USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN :FLIP amide:sc= -2.35 F(o=-3.2,f=-2.6) USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -0.255 F(o=-4.3,f=-2.6) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 1 LEU N :NH3+ 165:sc= -0.0132 (180deg=-0.285) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 164:sc= 0.991 USER MOD Single : A 16 GLN : amide:sc= -5.6! C(o=-5.6!,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -60:sc= 0.262 USER MOD Single : A 29 TYR OH : rot 150:sc= -0.0589 USER MOD Single : A 31 THR OG1 : rot -100:sc= -0.384 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -2.36! (180deg=-3.99!) USER MOD Single : A 44 THR OG1 : rot 3:sc= -3.4 USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 0.0124 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.046) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -137:sc= -6.67! (180deg=-8.39!) USER MOD Single : A 69 THR OG1 : rot 19:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.389 -18.218 -7.195 1.00 0.00 N ATOM 2 CA LEU A 1 0.095 -18.724 -7.736 1.00 0.00 C ATOM 3 C LEU A 1 0.340 -20.004 -8.526 1.00 0.00 C ATOM 4 O LEU A 1 -0.304 -20.255 -9.545 1.00 0.00 O ATOM 5 CB LEU A 1 -0.521 -17.666 -8.655 1.00 0.00 C ATOM 6 CG LEU A 1 -1.294 -16.648 -7.816 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.289 -15.292 -8.524 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.739 -17.125 -7.642 1.00 0.00 C ATOM 0 H1 LEU A 1 1.273 -17.233 -6.881 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.682 -18.806 -6.389 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.116 -18.261 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 1 -0.588 -18.932 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.261 -17.164 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.187 -18.139 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.821 -16.549 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.840 -14.567 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.261 -14.952 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.762 -15.390 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.292 -16.400 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -3.210 -17.223 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.745 -18.091 -7.138 1.00 0.00 H new ATOM 22 N GLY A 2 1.281 -20.811 -8.045 1.00 0.00 N ATOM 23 CA GLY A 2 1.609 -22.068 -8.713 1.00 0.00 C ATOM 24 C GLY A 2 3.119 -22.234 -8.842 1.00 0.00 C ATOM 25 O GLY A 2 3.725 -23.073 -8.175 1.00 0.00 O ATOM 0 H GLY A 2 1.826 -20.621 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.193 -22.904 -8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.150 -22.090 -9.702 1.00 0.00 H new ATOM 29 N ALA A 3 3.719 -21.424 -9.709 1.00 0.00 N ATOM 30 CA ALA A 3 5.163 -21.486 -9.921 1.00 0.00 C ATOM 31 C ALA A 3 5.906 -21.142 -8.635 1.00 0.00 C ATOM 32 O ALA A 3 6.952 -21.715 -8.333 1.00 0.00 O ATOM 33 CB ALA A 3 5.586 -20.507 -11.019 1.00 0.00 C ATOM 0 H ALA A 3 3.235 -20.724 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 3 5.415 -22.502 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.665 -20.566 -11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.080 -20.764 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.315 -19.493 -10.726 1.00 0.00 H new ATOM 39 N SER A 4 5.351 -20.198 -7.879 1.00 0.00 N ATOM 40 CA SER A 4 5.965 -19.778 -6.620 1.00 0.00 C ATOM 41 C SER A 4 7.361 -19.215 -6.869 1.00 0.00 C ATOM 42 O SER A 4 8.258 -19.350 -6.036 1.00 0.00 O ATOM 43 CB SER A 4 6.067 -20.957 -5.652 1.00 0.00 C ATOM 44 OG SER A 4 4.765 -21.455 -5.379 1.00 0.00 O ATOM 0 H SER A 4 4.485 -19.712 -8.112 1.00 0.00 H new ATOM 0 HA SER A 4 5.335 -19.005 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.687 -21.743 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.550 -20.642 -4.727 1.00 0.00 H new ATOM 0 HG SER A 4 4.828 -22.212 -4.760 1.00 0.00 H new ATOM 50 N TRP A 5 7.534 -18.581 -8.024 1.00 0.00 N ATOM 51 CA TRP A 5 8.826 -17.998 -8.377 1.00 0.00 C ATOM 52 C TRP A 5 8.638 -16.576 -8.901 1.00 0.00 C ATOM 53 O TRP A 5 8.947 -15.600 -8.217 1.00 0.00 O ATOM 54 CB TRP A 5 9.525 -18.853 -9.448 1.00 0.00 C ATOM 55 CG TRP A 5 10.673 -19.595 -8.841 1.00 0.00 C ATOM 56 CD1 TRP A 5 10.741 -20.938 -8.692 1.00 0.00 C ATOM 57 CD2 TRP A 5 11.916 -19.060 -8.299 1.00 0.00 C ATOM 58 NE1 TRP A 5 11.946 -21.261 -8.094 1.00 0.00 N ATOM 59 CE2 TRP A 5 12.705 -20.139 -7.832 1.00 0.00 C ATOM 60 CE3 TRP A 5 12.429 -17.757 -8.169 1.00 0.00 C ATOM 61 CZ2 TRP A 5 13.958 -19.931 -7.256 1.00 0.00 C ATOM 62 CZ3 TRP A 5 13.691 -17.545 -7.590 1.00 0.00 C ATOM 63 CH2 TRP A 5 14.454 -18.629 -7.134 1.00 0.00 C ATOM 0 H TRP A 5 6.805 -18.458 -8.726 1.00 0.00 H new ATOM 0 HA TRP A 5 9.447 -17.971 -7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 5 8.816 -19.557 -9.883 1.00 0.00 H new ATOM 0 HB3 TRP A 5 9.880 -18.217 -10.258 1.00 0.00 H new ATOM 0 HD1 TRP A 5 9.979 -21.643 -8.991 1.00 0.00 H new ATOM 0 HE1 TRP A 5 12.238 -22.213 -7.874 1.00 0.00 H new ATOM 0 HE3 TRP A 5 11.849 -16.915 -8.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 14.542 -20.770 -6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 14.076 -16.540 -7.495 1.00 0.00 H new ATOM 0 HH2 TRP A 5 15.423 -18.459 -6.689 1.00 0.00 H new ATOM 74 N HIS A 6 8.131 -16.473 -10.124 1.00 0.00 N ATOM 75 CA HIS A 6 7.905 -15.169 -10.739 1.00 0.00 C ATOM 76 C HIS A 6 6.431 -14.783 -10.644 1.00 0.00 C ATOM 77 O HIS A 6 5.556 -15.640 -10.526 1.00 0.00 O ATOM 78 CB HIS A 6 8.320 -15.189 -12.211 1.00 0.00 C ATOM 79 CG HIS A 6 9.814 -15.052 -12.311 1.00 0.00 C ATOM 80 ND1 HIS A 6 10.432 -14.492 -13.419 1.00 0.00 N ATOM 81 CD2 HIS A 6 10.827 -15.396 -11.451 1.00 0.00 C ATOM 82 CE1 HIS A 6 11.758 -14.515 -13.198 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.055 -15.057 -12.014 1.00 0.00 N ATOM 0 H HIS A 6 7.870 -17.269 -10.706 1.00 0.00 H new ATOM 0 HA HIS A 6 8.509 -14.437 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.997 -16.119 -12.679 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.832 -14.376 -12.749 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.692 -15.859 -10.485 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.494 -14.140 -13.894 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.981 -15.193 -11.609 1.00 0.00 H new ATOM 91 N ARG A 7 6.168 -13.480 -10.697 1.00 0.00 N ATOM 92 CA ARG A 7 4.797 -12.981 -10.617 1.00 0.00 C ATOM 93 C ARG A 7 4.150 -13.395 -9.290 1.00 0.00 C ATOM 94 O ARG A 7 3.505 -14.440 -9.211 1.00 0.00 O ATOM 95 CB ARG A 7 3.957 -13.531 -11.773 1.00 0.00 C ATOM 96 CG ARG A 7 2.876 -12.515 -12.147 1.00 0.00 C ATOM 97 CD ARG A 7 1.674 -13.245 -12.747 1.00 0.00 C ATOM 98 NE ARG A 7 0.434 -12.518 -12.467 1.00 0.00 N ATOM 99 CZ ARG A 7 -0.773 -13.082 -12.614 1.00 0.00 C ATOM 100 NH1 ARG A 7 -0.899 -14.323 -13.020 1.00 0.00 N ATOM 101 NH2 ARG A 7 -1.843 -12.383 -12.349 1.00 0.00 N ATOM 0 H ARG A 7 6.879 -12.755 -10.794 1.00 0.00 H new ATOM 0 HA ARG A 7 4.833 -11.893 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.593 -13.734 -12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.498 -14.477 -11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.570 -11.953 -11.265 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.272 -11.794 -12.863 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.806 -13.348 -13.824 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.612 -14.252 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 7 0.491 -11.550 -12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.069 -14.878 -13.230 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.827 -14.733 -13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.756 -11.417 -12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.766 -12.803 -12.458 1.00 0.00 H new ATOM 115 N PRO A 8 4.312 -12.585 -8.229 1.00 0.00 N ATOM 116 CA PRO A 8 3.728 -12.900 -6.913 1.00 0.00 C ATOM 117 C PRO A 8 2.258 -12.499 -6.813 1.00 0.00 C ATOM 118 O PRO A 8 1.697 -11.907 -7.735 1.00 0.00 O ATOM 119 CB PRO A 8 4.582 -12.064 -5.969 1.00 0.00 C ATOM 120 CG PRO A 8 5.162 -10.916 -6.788 1.00 0.00 C ATOM 121 CD PRO A 8 5.078 -11.317 -8.265 1.00 0.00 C ATOM 0 HA PRO A 8 3.734 -13.968 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.982 -11.683 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.378 -12.667 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.605 -9.997 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.196 -10.724 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.571 -10.557 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.067 -11.456 -8.701 1.00 0.00 H new ATOM 129 N ASP A 9 1.643 -12.829 -5.681 1.00 0.00 N ATOM 130 CA ASP A 9 0.236 -12.499 -5.465 1.00 0.00 C ATOM 131 C ASP A 9 0.056 -10.989 -5.341 1.00 0.00 C ATOM 132 O ASP A 9 0.642 -10.349 -4.469 1.00 0.00 O ATOM 133 CB ASP A 9 -0.282 -13.170 -4.192 1.00 0.00 C ATOM 134 CG ASP A 9 -1.801 -13.287 -4.262 1.00 0.00 C ATOM 135 OD1 ASP A 9 -2.297 -13.691 -5.300 1.00 0.00 O ATOM 136 OD2 ASP A 9 -2.446 -12.974 -3.274 1.00 0.00 O ATOM 0 H ASP A 9 2.090 -13.319 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.331 -12.863 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.165 -14.158 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.009 -12.588 -3.317 1.00 0.00 H new ATOM 141 N LYS A 10 -0.762 -10.429 -6.227 1.00 0.00 N ATOM 142 CA LYS A 10 -1.017 -8.991 -6.211 1.00 0.00 C ATOM 143 C LYS A 10 -1.792 -8.602 -4.956 1.00 0.00 C ATOM 144 O LYS A 10 -1.620 -7.510 -4.415 1.00 0.00 O ATOM 145 CB LYS A 10 -1.821 -8.574 -7.444 1.00 0.00 C ATOM 146 CG LYS A 10 -1.582 -7.092 -7.733 1.00 0.00 C ATOM 147 CD LYS A 10 -0.282 -6.928 -8.524 1.00 0.00 C ATOM 148 CE LYS A 10 -0.570 -7.079 -10.019 1.00 0.00 C ATOM 149 NZ LYS A 10 0.698 -6.934 -10.786 1.00 0.00 N ATOM 0 H LYS A 10 -1.255 -10.942 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.055 -8.479 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.526 -9.175 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.883 -8.756 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.418 -6.682 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.524 -6.533 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.156 -5.950 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.446 -7.674 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.018 -8.053 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.290 -6.326 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.503 -7.037 -11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.108 -5.995 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.371 -7.669 -10.487 1.00 0.00 H new ATOM 163 N CYS A 11 -2.651 -9.510 -4.502 1.00 0.00 N ATOM 164 CA CYS A 11 -3.454 -9.256 -3.308 1.00 0.00 C ATOM 165 C CYS A 11 -2.590 -9.269 -2.043 1.00 0.00 C ATOM 166 O CYS A 11 -3.011 -8.786 -0.992 1.00 0.00 O ATOM 167 CB CYS A 11 -4.553 -10.312 -3.172 1.00 0.00 C ATOM 168 SG CYS A 11 -5.550 -10.343 -4.683 1.00 0.00 S ATOM 0 H CYS A 11 -2.809 -10.419 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.902 -8.268 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.110 -11.292 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.184 -10.087 -2.312 1.00 0.00 H new ATOM 173 N CYS A 12 -1.379 -9.826 -2.149 1.00 0.00 N ATOM 174 CA CYS A 12 -0.468 -9.891 -1.003 1.00 0.00 C ATOM 175 C CYS A 12 -1.033 -10.801 0.082 1.00 0.00 C ATOM 176 O CYS A 12 -2.104 -10.544 0.632 1.00 0.00 O ATOM 177 CB CYS A 12 -0.231 -8.502 -0.401 1.00 0.00 C ATOM 178 SG CYS A 12 0.294 -7.351 -1.695 1.00 0.00 S ATOM 0 H CYS A 12 -1.010 -10.234 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 12 0.478 -10.291 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.144 -8.140 0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.529 -8.559 0.378 1.00 0.00 H new ATOM 183 N LEU A 13 -0.292 -11.860 0.393 1.00 0.00 N ATOM 184 CA LEU A 13 -0.721 -12.796 1.427 1.00 0.00 C ATOM 185 C LEU A 13 -0.764 -12.090 2.777 1.00 0.00 C ATOM 186 O LEU A 13 -1.612 -12.379 3.622 1.00 0.00 O ATOM 187 CB LEU A 13 0.240 -13.982 1.512 1.00 0.00 C ATOM 188 CG LEU A 13 0.549 -14.666 0.178 1.00 0.00 C ATOM 189 CD1 LEU A 13 1.940 -15.299 0.238 1.00 0.00 C ATOM 190 CD2 LEU A 13 -0.494 -15.753 -0.090 1.00 0.00 C ATOM 0 H LEU A 13 0.598 -12.090 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.715 -13.161 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.177 -13.640 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.181 -14.722 2.193 1.00 0.00 H new ATOM 0 HG LEU A 13 0.521 -13.928 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.159 -15.786 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.684 -14.526 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.970 -16.037 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.275 -16.241 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.465 -16.491 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.486 -15.303 -0.133 1.00 0.00 H new ATOM 202 N GLY A 14 0.162 -11.152 2.963 1.00 0.00 N ATOM 203 CA GLY A 14 0.230 -10.392 4.208 1.00 0.00 C ATOM 204 C GLY A 14 0.104 -8.899 3.927 1.00 0.00 C ATOM 205 O GLY A 14 -0.455 -8.489 2.910 1.00 0.00 O ATOM 0 H GLY A 14 0.870 -10.902 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.567 -10.711 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.174 -10.595 4.714 1.00 0.00 H new ATOM 209 N TYR A 15 0.629 -8.088 4.841 1.00 0.00 N ATOM 210 CA TYR A 15 0.568 -6.636 4.680 1.00 0.00 C ATOM 211 C TYR A 15 1.813 -5.985 5.275 1.00 0.00 C ATOM 212 O TYR A 15 2.638 -6.652 5.901 1.00 0.00 O ATOM 213 CB TYR A 15 -0.671 -6.073 5.377 1.00 0.00 C ATOM 214 CG TYR A 15 -1.912 -6.554 4.663 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.470 -7.798 4.981 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.502 -5.754 3.679 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.618 -8.241 4.313 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.649 -6.194 3.012 1.00 0.00 C ATOM 219 CZ TYR A 15 -4.208 -7.440 3.329 1.00 0.00 C ATOM 220 OH TYR A 15 -5.340 -7.875 2.670 1.00 0.00 O ATOM 0 H TYR A 15 1.096 -8.405 5.691 1.00 0.00 H new ATOM 0 HA TYR A 15 0.515 -6.415 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.691 -6.392 6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.638 -4.984 5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.015 -8.416 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.071 -4.795 3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.048 -9.201 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.104 -5.575 2.253 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.761 -7.119 2.209 1.00 0.00 H new ATOM 230 N GLN A 16 1.943 -4.672 5.074 1.00 0.00 N ATOM 231 CA GLN A 16 3.100 -3.941 5.602 1.00 0.00 C ATOM 232 C GLN A 16 3.172 -4.107 7.123 1.00 0.00 C ATOM 233 O GLN A 16 4.246 -4.272 7.699 1.00 0.00 O ATOM 234 CB GLN A 16 3.004 -2.445 5.255 1.00 0.00 C ATOM 235 CG GLN A 16 4.386 -1.920 4.843 1.00 0.00 C ATOM 236 CD GLN A 16 5.287 -1.803 6.066 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.366 -0.744 6.685 1.00 0.00 O ATOM 238 NE2 GLN A 16 5.988 -2.835 6.449 1.00 0.00 N ATOM 0 H GLN A 16 1.274 -4.100 4.558 1.00 0.00 H new ATOM 0 HA GLN A 16 4.001 -4.351 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.291 -2.295 4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.633 -1.886 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.836 -2.592 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.285 -0.947 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.923 -3.714 5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.601 -2.762 7.261 1.00 0.00 H new ATOM 247 N LYS A 17 2.000 -4.076 7.758 1.00 0.00 N ATOM 248 CA LYS A 17 1.907 -4.237 9.213 1.00 0.00 C ATOM 249 C LYS A 17 2.581 -3.084 9.966 1.00 0.00 C ATOM 250 O LYS A 17 2.784 -3.166 11.178 1.00 0.00 O ATOM 251 CB LYS A 17 2.555 -5.555 9.651 1.00 0.00 C ATOM 252 CG LYS A 17 1.849 -6.078 10.904 1.00 0.00 C ATOM 253 CD LYS A 17 2.307 -7.510 11.187 1.00 0.00 C ATOM 254 CE LYS A 17 1.455 -8.106 12.309 1.00 0.00 C ATOM 255 NZ LYS A 17 2.108 -9.342 12.825 1.00 0.00 N ATOM 0 H LYS A 17 1.103 -3.941 7.291 1.00 0.00 H new ATOM 0 HA LYS A 17 0.845 -4.239 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.488 -6.290 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.615 -5.402 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.075 -5.437 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.768 -6.051 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.217 -8.117 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.359 -7.517 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.336 -7.381 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.456 -8.337 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.529 -9.748 13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.199 -10.034 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.052 -9.108 13.194 1.00 0.00 H new ATOM 269 N ARG A 18 2.915 -2.007 9.255 1.00 0.00 N ATOM 270 CA ARG A 18 3.551 -0.859 9.895 1.00 0.00 C ATOM 271 C ARG A 18 3.111 0.437 9.204 1.00 0.00 C ATOM 272 O ARG A 18 2.906 0.452 7.990 1.00 0.00 O ATOM 273 CB ARG A 18 5.076 -0.973 9.819 1.00 0.00 C ATOM 274 CG ARG A 18 5.567 -1.998 10.842 1.00 0.00 C ATOM 275 CD ARG A 18 5.472 -1.406 12.251 1.00 0.00 C ATOM 276 NE ARG A 18 6.759 -0.838 12.660 1.00 0.00 N ATOM 277 CZ ARG A 18 6.889 -0.087 13.763 1.00 0.00 C ATOM 278 NH1 ARG A 18 5.858 0.174 14.533 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.061 0.394 14.077 1.00 0.00 N ATOM 0 H ARG A 18 2.759 -1.907 8.252 1.00 0.00 H new ATOM 0 HA ARG A 18 3.246 -0.842 10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.379 -1.273 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.533 -0.003 10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.968 -2.906 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.597 -2.279 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.703 -0.634 12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.169 -2.180 12.957 1.00 0.00 H new ATOM 0 HE ARG A 18 7.583 -1.020 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.938 -0.197 14.296 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.977 0.747 15.