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.572 -2.895 -8.545 1.00 0.00 H new ATOM 596 N PRO A 56 -0.112 -6.138 -8.671 1.00 0.00 N ATOM 597 CA PRO A 56 -0.599 -7.047 -7.607 1.00 0.00 C ATOM 598 C PRO A 56 0.214 -6.845 -6.326 1.00 0.00 C ATOM 599 O PRO A 56 1.428 -6.823 -6.346 1.00 0.00 O ATOM 600 CB PRO A 56 -0.371 -8.439 -8.191 1.00 0.00 C ATOM 601 CG PRO A 56 0.725 -8.263 -9.191 1.00 0.00 C ATOM 602 CD PRO A 56 0.613 -6.856 -9.723 1.00 0.00 C ATOM 0 HA PRO A 56 -1.640 -6.875 -7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.088 -9.151 -7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.276 -8.823 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.699 -8.424 -8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.631 -8.989 -9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.595 -6.417 -9.902 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.074 -6.829 -10.670 1.00 0.00 H new ATOM 610 N LYS A 57 -0.449 -6.686 -5.216 1.00 0.00 N ATOM 611 CA LYS A 57 0.282 -6.474 -3.935 1.00 0.00 C ATOM 612 C LYS A 57 1.458 -7.448 -3.820 1.00 0.00 C ATOM 613 O LYS A 57 2.424 -7.179 -3.140 1.00 0.00 O ATOM 614 CB LYS A 57 -0.749 -6.747 -2.836 1.00 0.00 C ATOM 615 CG LYS A 57 -1.264 -8.185 -2.949 1.00 0.00 C ATOM 616 CD LYS A 57 -2.675 -8.181 -3.541 1.00 0.00 C ATOM 617 CE LYS A 57 -2.801 -9.312 -4.565 1.00 0.00 C ATOM 618 NZ LYS A 57 -3.521 -10.401 -3.850 1.00 0.00 N ATOM 0 H LYS A 57 -1.466 -6.694 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 57 0.698 -5.469 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.299 -6.589 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.579 -6.046 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.596 -8.772 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.272 -8.657 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.414 -8.308 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.879 -7.221 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.353 -8.986 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.821 -9.645 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.645 -11.213 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.969 -10.695 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.453 -10.057 -3.542 1.00 0.00 H new ATOM 632 N LYS A 58 1.380 -8.577 -4.470 1.00 0.00 N ATOM 633 CA LYS A 58 2.487 -9.576 -4.385 1.00 0.00 C ATOM 634 C LYS A 58 3.675 -9.155 -5.260 1.00 0.00 C ATOM 635 O LYS A 58 4.814 -9.453 -4.961 1.00 0.00 O ATOM 636 CB LYS A 58 1.867 -10.872 -4.911 1.00 0.00 C ATOM 637 CG LYS A 58 2.740 -12.064 -4.517 1.00 0.00 C ATOM 638 CD LYS A 58 2.368 -13.269 -5.386 1.00 0.00 C ATOM 639 CE LYS A 58 3.621 -13.808 -6.079 1.00 0.00 C ATOM 640 NZ LYS A 58 3.741 -15.216 -5.612 1.00 0.00 N ATOM 0 H LYS A 58 0.594 -8.853 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 58 2.875 -9.676 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.863 -10.996 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.769 -10.825 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.794 -11.817 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.597 -12.302 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.916 -14.048 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.625 -12.979 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.525 -13.758 -7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.503 -13.226 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.579 -15.655 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.838 -15.231 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.891 -15.747 -5.888 1.00 0.00 H new ATOM 654 N GLU A 59 3.424 -8.467 -6.334 1.00 0.00 N ATOM 655 CA GLU A 59 4.545 -8.038 -7.222 1.00 0.00 C ATOM 656 C GLU A 59 5.251 -6.826 -6.632 1.00 0.00 C ATOM 657 O GLU A 59 6.455 -6.804 -6.495 1.00 0.00 O ATOM 658 CB GLU A 59 3.886 -7.683 -8.555 1.00 0.00 C ATOM 659 CG GLU A 59 4.851 -6.853 -9.405 1.00 0.00 C ATOM 660 CD GLU A 59 4.840 -7.374 -10.843 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.907 -7.052 -11.560 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.763 -8.085 -11.201 1.00 0.00 O ATOM 0 H GLU A 59 2.494 -8.181 -6.639 1.00 0.00 H new ATOM 0 HA GLU A 59 5.299 -8.817 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.608 -8.593 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.967 -7.123 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.559 -5.803 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.858 -6.912 -8.993 1.00 0.00 H new ATOM 669 N LEU A 60 4.520 -5.820 -6.273 1.00 0.00 N ATOM 670 CA LEU A 60 5.174 -4.632 -5.684 1.00 0.00 C ATOM 671 C LEU A 60 5.997 -5.077 -4.467 1.00 0.00 C ATOM 672 O LEU A 60 7.190 -4.864 -4.400 1.00 0.00 O ATOM 673 CB LEU A 60 4.003 -3.698 -5.314 1.00 0.00 C ATOM 674 CG LEU A 60 4.105 -3.223 -3.860 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.464 -2.560 -3.639 1.00 0.00 C ATOM 676 CD2 LEU A 60 2.992 -2.212 -3.575 1.00 0.00 C ATOM 0 H LEU A 60 3.505 -5.768 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 60 5.871 -4.121 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.999 -2.836 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.058 -4.220 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 60 4.001 -4.076 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.540 -2.221 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.257 -3.279 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.566 -1.706 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.064 -1.874 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.096 -1.358 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.022 -2.683 -3.736 1.00 0.00 H new ATOM 688 N ILE A 61 5.365 -5.686 -3.504 1.00 0.00 N ATOM 689 CA ILE A 61 6.106 -6.135 -2.293 1.00 0.00 C ATOM 690 C ILE A 61 7.341 -6.915 -2.701 1.00 0.00 C ATOM 691 O ILE A 61 8.343 -6.913 -2.014 1.00 0.00 O ATOM 692 CB ILE A 61 5.138 -7.038 -1.565 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.706 -8.148 -2.527 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.940 -6.204 -1.112 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.732 -9.284 -2.464 1.00 0.00 C ATOM 0 H ILE A 61 4.366 -5.893 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 61 6.439 -5.301 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 61 5.597 -7.490 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.717 -8.518 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.635 -7.760 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.231 -6.842 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.280 -5.411 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.453 -5.763 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.435 -10.081 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.712 -8.905 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.780 -9.675 -1.448 1.00 0.00 H new ATOM 707 N ASN A 62 7.296 -7.574 -3.826 1.00 0.00 N ATOM 708 CA ASN A 62 8.495 -8.327 -4.261 1.00 0.00 C ATOM 709 C ASN A 62 9.717 -7.407 -4.176 1.00 0.00 C ATOM 710 O ASN A 62 10.842 -7.867 -4.199 1.00 0.00 O ATOM 711 CB ASN A 62 8.204 -8.787 -5.705 1.00 0.00 C ATOM 712 CG ASN A 62 9.022 -7.977 -6.722 1.00 0.00 C ATOM 713 OD1 ASN A 62 10.049 -8.533 -7.304 1.00 0.00 O flip ATOM 714 ND2 ASN A 62 8.725 -6.829 -6.985 1.00 0.00 N flip ATOM 0 H ASN A 62 6.492 -7.621 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 62 8.709 -9.193 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.439 -9.846 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.141 -8.675 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.922 -6.393 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.278 -6.301 -7.660 1.00 0.00 H new ATOM 721 N ILE A 63 9.519 -6.108 -4.068 1.00 0.00 N ATOM 722 CA ILE A 63 10.704 -5.212 -3.971 1.00 0.00 C ATOM 723 C ILE A 63 11.704 -5.792 -2.978 1.00 0.00 C ATOM 724 O ILE A 63 12.579 -6.557 -3.331 1.00 0.00 O ATOM 725 CB ILE A 63 10.160 -3.877 -3.478 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.448 -3.174 -4.630 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.314 -3.005 -2.982 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.530 -2.098 -4.066 1.00 