USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 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 31 THR OG1 : rot 60:sc= -0.302 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.32) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 99:sc= 0.18 USER MOD Single : A 16 GLN : amide:sc= -3.66! C(o=-3.7!,f=-7.8!) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0762) USER MOD Single : A 22 GLN : amide:sc= -2.05 X(o=-2.1,f=-2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00546 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -77:sc= 1.17 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -22:sc= -3.25 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.62) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -165:sc= -7.95! (180deg=-9.87!) USER MOD Single : A 64 GLN : amide:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 69 THR OG1 : rot 120:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -19.648 -14.882 4.332 1.00 0.00 N ATOM 2 CA LEU A 1 -18.447 -14.558 5.151 1.00 0.00 C ATOM 3 C LEU A 1 -17.204 -14.599 4.270 1.00 0.00 C ATOM 4 O LEU A 1 -16.440 -13.635 4.203 1.00 0.00 O ATOM 5 CB LEU A 1 -18.308 -15.583 6.279 1.00 0.00 C ATOM 6 CG LEU A 1 -17.192 -15.149 7.230 1.00 0.00 C ATOM 7 CD1 LEU A 1 -17.753 -14.167 8.260 1.00 0.00 C ATOM 8 CD2 LEU A 1 -16.630 -16.376 7.951 1.00 0.00 C ATOM 0 H1 LEU A 1 -20.496 -14.854 4.933 1.00 0.00 H new ATOM 0 H2 LEU A 1 -19.744 -14.186 3.566 1.00 0.00 H new ATOM 0 H3 LEU A 1 -19.544 -15.833 3.924 1.00 0.00 H new ATOM 0 HA LEU A 1 -18.556 -13.561 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -19.249 -15.671 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -18.085 -16.567 5.865 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.398 -14.666 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.958 -13.857 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -18.154 -13.292 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -18.547 -14.651 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.834 -16.067 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -17.424 -16.859 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.230 -17.077 7.218 1.00 0.00 H new ATOM 22 N GLY A 2 -17.009 -15.728 3.595 1.00 0.00 N ATOM 23 CA GLY A 2 -15.853 -15.889 2.716 1.00 0.00 C ATOM 24 C GLY A 2 -16.231 -16.672 1.464 1.00 0.00 C ATOM 25 O GLY A 2 -17.406 -16.790 1.118 1.00 0.00 O ATOM 0 H GLY A 2 -17.628 -16.537 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.465 -14.910 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.055 -16.408 3.248 1.00 0.00 H new ATOM 29 N ALA A 3 -15.218 -17.208 0.789 1.00 0.00 N ATOM 30 CA ALA A 3 -15.451 -17.981 -0.428 1.00 0.00 C ATOM 31 C ALA A 3 -14.137 -18.541 -0.963 1.00 0.00 C ATOM 32 O ALA A 3 -13.054 -18.134 -0.541 1.00 0.00 O ATOM 33 CB ALA A 3 -16.094 -17.105 -1.505 1.00 0.00 C ATOM 0 H ALA A 3 -14.238 -17.123 1.060 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.123 -18.803 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.260 -17.698 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.048 -16.722 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.433 -16.270 -1.738 1.00 0.00 H new ATOM 39 N SER A 4 -14.245 -19.480 -1.899 1.00 0.00 N ATOM 40 CA SER A 4 -13.059 -20.094 -2.489 1.00 0.00 C ATOM 41 C SER A 4 -12.258 -19.059 -3.271 1.00 0.00 C ATOM 42 O SER A 4 -12.712 -17.937 -3.491 1.00 0.00 O ATOM 43 CB SER A 4 -13.457 -21.231 -3.431 1.00 0.00 C ATOM 44 OG SER A 4 -14.154 -22.227 -2.695 1.00 0.00 O ATOM 0 H SER A 4 -15.132 -19.830 -2.262 1.00 0.00 H new ATOM 0 HA SER A 4 -12.448 -20.492 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.086 -20.849 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.570 -21.660 -3.897 1.00 0.00 H new ATOM 0 HG SER A 4 -14.412 -22.957 -3.296 1.00 0.00 H new ATOM 50 N TRP A 5 -11.057 -19.450 -3.688 1.00 0.00 N ATOM 51 CA TRP A 5 -10.193 -18.549 -4.448 1.00 0.00 C ATOM 52 C TRP A 5 -9.358 -19.334 -5.453 1.00 0.00 C ATOM 53 O TRP A 5 -8.577 -20.213 -5.085 1.00 0.00 O ATOM 54 CB TRP A 5 -9.257 -17.782 -3.509 1.00 0.00 C ATOM 55 CG TRP A 5 -8.510 -18.747 -2.644 1.00 0.00 C ATOM 56 CD1 TRP A 5 -8.960 -19.248 -1.471 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.193 -19.332 -2.860 1.00 0.00 C ATOM 58 NE1 TRP A 5 -8.005 -20.105 -0.954 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.898 -20.190 -1.774 1.00 0.00 C ATOM 60 CE3 TRP A 5 -6.237 -19.204 -3.883 