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.868 0.198 13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.170 0.966 14.914 1.00 0.00 H new ATOM 293 N PRO A 19 2.948 1.541 9.956 1.00 0.00 N ATOM 294 CA PRO A 19 2.519 2.822 9.369 1.00 0.00 C ATOM 295 C PRO A 19 3.670 3.624 8.765 1.00 0.00 C ATOM 296 O PRO A 19 4.686 3.871 9.416 1.00 0.00 O ATOM 297 CB PRO A 19 1.926 3.545 10.572 1.00 0.00 C ATOM 298 CG PRO A 19 2.562 2.939 11.818 1.00 0.00 C ATOM 299 CD PRO A 19 3.173 1.592 11.419 1.00 0.00 C ATOM 0 HA PRO A 19 1.830 2.685 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.129 4.614 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.843 3.427 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.328 3.603 12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.816 2.804 12.601 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.234 1.542 11.666 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.687 0.761 11.931 1.00 0.00 H new ATOM 307 N LEU A 20 3.491 4.032 7.511 1.00 0.00 N ATOM 308 CA LEU A 20 4.514 4.815 6.817 1.00 0.00 C ATOM 309 C LEU A 20 4.104 6.293 6.777 1.00 0.00 C ATOM 310 O LEU A 20 2.918 6.611 6.862 1.00 0.00 O ATOM 311 CB LEU A 20 4.721 4.314 5.373 1.00 0.00 C ATOM 312 CG LEU A 20 4.233 2.890 5.076 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.608 2.513 3.641 1.00 0.00 C ATOM 314 CD2 LEU A 20 4.890 1.905 6.047 1.00 0.00 C ATOM 0 H LEU A 20 2.657 3.837 6.958 1.00 0.00 H new ATOM 0 HA LEU A 20 5.449 4.699 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.212 4.999 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.785 4.368 5.140 1.00 0.00 H new ATOM 0 HG LEU A 20 3.150 2.848 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.262 1.501 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.139 3.210 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.691 2.558 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.541 0.895 5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.973 1.947 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.625 2.171 7.070 1.00 0.00 H new ATOM 326 N PRO A 21 5.070 7.217 6.642 1.00 0.00 N ATOM 327 CA PRO A 21 4.764 8.656 6.587 1.00 0.00 C ATOM 328 C PRO A 21 4.337 9.107 5.193 1.00 0.00 C ATOM 329 O PRO A 21 4.975 8.773 4.196 1.00 0.00 O ATOM 330 CB PRO A 21 6.096 9.290 6.975 1.00 0.00 C ATOM 331 CG PRO A 21 7.184 8.274 6.643 1.00 0.00 C ATOM 332 CD PRO A 21 6.513 6.899 6.535 1.00 0.00 C ATOM 0 HA PRO A 21 3.931 8.933 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.255 10.219 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.111 9.539 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.679 8.534 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.951 8.267 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.748 6.409 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.838 6.229 7.331 1.00 0.00 H new ATOM 340 N GLN A 22 3.255 9.874 5.135 1.00 0.00 N ATOM 341 CA GLN A 22 2.757 10.374 3.855 1.00 0.00 C ATOM 342 C GLN A 22 3.748 11.359 3.221 1.00 0.00 C ATOM 343 O GLN A 22 3.631 11.695 2.043 1.00 0.00 O ATOM 344 CB GLN A 22 1.412 11.077 4.046 1.00 0.00 C ATOM 345 CG GLN A 22 0.736 11.271 2.686 1.00 0.00 C ATOM 346 CD GLN A 22 1.064 12.659 2.147 1.00 0.00 C ATOM 347 OE1 GLN A 22 1.527 12.782 0.933 1.00 0.00 O flip ATOM 348 NE2 GLN A 22 0.893 13.660 2.845 1.00 0.00 N flip ATOM 0 H GLN A 22 2.710 10.162 5.948 1.00 0.00 H new ATOM 0 HA GLN A 22 2.636 9.517 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.771 10.486 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.560 12.042 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.077 10.508 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.343 11.153 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.531 13.564 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.113 14.584 2.474 1.00 0.00 H new ATOM 357 N VAL A 23 4.720 11.827 4.013 1.00 0.00 N ATOM 358 CA VAL A 23 5.712 12.779 3.518 1.00 0.00 C ATOM 359 C VAL A 23 6.420 12.248 2.269 1.00 0.00 C ATOM 360 O VAL A 23 6.801 13.009 1.380 1.00 0.00 O ATOM 361 CB VAL A 23 6.741 13.080 4.621 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.513 11.807 4.986 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.724 14.148 4.143 1.00 0.00 C ATOM 0 H VAL A 23 4.838 11.563 4.991 1.00 0.00 H new ATOM 0 HA VAL A 23 5.194 13.698 3.243 1.00 0.00 H new ATOM 0 HB VAL A 23 6.210 13.444 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.238 12.033 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.816 11.049 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.034 11.432 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.449 14.354 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.245 13.791 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.180 15.061 3.902 1.00 0.00 H new ATOM 373 N LEU A 24 6.577 10.935 2.213 1.00 0.00 N ATOM 374 CA LEU A 24 7.225 10.298 1.071 1.00 0.00 C ATOM 375 C LEU A 24 6.181 9.633 0.185 1.00 0.00 C ATOM 376 O LEU A 24 6.346 9.523 -1.029 1.00 0.00 O ATOM 377 CB LEU A 24 8.215 9.232 1.543 1.00 0.00 C ATOM 378 CG LEU A 24 7.604 8.106 2.388 1.00 0.00 C ATOM 379 CD1 LEU A 24 6.916 7.075 1.481 1.00 0.00 C ATOM 380 CD2 LEU A 24 8.711 7.428 3.194 1.00 0.00 C ATOM 0 H LEU A 24 6.267 10.290 2.940 1.00 0.00 H new ATOM 0 HA LEU A 24 7.757 11.066 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.694 8.791 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.998 9.718 2.125 1.00 0.00 H new ATOM 0 HG LEU A 24 6.860 8.526 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.487 6.281 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.125 7.562 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.648 6.649 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.284 6.627 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.455 7.013 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.186 8.160 3.847 1.00 0.00 H new ATOM 392 N LEU A 25 5.109 9.166 0.821 1.00 0.00 N ATOM 393 CA LEU A 25 4.036 8.485 0.099 1.00 0.00 C ATOM 394 C LEU A 25 3.466 9.370 -1.005 1.00 0.00 C ATOM 395 O LEU A 25 3.453 10.596 -0.899 1.00 0.00 O ATOM 396 CB LEU A 25 2.911 8.093 1.058 1.00 0.00 C ATOM 397 CG LEU A 25 2.177 6.790 0.719 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.189 5.656 0.545 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.216 6.442 1.857 1.00 0.00 C ATOM 0 H LEU A 25 4.960 9.245 1.827 1.00 0.00 H new ATOM 0 HA LEU A 25 4.462 7.589 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.327 8.004 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.182 8.903 1.086 1.00 0.00 H new ATOM 0 HG LEU A 25 1.619 6.920 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.663 4.732 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.877 5.903 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.750 5.523 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.692 5.516 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.778 6.314 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.492 7.247 1.981 1.00 0.00 H new ATOM 411 N SER A 26 2.997 8.725 -2.068 1.00 0.00 N ATOM 412 CA SER A 26 2.427 9.453 -3.200 1.00 0.00 C ATOM 413 C SER A 26 0.926 9.189 -3.322 1.00 0.00 C ATOM 414 O SER A 26 0.107 10.085 -3.116 1.00 0.00 O ATOM 415 CB SER A 26 3.116 9.040 -4.502 1.00 0.00 C ATOM 416 OG SER A 26 3.244 10.178 -5.346 1.00 0.00 O ATOM 0 H SER A 26 2.999 7.710 -2.171 1.00 0.00 H new ATOM 0 HA SER A 26 2.587 10.517 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.098 8.618 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.537 8.264 -5.003 1.00 0.00 H new ATOM 0 HG SER A 26 3.687 9.918 -6.181 1.00 0.00 H new ATOM 422 N SER A 27 0.575 7.952 -3.668 1.00 0.00 N ATOM 423 CA SER A 27 -0.832 7.584 -3.825 1.00 0.00 C ATOM 424 C SER A 27 -1.033 6.098 -3.534 1.00 0.00 C ATOM 425 O SER A 27 -0.129 5.417 -3.051 1.00 0.00 O ATOM 426 CB SER A 27 -1.302 7.881 -5.251 1.00 0.00 C ATOM 427 OG SER A 27 -0.688 6.964 -6.147 1.00 0.00 O ATOM 0 H SER A 27 1.236 7.195 -3.843 1.00 0.00 H new ATOM 0 HA SER A 27 -1.416 8.173 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.387 7.798 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.044 8.904 -5.526 1.00 0.00 H new ATOM 0 HG SER A 27 0.286 7.060 -6.097 1.00 0.00 H new ATOM 433 N TRP A 28 -2.232 5.608 -3.835 1.00 0.00 N ATOM 434 CA TRP A 28 -2.559 4.202 -3.607 1.00 0.00 C ATOM 435 C