0.00 C ATOM 0 H ILE A 63 8.609 -5.647 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 63 11.224 -5.101 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 63 9.460 -4.045 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.177 -2.729 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.871 -3.894 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.923 -2.050 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.827 -3.511 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.015 -2.831 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.018 -1.591 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.794 -2.557 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.120 -1.374 -3.504 1.00 0.00 H new ATOM 740 N LYS A 64 11.567 -5.447 -1.739 1.00 0.00 N ATOM 741 CA LYS A 64 12.493 -5.991 -0.706 1.00 0.00 C ATOM 742 C LYS A 64 12.249 -7.493 -0.546 1.00 0.00 C ATOM 743 O LYS A 64 13.095 -8.226 -0.073 1.00 0.00 O ATOM 744 CB LYS A 64 12.142 -5.245 0.582 1.00 0.00 C ATOM 745 CG LYS A 64 13.417 -4.996 1.392 1.00 0.00 C ATOM 746 CD LYS A 64 13.790 -6.266 2.159 1.00 0.00 C ATOM 747 CE LYS A 64 15.241 -6.644 1.854 1.00 0.00 C ATOM 748 NZ LYS A 64 15.994 -6.313 3.096 1.00 0.00 N ATOM 0 H LYS A 64 10.852 -4.809 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 64 13.542 -5.857 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.658 -4.297 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.433 -5.827 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.232 -4.707 0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.264 -4.170 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.663 -6.107 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.124 -7.082 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.330 -7.702 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.623 -6.085 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.999 -6.545 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.897 -5.298 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.613 -6.865 3.891 1.00 0.00 H new ATOM 762 N GLY A 65 11.095 -7.956 -0.949 1.00 0.00 N ATOM 763 CA GLY A 65 10.791 -9.411 -0.835 1.00 0.00 C ATOM 764 C GLY A 65 9.637 -9.634 0.146 1.00 0.00 C ATOM 765 O GLY A 65 9.542 -10.671 0.772 1.00 0.00 O ATOM 0 H GLY A 65 10.350 -7.388 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.529 -9.813 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.676 -9.949 -0.496 1.00 0.00 H new ATOM 769 N ILE A 66 8.757 -8.679 0.295 1.00 0.00 N ATOM 770 CA ILE A 66 7.629 -8.870 1.243 1.00 0.00 C ATOM 771 C ILE A 66 6.446 -9.547 0.542 1.00 0.00 C ATOM 772 O ILE A 66 6.608 -10.470 -0.233 1.00 0.00 O ATOM 773 CB ILE A 66 7.213 -7.471 1.718 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.406 -6.506 1.756 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.640 -7.604 3.121 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.233 -5.432 0.678 1.00 0.00 C ATOM 0 H ILE A 66 8.772 -7.785 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 66 7.930 -9.505 2.077 1.00 0.00 H new ATOM 0 HB ILE A 66 6.479 -7.066 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.479 -6.040 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.335 -7.053 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.335 -6.622 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.775 -8.267 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.398 -8.018 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.081 -4.748 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.182 -5.906 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.313 -4.877 0.862 1.00 0.00 H new ATOM 788 N SER A 67 5.257 -9.090 0.826 1.00 0.00 N ATOM 789 CA SER A 67 4.035 -9.675 0.213 1.00 0.00 C ATOM 790 C SER A 67 2.827 -8.944 0.795 1.00 0.00 C ATOM 791 O SER A 67 2.845 -7.736 0.965 1.00 0.00 O ATOM 792 CB SER A 67 4.040 -11.144 0.637 1.00 0.00 C ATOM 793 OG SER A 67 3.374 -11.918 -0.352 1.00 0.00 O ATOM 0 H SER A 67 5.080 -8.320 1.471 1.00 0.00 H new ATOM 0 HA SER A 67 4.000 -9.585 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.064 -11.495 0.762 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.544 -11.259 1.601 1.00 0.00 H new ATOM 0 HG SER A 67 3.376 -12.861 -0.086 1.00 0.00 H new ATOM 799 N GLU A 68 1.797 -9.655 1.146 1.00 0.00 N ATOM 800 CA GLU A 68 0.630 -8.980 1.763 1.00 0.00 C ATOM 801 C GLU A 68 1.111 -8.281 3.043 1.00 0.00 C ATOM 802 O GLU A 68 0.447 -7.423 3.589 1.00 0.00 O ATOM 803 CB GLU A 68 -0.365 -10.115 2.059 1.00 0.00 C ATOM 804 CG GLU A 68 -1.090 -9.868 3.387 1.00 0.00 C ATOM 805 CD GLU A 68 -2.496 -10.465 3.321 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.976 -10.681 2.221 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.068 -10.698 4.373 1.00 0.00 O ATOM 0 H GLU A 68 1.713 -10.665 1.033 1.00 0.00 H new ATOM 0 HA GLU A 68 0.163 -8.221 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.092 -10.188 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.164 -11.067 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.531 -10.318 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.147 -8.798 3.589 1.00 0.00 H new ATOM 814 N ALA A 69 2.274 -8.659 3.520 1.00 0.00 N ATOM 815 CA ALA A 69 2.825 -8.047 4.760 1.00 0.00 C ATOM 816 C ALA A 69 2.607 -6.534 4.778 1.00 0.00 C ATOM 817 O ALA A 69 1.707 -6.033 5.423 1.00 0.00 O ATOM 818 CB ALA A 69 4.320 -8.362 4.714 1.00 0.00 C ATOM 0 H ALA A 69 2.866 -9.372 3.095 1.00 0.00 H new ATOM 0 HA ALA A 69 2.337 -8.438 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.807 -7.945 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.464 -9.442 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.757 -7.923 3.817 1.00 0.00 H new ATOM 824 N LYS A 70 3.429 -5.805 4.080 1.00 0.00 N ATOM 825 CA LYS A 70 3.287 -4.326 4.061 1.00 0.00 C ATOM 826 C LYS A 70 2.209 -3.905 3.064 1.00 0.00 C ATOM 827 O LYS A 70 1.417 -3.025 3.334 1.00 0.00 O ATOM 828 CB LYS A 70 4.658 -3.812 3.624 1.00 0.00 C ATOM 829 CG LYS A 70 5.754 -4.581 4.367 1.00 0.00 C ATOM 830 CD LYS A 70 5.493 -4.510 5.875 1.00 0.00 C ATOM 831 CE LYS A 70 6.315 -5.581 6.593 1.00 0.00 C ATOM 832 NZ LYS A 70 5.885 -5.503 8.019 1.00 0.00 N ATOM 0 H LYS A 70 4.197 -6.173 3.519 1.00 0.00 H new ATOM 0 HA LYS A 70 2.987 -3.925 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.778 -3.936 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.742 -2.746 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.771 -5.620 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.731 -4.157 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.756 -3.522 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.432 -4.656 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.125 -6.570 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.384 -5.393 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.652 -5.847 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.664 -4.516 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.039 -6.092 8.159 1.00 0.00 H new ATOM 846 N ALA A 71 2.169 -4.518 1.913 1.00 0.00 N ATOM 847 CA ALA A 71 1.127 -4.124 0.918 1.00 0.00 C ATOM 848 C ALA A 71 -0.254 -4.125 1.569 1.00 0.00 C ATOM 849 O ALA A 71 -0.845 -3.090 1.804 1.00 0.00 O ATOM 850 CB ALA A 71 1.190 -5.182 -0.179 1.00 0.00 C ATOM 0 H ALA A 71 2.801 -5.263 1.620 1.00 0.00 H new ATOM 0 HA ALA A 71 1.300 -3.121 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.449 -4.955 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.185 -5.185 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.981 -6.163 0.249 1.00 0.00 H new ATOM 856 N ASP A 72 -0.773 -5.283 1.858 1.00 0.00 N ATOM 857 CA ASP A 72 -2.117 -5.357 2.493 1.00 0.00 C ATOM 858 C ASP A 72 -2.174 -4.427 3.706 1.00 0.00 C ATOM 859 O ASP A 72 -3.099 -3.655 3.866 1.00 0.00 O ATOM 860 CB ASP A 72 -2.276 -6.813 2.923 1.00 0.00 C ATOM 861 CG ASP A 72 -3.725 -7.061 3.346 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.099 -6.591 4.408 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.435 -7.712 2.599 1.00 0.00 O ATOM 0 H ASP A 72 -0.325 -6.182 1.682 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.913 -5.048 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.006 -7.478 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.601 -7.036 3.749 1.00 0.00 H new ATOM 868 N LYS A 73 -1.190 -4.493 4.563 1.00 0.00 N ATOM 869 CA LYS A 73 -1.191 -3.611 5.764 1.00 0.00 C ATOM 870 C LYS A 73 -1.610 -2.189 5.377 1.00 0.00 C ATOM 871 O LYS A 73 -2.157 -1.453 6.175 1.00 0.00 O ATOM 872 CB LYS A 73 0.254 -3.623 6.264 1.00 0.00 C ATOM 873 CG LYS A 73 0.357 -2.796 7.546 1.00 0.00 C ATOM 874 CD LYS A 73 -0.570 -3.387 8.610 1.00 0.00 C ATOM 875 CE LYS A 73 -1.886 -2.605 8.631 1.00 0.00 C ATOM 876 NZ LYS A 73 -2.302 -2.594 10.061 1.00 0.00 N ATOM 0 H LYS A 73 -0.388 -5.118 4.483 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.891 -3.953 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.576 -4.647 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.917 -3.215 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.386 -2.791 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.084 -1.760 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.763 -4.438 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.093 -3.343 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.750 -1.592 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.639 -3.082 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.309 -2.342 10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.154 -3.537 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.735 -1.895 10.582 1.00 0.00 H new ATOM 890 N ILE A 74 -1.350 -1.794 4.160 1.00 0.00 N ATOM 891 CA ILE A 74 -1.726 -0.417 3.733 1.00 0.00 C ATOM 892 C ILE A 74 -3.190 -0.380 3.270 1.00 0.00 C ATOM 893 O ILE A 74 -3.955 0.473 3.674 1.00 0.00 O ATOM 894 CB ILE A 74 -0.741 -0.087 2.594 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.021 1.220 2.926 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.463 0.064 1.249 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.049 0.952 3.984 1.00 0.00 C ATOM 0 H ILE A 74 -0.895 -2.363 3.446 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.660 0.315 4.538 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.031 -0.909 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.435 1.636 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.734 1.959 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.737 0.296 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.973 -0.867 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.193 0.871 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.565 1.882 4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.579 0.555 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.767 0.227 3.600 1.00 0.00 H new ATOM 909 N LEU A 75 -3.583 -1.293 2.426 1.00 0.00 N ATOM 910 CA LEU A 75 -4.993 -1.300 1.940 1.00 0.00 C ATOM 911 C LEU A 75 -5.961 -1.496 3.108 1.00 0.00 C ATOM 912 O LEU A 75 -7.140 -1.227 2.997 1.00 0.00 O ATOM 913 CB LEU A 75 -5.073 -2.482 0.971 1.00 0.00 C ATOM 914 CG LEU A 75 -5.342 -1.970 -0.445 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.634 -2.872 -1.460 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.849 -1.981 -0.718 1.00 0.00 C ATOM 0 H LEU A 75 -2.990 -2.034 2.052 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.266 -0.360 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.141 -3.047 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.866 -3.164 1.278 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.964 -0.952 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.827 -2.506 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.561 -2.862 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.010 -3.891 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.039 -1.616 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.229 -2.998 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.354 -1.337 0.002 1.00 0.00 H new ATOM 928 N ALA A 76 -5.477 -1.956 4.225 1.00 0.00 N ATOM 929 CA ALA A 76 -6.378 -2.159 5.392 1.00 0.00 C ATOM 930 C ALA A 76 -6.511 -0.852 6.174 1.00 0.00 C ATOM 931 O ALA A 76 -7.584 -0.292 6.294 1.00 0.00 O ATOM 932 CB ALA A 76 -5.695 -3.228 6.245 1.00 0.00 C ATOM 