TRP A 28 -3.567 3.725 -4.650 1.00 0.00 C ATOM 436 O TRP A 28 -4.220 4.531 -5.310 1.00 0.00 O ATOM 437 CB TRP A 28 -3.160 4.013 -2.209 1.00 0.00 C ATOM 438 CG TRP A 28 -4.349 4.909 -2.055 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.305 6.200 -1.651 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.750 4.605 -2.310 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.591 6.710 -1.644 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.517 5.762 -2.043 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.425 3.447 -2.742 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.904 5.770 -2.204 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.818 3.453 -2.903 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.556 4.613 -2.635 1.00 0.00 C ATOM 0 H TRP A 28 -2.991 6.160 -4.235 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.642 3.619 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.453 2.973 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.416 4.243 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.412 6.743 -1.379 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.827 7.666 -1.378 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.865 2.547 -2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.469 6.666 -1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.324 2.559 -3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.629 4.612 -2.762 1.00 0.00 H new ATOM 457 N TYR A 29 -3.698 2.409 -4.781 1.00 0.00 N ATOM 458 CA TYR A 29 -4.652 1.857 -5.742 1.00 0.00 C ATOM 459 C TYR A 29 -5.188 0.498 -5.254 1.00 0.00 C ATOM 460 O TYR A 29 -4.428 -0.313 -4.725 1.00 0.00 O ATOM 461 CB TYR A 29 -4.004 1.719 -7.133 1.00 0.00 C ATOM 462 CG TYR A 29 -3.000 0.587 -7.164 1.00 0.00 C ATOM 463 CD1 TYR A 29 -3.438 -0.727 -7.359 1.00 0.00 C ATOM 464 CD2 TYR A 29 -1.637 0.854 -7.008 1.00 0.00 C ATOM 465 CE1 TYR A 29 -2.513 -1.776 -7.396 1.00 0.00 C ATOM 466 CE2 TYR A 29 -0.711 -0.193 -7.044 1.00 0.00 C ATOM 467 CZ TYR A 29 -1.148 -1.508 -7.239 1.00 0.00 C ATOM 468 OH TYR A 29 -0.234 -2.542 -7.277 1.00 0.00 O ATOM 0 H TYR A 29 -3.170 1.717 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.492 2.546 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.777 1.542 -7.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.510 2.653 -7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.491 -0.932 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.299 1.869 -6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.851 -2.791 -7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.342 0.013 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 29 0.619 -2.212 -7.628 1.00 0.00 H new ATOM 478 N PRO A 30 -6.497 0.229 -5.416 1.00 0.00 N ATOM 479 CA PRO A 30 -7.086 -1.045 -4.966 1.00 0.00 C ATOM 480 C PRO A 30 -6.867 -2.183 -5.960 1.00 0.00 C ATOM 481 O PRO A 30 -6.994 -2.003 -7.171 1.00 0.00 O ATOM 482 CB PRO A 30 -8.566 -0.701 -4.856 1.00 0.00 C ATOM 483 CG PRO A 30 -8.819 0.484 -5.780 1.00 0.00 C ATOM 484 CD PRO A 30 -7.467 1.154 -6.050 1.00 0.00 C ATOM 0 HA PRO A 30 -6.637 -1.406 -4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.182 -1.553 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.828 -0.451 -3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.276 0.152 -6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.511 1.189 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.279 1.265 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.417 2.151 -5.613 1.00 0.00 H new ATOM 492 N THR A 31 -6.540 -3.357 -5.429 1.00 0.00 N ATOM 493 CA THR A 31 -6.306 -4.526 -6.271 1.00 0.00 C ATOM 494 C THR A 31 -7.560 -5.392 -6.330 1.00 0.00 C ATOM 495 O THR A 31 -8.563 -5.105 -5.677 1.00 0.00 O ATOM 496 CB THR A 31 -5.141 -5.357 -5.721 1.00 0.00 C ATOM 497 OG1 THR A 31 -5.015 -6.560 -6.466 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.396 -5.688 -4.250 1.00 0.00 C ATOM 0 H THR A 31 -6.432 -3.524 -4.429 1.00 0.00 H new ATOM 0 HA THR A 31 -6.057 -4.180 -7.274 1.00 0.00 H new ATOM 0 HB THR A 31 -4.218 -4.783 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.429 -7.297 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.567 -6.279 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.482 -4.764 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.321 -6.258 -4.160 1.00 0.00 H new ATOM 506 N SER A 32 -7.492 -6.455 -7.125 1.00 0.00 N ATOM 507 CA SER A 32 -8.623 -7.364 -7.273 1.00 0.00 C ATOM 508 C SER A 32 -8.989 -7.992 -5.932 1.00 0.00 C ATOM 509 O SER A 32 -8.118 -8.391 -5.158 1.00 0.00 O ATOM 510 CB SER A 32 -8.281 -8.471 -8.269 1.00 0.00 C ATOM 511 OG SER A 32 -7.394 -9.399 -7.657 1.00 0.00 O ATOM 0 H SER A 32 -6.670 -6.707 -7.674 1.00 0.00 H new ATOM 0 HA SER A 32 -9.473 -6.790 -7.641 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.190 -8.979 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.821 -8.044 -9.160 1.00 0.00 H new ATOM 0 HG SER A 32 -7.175 -10.111 -8.294 1.00 0.00 H new ATOM 517 N GLN A 33 -10.290 -8.076 -5.665 1.00 0.00 N ATOM 518 CA GLN A 33 -10.766 -8.657 -4.413 1.00 0.00 C ATOM 519 C GLN A 33 -11.208 -10.103 -4.628 1.00 0.00 C ATOM 520 O GLN A 33 -12.105 -10.599 -3.947 1.00 0.00 O ATOM 521 CB GLN A 33 -11.946 -7.850 -3.866 1.00 0.00 C ATOM 522 CG GLN A 33 -11.426 -6.762 -2.924 1.00 0.00 C ATOM 523 CD GLN A 33 -12.314 -5.526 -3.033 1.00 0.00 C ATOM 524 OE1 GLN A 33 -12.510 -4.990 -4.124 1.00 0.00 O ATOM 525 NE2 GLN A 33 -12.867 -5.039 -1.957 1.00 0.00 N ATOM 0 H GLN A 33 -11.027 -7.753 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.945 -8.633 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.504 -7.399 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.635 -8.507 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.419 -7.128 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.397 -6.507 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.704 -5.484 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.463 -4.213 -2.019 1.00 0.00 H new ATOM 534 N LEU A 34 -10.568 -10.773 -5.582 1.00 0.00 N ATOM 535 CA LEU A 34 -10.902 -12.163 -5.881 1.00 0.00 C ATOM 536 C LEU A 34 -10.125 -13.110 -4.968 1.00 0.00 C ATOM 537 O LEU A 34 -10.595 -14.198 -4.637 1.00 0.00 O ATOM 538 CB LEU A 34 -10.566 -12.491 -7.337 1.00 0.00 C ATOM 539 CG LEU A 34 -10.865 -11.375 -8.341 1.00 0.00 C ATOM 540 CD1 LEU A 34 -10.048 -11.601 -9.613 1.00 0.00 C ATOM 541 CD2 LEU A 34 -12.355 -11.386 -8.681 1.00 0.00 C ATOM 0 H LEU A 34 -9.822 -10.381 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.971 -12.294 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.507 -12.742 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.123 -13.381 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.598 -10.412 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.261 -10.806 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.986 -11.595 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.314 -12.563 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.571 -10.592 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.622 -12.349 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.937 -11.225 -7.773 1.00 0.00 H new ATOM 553 N CYS A 35 -8.930 -12.682 -4.567 1.00 0.00 N ATOM 554 CA CYS A 35 -8.088 -13.500 -3.693 1.00 0.00 C ATOM 555 C CYS A 35 -8.804 -13.780 -2.373 1.00 0.00 C ATOM 556 O CYS A 35 -9.978 -13.452 -2.206 1.00 0.00 O ATOM 557 CB CYS A 35 -6.763 -12.787 -3.398 1.00 0.00 C ATOM 558 SG CYS A 35 -5.971 -12.298 -4.951 1.00 0.00 S ATOM 0 H CYS A 35 -8.525 -11.783 -4.829 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.887 -14.440 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.942 -11.909 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.103 -13.446 -2.834 1.00 0.00 H new ATOM 563 N SER A 36 -8.081 -14.390 -1.438 1.00 0.00 N ATOM 564 CA SER A 36 -8.657 -14.712 -0.135 1.00 0.00 C ATOM 565 C SER A 36 -8.579 -13.506 0.798 1.00 0.00 C ATOM 566 O SER A 36 -9.445 -13.305 1.648 1.00 0.00 O ATOM 567 CB SER A 36 -7.913 -15.887 0.502 1.00 0.00 C ATOM 568 OG SER A 36 -8.321 -16.022 1.858 1.00 0.00 O ATOM 0 H SER A 36 -7.107 -14.669 -1.555 1.00 0.00 H new ATOM 0 HA SER A 36 -9.702 -14.984 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.123 -16.805 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.837 -15.723 0.449 1.00 0.00 H new ATOM 0 HG SER A 36 -7.847 -16.775 2.269 1.00 0.00 H new ATOM 574 N LYS A 37 -7.530 -12.707 0.627 1.00 0.00 N ATOM 575 CA LYS A 37 -7.346 -11.520 1.461 1.00 0.00 C ATOM 576 C LYS A 37 -6.779 -10.363 0.630 1.00 0.00 C ATOM 577 O LYS A 37 -5.564 -10.173 0.575 1.00 0.00 O ATOM 578 CB LYS A 37 -6.392 -11.815 2.623 1.00 0.00 C ATOM 579 CG LYS A 37 -5.114 -12.481 2.096 1.00 0.00 C ATOM 580 CD LYS A 37 -5.177 -13.990 2.348 1.00 0.00 C ATOM 581 CE LYS A 37 -3.768 -14.580 2.268 1.00 0.00 C ATOM 582 NZ LYS A 37 -3.512 -15.070 0.884 1.00 0.00 N ATOM 0 H LYS A 37 -6.802 -12.855 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.321 -11.239 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.142 -10.890 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.879 -12.467 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.003 -12.285 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.240 -12.056 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.610 -14.188 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.824 -14.466 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.030 -13.825 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.664 -15.399 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.788 -15.816 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.392 -15.454 0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.177 -14.282 0.293 1.00 0.00 H new ATOM 596 N PRO A 38 -7.646 -9.572 -0.024 1.00 0.00 N ATOM 597 CA PRO A 38 -7.195 -8.434 -0.846 1.00 0.00 C ATOM 598 C PRO A 38 -6.915 -7.184 -0.015 1.00 0.00 C ATOM 599 O PRO A 38 -7.199 -7.140 1.182 1.00 0.00 O ATOM 600 CB PRO A 38 -8.384 -8.211 -1.772 1.00 0.00 C ATOM 601 CG PRO A 38 -9.612 -8.782 -1.070 1.00 0.00 C ATOM 602 CD PRO A 38 -9.117 -9.753 0.006 1.00 0.00 C ATOM 0 HA PRO A 38 -6.255 -8.635 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.517 -7.149 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.224 -8.705 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.204 -7.983 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.257 -9.296 -1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.532 -9.514 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.401 -10.781 -0.218 1.00 0.00 H new ATOM 610 N GLY A 39 -6.352 -6.169 -0.666 1.00 0.00 N ATOM 611 CA GLY A 39 -6.035 -4.919 0.020 1.00 0.00 C ATOM 612 C GLY A 39 -5.721 -3.818 -0.986 1.00 0.00 C ATOM 613 O GLY A 39 -6.309 -3.755 -2.065 1.00 0.00 O ATOM 0 H GLY A 39 -6.108 -6.186 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.875 -4.618 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.182 -5.068 0.682 1.00 0.00 H new ATOM 617 N VAL A 40 -4.783 -2.947 -0.621 1.00 0.00 N ATOM 618 CA VAL A 40 -4.396 -1.848 -1.501 1.00 0.00 C ATOM 619 C VAL A 40 -2.886 -1.649 -1.478 1.00 0.00 C ATOM 620 O VAL A 40 -2.252 -1.713 -0.424 1.00 0.00 O ATOM 621 CB VAL A 40 -5.068 -0.540 -1.069 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.821 0.534 -2.121 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.572 -0.759 -0.917 1.00 0.00 C ATOM 0 H VAL A 40 -4.282 -2.980 0.267 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.719 -2.107 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.648 -0.221 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.300 1.463 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.749 0.697 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.238 0.211 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.046 0.173 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.991 -1.082 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.754 -1.524 -0.163 1.00 0.00 H new ATOM 633 N ILE A 41 -2.318 -1.392 -2.651 1.00 0.00 N ATOM 634 CA ILE A 41 -0.882 -1.167 -2.754 1.00 0.00 C ATOM 635 C ILE A 41 -0.608 0.336 -2.823 1.00 0.00 C ATOM 636 O ILE A 41 -0.964 1.007 -3.791 1.00 0.00 O ATOM 637 CB ILE A 41 -0.309 -1.908 -3.990 1.00 0.00 C ATOM 638 CG1 ILE A 41 0.103 -3.322 -3.562 1.00 0.00 C ATOM 639 CG2 ILE A 41 0.916 -1.191 -4.600 1.00 0.00 C ATOM 640 CD1 ILE A 41 1.246 -3.268 -2.541 1.00 0.00 C ATOM 0 H ILE A 41 -2.824 -1.335 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.383 -1.568 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.086 -1.930 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.753 -3.840 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.415 -3.895 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.275 -1.754 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.630 -0.187 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.708 -1.125 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.523 -4.282 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.108 -2.770 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.921 -2.714 -1.660 1.00 0.00 H new ATOM 652 N PHE A 42 0.045 0.843 -1.788 1.00 0.00 N ATOM 653 CA PHE A 42 0.385 2.256 -1.743 1.00 0.00 C ATOM 654 C PHE A 42 1.643 2.497 -2.568 1.00 0.00 C ATOM 655 O PHE A 42 2.677 1.865 -2.344 1.00 0.00 O ATOM 656 CB PHE A 42 0.638 2.707 -0.298 1.00 0.00 C ATOM 657 CG PHE A 42 -0.578 3.414 0.246 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.620 2.677 0.820 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.658 4.809 0.185 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.742 3.336 1.334 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.782 5.468 0.696 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.824 4.731 1.271 1.00 0.00 C ATOM 0 H PHE A 42 0.347 0.304 -0.977 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.449 2.829 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.875 1.844 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.501 3.372 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.558 1.600 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.147 5.377 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.545 2.768 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.845 6.545 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.691 5.239 1.666 1.00 0.00 H new ATOM 672 N LEU A 43 1.546 3.415 -3.521 1.00 0.00 N ATOM 673 CA LEU A 43 2.686 3.734 -4.373 1.00 0.00 C ATOM 674 C LEU A 43 3.404 4.964 -3.839 1.00 0.00 C ATOM 675 O LEU A 43 2.984 6.096 -4.080 1.00 0.00 O ATOM 676 CB LEU A 43 2.229 4.014 -5.806 1.00 0.00 C ATOM 677 CG LEU A 43 1.219 3.013 -6.376 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.288 3.728 -7.359 1.00 0.00 C ATOM 679 CD2 LEU A 43 1.968 1.896 -7.106 1.00 0.00 C ATOM 0 H LEU A 43 0.700 3.947 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 43 3.360 2.877 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.789 5.010 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.106 4.030 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 43 0.630 2.588 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.430 3.015 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.245 4.525 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.875 4.153 -8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.251 1.182 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.556 2.323 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.631 1.386 -6.408 1.00 0.00 H new ATOM 691 N THR A 44 4.497 4.740 -3.113 1.00 0.00 N ATOM 692 CA THR A 44 5.256 5.854 -2.559 1.00 0.00 C ATOM 693 C THR A 44 5.833 6.701 -3.691 1.00 0.00 C ATOM 694 O THR A 44 5.833 6.289 -4.852 1.00 0.00 O ATOM 695 CB THR A 44 6.392 5.329 -1.677 1.00 0.00 C ATOM 696 OG1 THR A 44 7.220 4.445 -2.427 1.00 0.00 O ATOM 697 CG2 THR A 44 5.804 4.568 -0.488 1.00 0.00 C ATOM 0 H THR A 44 4.870 3.815 -2.898 1.00 0.00 H new ATOM 0 HA THR A 44 4.590 6.468 -1.953 1.00 0.00 H new ATOM 0 HB THR A 44 6.985 6.172 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.903 4.407 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.612 4.194 0.140 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.171 5.237 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.209 3.730 -0.851 1.00 0.00 H new ATOM 705 N LYS A 45 6.325 7.887 -3.348 1.00 0.00 N ATOM 706 CA LYS A 45 6.899 8.779 -4.355 1.00 0.00 C ATOM 707 C LYS A 45 8.088 8.112 -5.042 1.00 0.00 C ATOM 708 O LYS A 45 8.125 7.988 -6.267 1.00 0.00 O ATOM 709 CB LYS A 45 7.361 10.088 -3.713 1.00 0.00 C ATOM 710 CG LYS A 45 6.171 11.042 -3.591 1.00 0.00 C ATOM 711 CD LYS A 45 6.340 11.927 -2.348 1.00 0.00 C ATOM 712 CE LYS A 45 6.747 13.342 -2.771 1.00 0.00 C ATOM 713 NZ LYS A 45 7.674 13.917 -1.757 1.00 0.00 N ATOM 0 H LYS A 45 6.339 8.251 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 45 6.127 8.993 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.787 9.893 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.147 10.544 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.098 11.663 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.243 10.474 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.408 11.960 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.097 11.503 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.230 13.316 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.863 13.972 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.646 14.955 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.382 13.612 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.642 13.586 -1.945 1.00 0.00 H new ATOM 727 N ARG A 46 9.058 7.690 -4.239 1.00 0.00 N ATOM 728 CA ARG A 46 10.251 7.039 -4.778 1.00 0.00 C ATOM 729 C ARG A 46 10.548 