0 H ALA A 76 -4.499 -2.200 4.381 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.382 -2.463 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.302 -3.432 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.583 -4.142 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.712 -2.873 6.555 1.00 0.00 H new ATOM 938 N GLU A 77 -5.428 -0.360 6.704 1.00 0.00 N ATOM 939 CA GLU A 77 -5.492 0.910 7.474 1.00 0.00 C ATOM 940 C GLU A 77 -5.998 2.046 6.582 1.00 0.00 C ATOM 941 O GLU A 77 -6.666 2.951 7.039 1.00 0.00 O ATOM 942 CB GLU A 77 -4.055 1.174 7.921 1.00 0.00 C ATOM 943 CG GLU A 77 -3.688 0.211 9.054 1.00 0.00 C ATOM 944 CD GLU A 77 -2.487 0.760 9.824 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.703 1.498 10.771 1.00 0.00 O ATOM 946 OE2 GLU A 77 -1.371 0.431 9.457 1.00 0.00 O ATOM 0 H GLU A 77 -4.502 -0.782 6.637 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.176 0.846 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.372 1.043 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.951 2.205 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.537 0.084 9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.453 -0.773 8.647 1.00 0.00 H new ATOM 953 N ALA A 78 -5.692 2.008 5.310 1.00 0.00 N ATOM 954 CA ALA A 78 -6.163 3.093 4.402 1.00 0.00 C ATOM 955 C ALA A 78 -7.671 2.977 4.174 1.00 0.00 C ATOM 956 O ALA A 78 -8.390 3.957 4.189 1.00 0.00 O ATOM 957 CB ALA A 78 -5.405 2.872 3.092 1.00 0.00 C ATOM 0 H ALA A 78 -5.139 1.276 4.864 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.981 4.084 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.698 3.634 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.333 2.940 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.643 1.885 2.696 1.00 0.00 H new ATOM 963 N ALA A 79 -8.155 1.785 3.958 1.00 0.00 N ATOM 964 CA ALA A 79 -9.616 1.601 3.722 1.00 0.00 C ATOM 965 C ALA A 79 -10.431 2.170 4.888 1.00 0.00 C ATOM 966 O ALA A 79 -11.564 2.577 4.720 1.00 0.00 O ATOM 967 CB ALA A 79 -9.810 0.087 3.626 1.00 0.00 C ATOM 0 H ALA A 79 -7.601 0.929 3.935 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.952 2.120 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.863 -0.135 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.216 -0.304 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.490 -0.381 4.557 1.00 0.00 H new ATOM 973 N LYS A 80 -9.877 2.192 6.071 1.00 0.00 N ATOM 974 CA LYS A 80 -10.648 2.724 7.235 1.00 0.00 C ATOM 975 C LYS A 80 -10.032 4.022 7.776 1.00 0.00 C ATOM 976 O LYS A 80 -10.437 4.519 8.807 1.00 0.00 O ATOM 977 CB LYS A 80 -10.575 1.618 8.290 1.00 0.00 C ATOM 978 CG LYS A 80 -11.796 0.705 8.154 1.00 0.00 C ATOM 979 CD LYS A 80 -11.807 -0.313 9.296 1.00 0.00 C ATOM 980 CE LYS A 80 -13.131 -1.080 9.283 1.00 0.00 C ATOM 981 NZ LYS A 80 -12.750 -2.509 9.107 1.00 0.00 N ATOM 0 H LYS A 80 -8.933 1.868 6.282 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.672 2.972 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.659 1.040 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.542 2.054 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.710 1.298 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.772 0.189 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.972 -1.006 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.678 0.195 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.682 -0.930 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.775 -0.741 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.608 -3.097 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.233 -2.623 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.143 -2.806 9.898 1.00 0.00 H new ATOM 995 N LEU A 81 -9.066 4.580 7.098 1.00 0.00 N ATOM 996 CA LEU A 81 -8.452 5.847 7.603 1.00 0.00 C ATOM 997 C LEU A 81 -8.833 7.031 6.708 1.00 0.00 C ATOM 998 O LEU A 81 -9.140 8.106 7.184 1.00 0.00 O ATOM 999 CB LEU A 81 -6.942 5.611 7.558 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.496 4.911 8.844 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -4.982 4.690 8.810 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.853 5.786 10.047 1.00 0.00 C ATOM 0 H LEU A 81 -8.677 4.221 6.226 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.799 6.089 8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.684 5.002 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.418 6.560 7.448 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.001 3.949 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.666 4.192 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.724 4.069 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.476 5.652 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.536 5.290 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.346 6.747 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.931 5.945 10.074 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.808 6.848 5.416 1.00 0.00 N ATOM 1015 CA VAL A 82 -9.160 7.972 4.496 1.00 0.00 C ATOM 1016 C VAL A 82 -10.283 7.558 3.543 1.00 0.00 C ATOM 1017 O VAL A 82 -10.079 7.465 2.348 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.878 8.275 3.713 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.972 9.182 4.549 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.138 6.970 3.397 1.00 0.00 C ATOM 0 H VAL A 82 -8.560 5.972 4.957 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.517 8.844 5.044 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.139 8.775 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.060 9.398 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.493 10.114 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.717 8.681 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.228 7.193 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.879 6.464 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.780 6.324 2.799 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.438 7.331 4.106 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.614 6.929 3.298 1.00 0.00 C ATOM 1032 C PRO A 83 -13.183 8.142 2.557 1.00 0.00 C ATOM 1033 O PRO A 83 -14.002 8.014 1.669 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.605 6.420 4.338 1.00 0.00 C ATOM 1035 CG PRO A 83 -13.227 7.110 5.611 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.753 7.423 5.536 1.00 0.00 C ATOM 0 HA PRO A 83 -12.380 6.183 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.631 6.654 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.543 5.337 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.807 8.024 5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.441 6.474 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.536 8.417 5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.165 6.715 6.120 1.00 0.00 H new ATOM 1044 N MET A 84 -12.754 9.322 2.920 1.00 0.00 N ATOM 1045 CA MET A 84 -13.268 10.546 2.242 1.00 0.00 C ATOM 1046 C MET A 84 -12.117 11.518 1.960 1.00 0.00 C ATOM 1047 O MET A 84 -10.972 11.124 1.852 1.00 0.00 O ATOM 1048 CB MET A 84 -14.256 11.160 3.236 1.00 0.00 C ATOM 1049 CG MET A 84 -13.486 11.785 4.401 1.00 0.00 C ATOM 1050 SD MET A 84 -14.649 12.255 5.707 1.00 0.00 S ATOM 1051 CE MET A 84 -13.484 13.199 6.721 1.00 0.00 C ATOM 0 H MET A 84 -12.069 9.490 3.657 1.00 0.00 H new ATOM 0 HA MET A 84 -13.737 10.323 1.284 1.00 0.00 H new ATOM 0 HB2 MET A 84 -14.864 11.917 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.939 10.395 3.606 1.00 0.00 H new ATOM 0 HG2 MET A 84 -12.753 11.077 4.789 1.00 0.00 H new ATOM 0 HG3 MET A 84 -12.934 12.660 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.999 13.590 7.599 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.668 12.549 7.038 1.00 0.00 H new ATOM 0 HE3 MET A 84 -13.082 14.027 6.138 1.00 0.00 H new ATOM 1061 N GLY A 85 -12.413 12.785 1.839 1.00 0.00 N ATOM 1062 CA GLY A 85 -11.335 13.779 1.565 1.00 0.00 C ATOM 1063 C GLY A 85 -11.640 14.519 0.261 1.00 0.00 C ATOM 1064 O GLY A 85 -11.054 15.568 0.047 1.00 0.00 O ATOM 0 H GLY A 85 -13.353 13.174 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.262 14.488 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.371 13.275 1.492 1.00 0.00 H new TER 1068 GLY A 85