5.711 -4.068 1.00 0.00 C ATOM 730 O ARG A 46 11.526 5.038 -4.392 1.00 0.00 O ATOM 731 CB ARG A 46 11.460 7.954 -4.608 1.00 0.00 C ATOM 732 CG ARG A 46 12.536 7.570 -5.623 1.00 0.00 C ATOM 733 CD ARG A 46 13.907 8.004 -5.103 1.00 0.00 C ATOM 734 NE ARG A 46 13.991 9.465 -5.021 1.00 0.00 N ATOM 735 CZ ARG A 46 15.089 10.092 -4.575 1.00 0.00 C ATOM 736 NH1 ARG A 46 16.147 9.420 -4.188 1.00 0.00 N ATOM 737 NH2 ARG A 46 15.105 11.396 -4.524 1.00 0.00 N ATOM 0 H ARG A 46 9.045 7.784 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 46 10.061 6.838 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.165 8.994 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.854 7.870 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.524 6.493 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.332 8.046 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.083 7.569 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.688 7.626 -5.763 1.00 0.00 H new ATOM 0 HE ARG A 46 13.188 10.023 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.145 8.401 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.972 9.917 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.287 11.928 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.935 11.883 -4.186 1.00 0.00 H new ATOM 751 N GLY A 47 9.715 5.339 -3.095 1.00 0.00 N ATOM 752 CA GLY A 47 9.932 4.101 -2.362 1.00 0.00 C ATOM 753 C GLY A 47 9.506 2.885 -3.175 1.00 0.00 C ATOM 754 O GLY A 47 10.110 2.557 -4.197 1.00 0.00 O ATOM 0 H GLY A 47 8.896 5.872 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.986 4.013 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.372 4.128 -1.427 1.00 0.00 H new ATOM 758 N ARG A 48 8.465 2.212 -2.697 1.00 0.00 N ATOM 759 CA ARG A 48 7.964 1.015 -3.372 1.00 0.00 C ATOM 760 C ARG A 48 6.478 0.804 -3.072 1.00 0.00 C ATOM 761 O ARG A 48 5.819 1.661 -2.482 1.00 0.00 O ATOM 762 CB ARG A 48 8.760 -0.214 -2.908 1.00 0.00 C ATOM 763 CG ARG A 48 9.816 -0.572 -3.957 1.00 0.00 C ATOM 764 CD ARG A 48 10.568 -1.830 -3.517 1.00 0.00 C ATOM 765 NE ARG A 48 11.729 -1.476 -2.695 1.00 0.00 N ATOM 766 CZ ARG A 48 12.487 -2.405 -2.096 1.00 0.00 C ATOM 767 NH1 ARG A 48 12.221 -3.685 -2.219 1.00 0.00 N ATOM 768 NH2 ARG A 48 13.509 -2.031 -1.376 1.00 0.00 N ATOM 0 H ARG A 48 7.954 2.470 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 48 8.087 1.149 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.239 -0.008 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.087 -1.057 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.341 -0.739 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.514 0.256 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.900 -2.480 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.893 -2.391 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 48 11.968 -0.492 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.424 -3.989 -2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.811 -4.375 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.725 -1.039 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.092 -2.730 -0.916 1.00 0.00 H new ATOM 782 N GLN A 49 5.968 -0.360 -3.476 1.00 0.00 N ATOM 783 CA GLN A 49 4.569 -0.701 -3.237 1.00 0.00 C ATOM 784 C GLN A 49 4.396 -1.207 -1.806 1.00 0.00 C ATOM 785 O GLN A 49 5.319 -1.777 -1.223 1.00 0.00 O ATOM 786 CB GLN A 49 4.118 -1.790 -4.212 1.00 0.00 C ATOM 787 CG GLN A 49 3.754 -1.154 -5.554 1.00 0.00 C ATOM 788 CD GLN A 49 5.029 -0.812 -6.318 1.00 0.00 C ATOM 789 OE1 GLN A 49 6.053 -1.475 -6.158 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.027 0.196 -7.147 1.00 0.00 N ATOM 0 H GLN A 49 6.501 -1.078 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 49 3.962 0.192 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.913 -2.523 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.259 -2.324 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.140 -1.839 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.161 -0.253 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.178 0.746 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.874 0.434 -7.662 1.00 0.00 H new ATOM 799 N VAL A 50 3.215 -0.980 -1.238 1.00 0.00 N ATOM 800 CA VAL A 50 2.951 -1.408 0.139 1.00 0.00 C ATOM 801 C VAL A 50 1.589 -2.086 0.259 1.00 0.00 C ATOM 802 O VAL A 50 0.551 -1.453 0.083 1.00 0.00 O ATOM 803 CB VAL A 50 2.968 -0.193 1.067 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.685 -0.612 2.516 1.00 0.00 C ATOM 805 CG2 VAL A 50 4.337 0.479 1.005 1.00 0.00 C ATOM 0 H VAL A 50 2.435 -0.510 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 50 3.728 -2.119 0.420 1.00 0.00 H new ATOM 0 HB VAL A 50 2.193 0.500 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.702 0.268 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.704 -1.085 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.447 -1.317 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.348 1.345 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.104 -0.228 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.538 0.801 -0.017 1.00 0.00 H new ATOM 815 N CYS A 51 1.607 -3.365 0.608 1.00 0.00 N ATOM 816 CA CYS A 51 0.360 -4.101 0.791 1.00 0.00 C ATOM 817 C CYS A 51 -0.248 -3.715 2.136 1.00 0.00 C ATOM 818 O CYS A 51 0.144 -4.238 3.179 1.00 0.00 O ATOM 819 CB CYS A 51 0.614 -5.611 0.768 1.00 0.00 C ATOM 820 SG CYS A 51 1.518 -6.061 -0.738 1.00 0.00 S ATOM 0 H CYS A 51 2.455 -3.909 0.768 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.322 -3.850 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.186 -5.906 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.333 -6.149 0.809 1.00 0.00 H new ATOM 825 N ALA A 52 -1.196 -2.779 2.109 1.00 0.00 N ATOM 826 CA ALA A 52 -1.824 -2.323 3.348 1.00 0.00 C ATOM 827 C ALA A 52 -3.316 -2.637 3.356 1.00 0.00 C ATOM 828 O ALA A 52 -3.972 -2.647 2.314 1.00 0.00 O ATOM 829 CB ALA A 52 -1.642 -0.814 3.509 1.00 0.00 C ATOM 0 H ALA A 52 -1.541 -2.329 1.261 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.343 -2.848 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.114 -0.487 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.579 -0.577 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.103 -0.300 2.666 1.00 0.00 H new ATOM 835 N ASP A 53 -3.843 -2.883 4.552 1.00 0.00 N ATOM 836 CA ASP A 53 -5.262 -3.187 4.705 1.00 0.00 C ATOM 837 C ASP A 53 -6.035 -1.912 5.030 1.00 0.00 C ATOM 838 O ASP A 53 -5.646 -1.142 5.908 1.00 0.00 O ATOM 839 CB ASP A 53 -5.477 -4.205 5.833 1.00 0.00 C ATOM 840 CG ASP A 53 -5.597 -5.607 5.246 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.185 -5.736 4.185 1.00 0.00 O ATOM 842 OD2 ASP A 53 -5.099 -6.531 5.867 1.00 0.00 O ATOM 0 H ASP A 53 -3.313 -2.878 5.424 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.624 -3.610 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.644 -4.165 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.379 -3.957 6.393 1.00 0.00 H new ATOM 847 N LYS A 54 -7.135 -1.699 4.313 1.00 0.00 N ATOM 848 CA LYS A 54 -7.958 -0.510 4.537 1.00 0.00 C ATOM 849 C LYS A 54 -8.482 -0.482 5.972 1.00 0.00 C ATOM 850 O LYS A 54 -8.702 0.584 6.546 1.00 0.00 O ATOM 851 CB LYS A 54 -9.145 -0.489 3.572 1.00 0.00 C ATOM 852 CG LYS A 54 -9.913 -1.809 3.671 1.00 0.00 C ATOM 853 CD LYS A 54 -11.256 -1.674 2.953 1.00 0.00 C ATOM 854 CE LYS A 54 -12.301 -2.541 3.657 1.00 0.00 C ATOM 855 NZ LYS A 54 -13.638 -1.889 3.557 1.00 0.00 N ATOM 0 H LYS A 54 -7.475 -2.323 3.582 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.333 0.366 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.805 0.345 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.794 -0.337 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.330 -2.615 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.073 -2.071 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.575 -0.632 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.156 -1.980 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.333 -3.531 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.029 -2.679 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.348 -2.479 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.603 -0.953 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.897 -1.780 2.556 1.00 0.00 H new ATOM 869 N SER A 55 -8.673 -1.669 6.546 1.00 0.00 N ATOM 870 CA SER A 55 -9.166 -1.773 7.918 1.00 0.00 C ATOM 871 C SER A 55 -8.214 -1.075 8.894 1.00 0.00 C ATOM 872 O SER A 55 -8.621 -0.653 9.976 1.00 0.00 O ATOM 873 CB SER A 55 -9.312 -3.242 8.320 1.00 0.00 C ATOM 874 OG SER A 55 -10.660 -3.648 8.123 1.00 0.00 O ATOM 0 H SER A 55 -8.496 -2.563 6.088 1.00 0.00 H new ATOM 0 HA SER A 55 -10.139 -1.285 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.642 -3.863 7.725 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.028 -3.376 9.364 1.00 0.00 H new ATOM 0 HG SER A 55 -10.759 -4.589 8.377 1.00 0.00 H new ATOM 880 N LYS A 56 -6.943 -0.960 8.502 1.00 0.00 N ATOM 881 CA LYS A 56 -5.945 -0.312 9.353 1.00 0.00 C ATOM 882 C LYS A 56 -6.374 1.111 9.704 1.00 0.00 C ATOM 883 O LYS A 56 -7.467 1.550 9.349 1.00 0.00 O ATOM 884 CB LYS A 56 -4.590 -0.261 8.643 1.00 0.00 C ATOM 885 CG LYS A 56 -4.118 -1.685 8.338 1.00 0.00 C ATOM 886 CD LYS A 56 -3.788 -2.406 9.647 1.00 0.00 C ATOM 887 CE LYS A 56 -4.998 -3.228 10.098 1.00 0.00 C ATOM 888 NZ LYS A 56 -4.855 -4.630 9.612 1.00 0.00 N ATOM 0 H LYS A 56 -6.584 -1.303 7.611 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.858 -0.898 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.673 0.311 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.858 0.249 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.893 -2.228 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.239 -1.658 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.925 -3.057 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.521 -1.681 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.075 -3.215 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.916 -2.788 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.786 -5.093 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.469 -4.625 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.210 -5.151 10.240 1.00 0.00 H new ATOM 902 N ASP A 57 -5.502 1.825 10.412 1.00 0.00 N ATOM 903 CA ASP A 57 -5.806 3.195 10.813 1.00 0.00 C ATOM 904 C ASP A 57 -4.962 4.189 10.024 1.00 0.00 C ATOM 905 O ASP A 57 -5.467 5.198 9.531 1.00 0.00 O ATOM 906 CB ASP A 57 -5.536 3.389 12.307 1.00 0.00 C ATOM 907 CG ASP A 57 -6.782 3.013 13.101 1.00 0.00 C ATOM 908 OD1 ASP A 57 -7.218 1.879 12.980 1.00 0.00 O ATOM 909 OD2 ASP A 57 -7.281 3.863 13.819 1.00 0.00 O ATOM 0 H ASP A 57 -4.591 1.483 10.716 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.861 3.375 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.693 2.772 12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.263 4.425 12.507 1.00 0.00 H new ATOM 914 N TRP A 58 -3.668 3.902 9.911 1.00 0.00 N ATOM 915 CA TRP A 58 -2.771 4.792 9.180 1.00 0.00 C ATOM 916 C TRP A 58 -3.064 4.744 7.684 1.00 0.00 C ATOM 917 O TRP A 58 -2.861 5.725 6.969 1.00 0.00 O ATOM 918 CB TRP A 58 -1.304 4.429 9.430 1.00 0.00 C ATOM 919 CG TRP A 58 -1.024 3.015 9.017 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.163 1.931 9.813 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.535 2.521 7.736 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.787 0.803 9.103 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.394 1.116 7.816 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.205 3.153 6.525 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.063 0.363 6.728 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.255 2.400 5.432 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.388 1.010 5.534 1.00 0.00 C ATOM 0 H TRP A 58 -3.223 3.075 10.309 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.945 5.804 9.545 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.657 5.109 8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.069 4.557 10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.510 1.943 10.836 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.799 -0.143 9.484 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.306 4.224 6.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.163 -0.709 6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.508 2.897 4.507 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.742 0.438 4.689 1.00 0.00 H new ATOM 938 N VAL A 59 -3.555 3.600 7.218 1.00 0.00 N ATOM 939 CA VAL A 59 -3.881 3.449 5.804 1.00 0.00 C ATOM 940 C VAL A 59 -5.123 4.269 5.468 1.00 0.00 C ATOM 941 O VAL A 59 -5.252 4.803 4.367 1.00 0.00 O ATOM 942 CB VAL A 59 -4.133 1.979 5.464 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.319 1.823 3.952 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.931 1.147 5.914 1.00 0.00 C ATOM 0 H VAL A 59 -3.734 2.774 7.789 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.036 3.807 5.215 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.033 1.637 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.498 0.775 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.171 2.420 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.420 2.163 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.104 0.098 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.035 1.494 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.796 1.256 6.990 1.00 0.00 H new ATOM 954 N LYS A 60 -6.031 4.368 6.434 1.00 0.00 N ATOM 955 CA LYS A 60 -7.259 5.130 6.236 1.00 0.00 C ATOM 956 C LYS A 60 -6.939 6.612 6.070 1.00 0.00 C ATOM 957 O LYS A 60 -7.485 7.287 5.196 1.00 0.00 O ATOM 958 CB LYS A 60 -8.197 4.952 7.431 1.00 0.00 C ATOM 959 CG LYS A 60 -9.604 5.421 7.053 1.00 0.00 C ATOM 960 CD LYS A 60 -10.302 5.992 8.287 1.00 0.00 C ATOM 961 CE LYS A 60 -11.653 6.585 7.882 1.00 0.00 C ATOM 962 NZ LYS A 60 -11.463 7.994 7.438 1.00 0.00 N ATOM 0 H LYS A 60 -5.941 3.935 7.353 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.748 4.759 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.221 3.905 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.829 5.523 8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.548 6.178 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.180 4.588 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.445 5.209 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.680 6.759 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.095 5.996 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.346 6.548 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.381 8.398 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.059 8.552 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.816 8.017 6.624 1.00 0.00 H new ATOM 976 N LYS A 61 -6.044 7.111 6.920 1.00 0.00 N ATOM 977 CA LYS A 61 -5.654 8.519 6.861 1.00 0.00 C ATOM 978 C LYS A 61 -5.029 8.843 5.509 1.00 0.00 C ATOM 979 O LYS A 61 -5.350 9.856 4.888 1.00 0.00 O ATOM 980 CB LYS A 61 -4.648 8.845 7.967 1.00 0.00 C ATOM 981 CG LYS A 61 -5.399 9.273 9.230 1.00 0.00 C ATOM 982 CD LYS A 61 -4.411 9.871 10.233 1.00 0.00 C ATOM 983 CE LYS A 61 -5.173 10.380 11.459 1.00 0.00 C ATOM 984 NZ LYS A 61 -4.202 10.854 12.486 1.00 0.00 N ATOM 0 H LYS A 61 -5.580 6.570 7.649 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.552 9.121 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.028 7.974 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.979 9.641 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.167 10.005 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.908 8.416 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.680 9.119 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.857 10.688 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.842 11.192 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.794 9.585 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.719 11.200 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.581 10.068 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.627 11.625 12.091 1.00 0.00 H new ATOM 998 N LEU A 62 -4.141 7.962 5.050 1.00 0.00 N ATOM 999 CA LEU A 62 -3.487 8.161 3.758 1.00 0.00 C ATOM 1000 C LEU A 62 -4.529 8.184 2.650 1.00 0.00 C ATOM 1001 O LEU A 62 -4.503 9.034 1.762 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.504 7.033 3.469 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.371 6.875 4.478 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.762 5.483 4.323 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.299 7.934 4.215 1.00 0.00 C ATOM 0 H LEU A 62 -3.861 7.115 5.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.951 9.109 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.058 6.095 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.069 7.197 2.483 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.757 7.000 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.050 5.359 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.527 4.729 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.373 5.366 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.510 7.820 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.095 7.810 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.737 8.927 4.315 1.00 0.00 H new ATOM 1017 N MET A 63 -5.453 7.229 2.723 1.00 0.00 N ATOM 1018 CA MET A 63 -6.528 7.119 1.732 1.00 0.00 C ATOM 1019 C MET A 63 -7.231 8.463 1.538 1.00 0.00 C ATOM 1020 O MET A 63 -7.657 8.806 0.435 1.00 0.00 O ATOM 1021 CB MET A 63 -7.560 6.083 2.178 1.00 0.00 C ATOM 1022 CG MET A 63 -7.083 4.685 1.781 1.00 0.00 C ATOM 1023 SD MET A 63 -8.515 3.618 1.485 1.00 0.00 S ATOM 1024 CE MET A 63 -7.839 2.724 0.065 1.00 0.00 C ATOM 0 H MET A 63 -5.482 6.520 3.456 1.00 0.00 H new ATOM 0 HA MET A 63 -6.078 6.809 0.789 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.703 6.137 3.257 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.525 6.294 1.718 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.467 4.741 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.460 4.264 2.570 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.607 2.626 -0.702 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.989 3.274 -0.340 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.513 1.733 0.381 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.335 9.221 2.626 1.00 0.00 N ATOM 1035 CA GLN A 64 -7.976 10.532 2.569 1.00 0.00 C ATOM 1036 C GLN A 64 -6.963 11.602 2.165 1.00 0.00 C ATOM 1037 O GLN A 64 -7.311 12.600 1.534 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.571 10.897 3.930 1.00 0.00 C ATOM 1039 CG GLN A 64 -9.872 10.121 4.144 1.00 0.00 C ATOM 1040 CD GLN A 64 -10.741 10.852 5.161 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.574 10.615 6.433 1.00 0.00 O flip ATOM 1042 NE2 GLN A 64 -11.592 11.661 4.793 1.00 0.00 N flip ATOM 0 H GLN A 64 -6.988 8.955 3.548 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.773 10.486 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.861 10.663 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.762 11.969 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.407 10.020 3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.653 9.113 4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.723 11.847 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.166 12.146 5.482 1.00 0.00 H new ATOM 1051 N GLN A 65 -5.705 11.382 2.542 1.00 0.00 N ATOM 1052 CA GLN A 65 -4.643 12.332 2.221 1.00 0.00 C ATOM 1053 C GLN A 65 -4.273 12.257 0.742 1.00 0.00 C ATOM 1054 O GLN A 65 -3.894 13.256 0.132 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.398 12.035 3.061 1.00 0.00 C ATOM 1056 CG GLN A 65 -3.504 12.754 4.409 1.00 0.00 C ATOM 1057 CD GLN A 65 -2.130 13.271 4.824 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -1.486 14.085 4.033 1.00 0.00 O flip ATOM 1059 NE2 GLN A 65 -1.629 12.929 5.895 1.00 0.00 N flip ATOM 0 H GLN A 65 -5.398 10.562 3.065 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.011 13.333 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.300 10.961 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.503 12.363 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.208 13.583 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.891 12.072 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.132 12.293 6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.711 13.282 6.164 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.388 11.061 0.172 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.064 10.866 -1.238 1.00 0.00 C ATOM 1070 C LEU A 66 -5.308 10.412 -2.002 1.00 0.00 C ATOM 1071 O LEU A 66 -6.194 9.781 -1.425 1.00 0.00 O ATOM 1072 CB LEU A 66 -2.969 9.808 -1.394 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.854 9.869 -0.348 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -0.982 8.616 -0.455 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -0.994 11.110 -0.594 1.00 0.00 C ATOM 0 H LEU A 66 -4.700 10.220 0.658 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.709 11.814 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.430 8.821 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.524 9.911 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.293 9.921 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.188 8.660 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.594 7.731 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.542 8.563 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.199 11.155 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.555 11.057 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.614 12.003 -0.517 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.400 10.719 -3.305 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.566 10.313 -4.104 1.00 0.00 C ATOM 1089 C PRO A 67 -6.509 8.829 -4.484 1.00 0.00 C ATOM 1090 O PRO A 67 -7.071 7.987 -3.782 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.469 11.232 -5.320 1.00 0.00 C ATOM 1092 CG PRO A 67 -5.010 11.658 -5.439 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.369 11.471 -4.059 1.00 0.00 C ATOM 0 HA PRO A 67 -7.513 10.409 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.795 10.714 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.116 12.101 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.494 11.057 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.938 12.697 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.432 10.917 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.143 12.427 -3.587 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.815 8.504 -5.582 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.692 7.110 -6.012 1.00 0.00 C ATOM 1103 C VAL A 68 -4.884 7.041 -7.319 1.00 0.00 C ATOM 1104 O VAL A 68 -5.035 7.889 -8.198 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.107 6.455 -6.154 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.551 6.287 -7.619 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.096 5.085 -5.474 1.00 0.00 C ATOM 0 H VAL A 68 -5.337 9.178 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.152 6.539 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.821 7.127 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.539 5.828 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.590 7.264 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.839 5.651 -8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.079 4.624 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.349 4.449 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.852 5.205 -4.418 1.00 0.00 H new ATOM 1117 N THR A 69 -4.037 6.009 -7.432 1.00 0.00 N ATOM 1118 CA THR A 69 -3.207 5.795 -8.614 1.00 0.00 C ATOM 1119 C THR A 69 -2.612 7.101 -9.152 1.00 0.00 C ATOM 1120 O THR A 69 -3.248 7.821 -9.923 1.00 0.00 O ATOM 1121 CB THR A 69 -4.024 5.125 -9.709 1.00 0.00 C ATOM 1122 OG1 THR A 69 -5.011 6.027 -10.190 1.00 0.00 O ATOM 1123 CG2 THR A 69 -4.698 3.859 -9.170 1.00 0.00 C ATOM 0 H THR A 69 -3.912 5.304 -6.706 1.00 0.00 H new ATOM 0 HA THR A 69 -2.380 5.151 -8.313 1.00 0.00 H new ATOM 0 HB THR A 69 -3.358 4.848 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.764 6.943 -9.946 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.279 3.390 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.936 3.163 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.359 4.122 -8.344 1.00 0.00 H new ATOM 1131 N ALA A 70 -1.382 7.393 -8.736 1.00 0.00 N ATOM 1132 CA ALA A 70 -0.704 8.610 -9.180 1.00 0.00 C ATOM 1133 C ALA A 70 -0.550 8.616 -10.699 1.00 0.00 C ATOM 1134 O ALA A 70 -0.574 9.670 -11.335 1.00 0.00 O ATOM 1135 CB ALA A 70 0.680 8.715 -8.540 1.00 0.00 C ATOM 0 H ALA A 70 -0.838 6.811 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.312 9.461 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.171 9.627 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.578 8.742 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.280 7.851 -8.826 1.00 0.00 H new ATOM 1141 N ARG A 71 -0.394 7.426 -11.271 1.00 0.00 N ATOM 1142 CA ARG A 71 -0.237 7.303 -12.718 1.00 0.00 C ATOM 1143 C ARG A 71 -0.414 5.850 -13.150 1.00 0.00 C ATOM 1144 O ARG A 71 -1.355 5.580 -13.878 1.00 0.00 O ATOM 1145 CB ARG A 71 1.148 7.788 -13.151 1.00 0.00 C ATOM 1146 CG ARG A 71 1.057 8.425 -14.540 1.00 0.00 C ATOM 1147 CD ARG A 71 1.221 7.344 -15.611 1.00 0.00 C ATOM 1148 NE ARG A 71 0.431 7.672 -16.800 1.00 0.00 N ATOM 1149 CZ ARG A 71 0.170 6.767 -17.754 1.00 0.00 C ATOM 1150 NH1 ARG A 71 0.614 5.536 -17.664 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -0.540 7.117 -18.792 1.00 0.00 N ATOM 1152 OXT ARG A 71 0.396 5.031 -12.747 1.00 0.00 O ATOM 0 H ARG A 71 -0.373 6.542 -10.763 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.000 7.920 -13.193 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.532 8.512 -12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.848 6.953 -13.168 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.097 8.927 -14.659 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.830 9.185 -14.654 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.273 7.249 -15.881 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.906 6.379 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 71 0.068 8.619 -16.906 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.169 5.252 -16.857 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.404 4.863 -18.401 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.891 8.072 -18.872 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.744 6.436 -19.523 1.00 0.00 H new TER 1166 ARG A 71