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -5.695 -20.895 -1.705 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -5.026 -19.912 -3.818 1.00 0.00 C ATOM 63 CH2 TRP A 5 -4.755 -20.756 -2.730 1.00 0.00 C ATOM 0 H TRP A 5 -10.662 -20.374 -3.515 1.00 0.00 H new ATOM 0 HA TRP A 5 -10.830 -17.842 -4.979 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.557 -17.181 -4.089 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.832 -17.093 -2.890 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.910 -19.017 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -8.106 -20.612 -0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -6.435 -18.557 -4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.492 -21.543 -0.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.299 -19.806 -4.610 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.822 -21.297 -2.685 1.00 0.00 H new ATOM 74 N HIS A 6 -9.530 -19.007 -6.732 1.00 0.00 N ATOM 75 CA HIS A 6 -8.787 -19.687 -7.789 1.00 0.00 C ATOM 76 C HIS A 6 -8.007 -18.676 -8.625 1.00 0.00 C ATOM 77 O HIS A 6 -8.261 -17.474 -8.567 1.00 0.00 O ATOM 78 CB HIS A 6 -9.740 -20.459 -8.702 1.00 0.00 C ATOM 79 CG HIS A 6 -8.995 -21.583 -9.369 1.00 0.00 C ATOM 80 ND1 HIS A 6 -9.088 -21.825 -10.731 1.00 0.00 N ATOM 81 CD2 HIS A 6 -8.141 -22.537 -8.877 1.00 0.00 C ATOM 82 CE1 HIS A 6 -8.310 -22.887 -11.008 1.00 0.00 C ATOM 83 NE2 HIS A 6 -7.709 -23.361 -9.912 1.00 0.00 N ATOM 0 H HIS A 6 -10.170 -18.283 -7.059 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.093 -20.383 -7.319 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.575 -20.855 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.161 -19.791 -9.453 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.848 -22.634 -7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.186 -23.306 -11.996 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.072 -24.155 -9.848 1.00 0.00 H new ATOM 91 N ARG A 7 -7.054 -19.182 -9.404 1.00 0.00 N ATOM 92 CA ARG A 7 -6.236 -18.318 -10.255 1.00 0.00 C ATOM 93 C ARG A 7 -5.464 -17.304 -9.404 1.00 0.00 C ATOM 94 O ARG A 7 -5.930 -16.183 -9.197 1.00 0.00 O ATOM 95 CB ARG A 7 -7.114 -17.563 -11.257 1.00 0.00 C ATOM 96 CG ARG A 7 -6.287 -17.210 -12.495 1.00 0.00 C ATOM 97 CD ARG A 7 -6.313 -18.382 -13.478 1.00 0.00 C ATOM 98 NE ARG A 7 -7.661 -18.575 -14.016 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.951 -19.562 -14.876 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.031 -20.406 -15.277 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.171 -19.685 -15.323 1.00 0.00 N ATOM 0 H ARG A 7 -6.830 -20.175 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.532 -18.950 -10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.970 -18.176 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.509 -16.656 -10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.688 -16.314 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.260 -16.986 -12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.614 -18.195 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.982 -19.291 -12.976 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.403 -17.938 -13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.074 -20.318 -14.934 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.272 -21.150 -15.932 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.894 -19.033 -15.018 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.401 -20.433 -15.978 1.00 0.00 H new ATOM 115 N PRO A 8 -4.275 -17.677 -8.900 1.00 0.00 N ATOM 116 CA PRO A 8 -3.461 -16.770 -8.072 1.00 0.00 C ATOM 117 C PRO A 8 -2.636 -15.794 -8.908 1.00 0.00 C ATOM 118 O PRO A 8 -1.480 -16.059 -9.238 1.00 0.00 O ATOM 119 CB PRO A 8 -2.555 -17.738 -7.323 1.00 0.00 C ATOM 120 CG PRO A 8 -2.472 -19.012 -8.158 1.00 0.00 C ATOM 121 CD PRO A 8 -3.666 -19.011 -9.117 1.00 0.00 C ATOM 0 HA PRO A 8 -4.068 -16.133 -7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.565 -17.306 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.956 -17.952 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.534 -19.047 -8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.496 -19.893 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.351 -19.146 -10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.366 -19.815 -8.889 1.00 0.00 H new ATOM 129 N ASP A 9 -3.246 -14.661 -9.247 1.00 0.00 N ATOM 130 CA ASP A 9 -2.561 -13.648 -10.045 1.00 0.00 C ATOM 131 C ASP A 9 -1.604 -12.841 -9.175 1.00 0.00 C ATOM 132 O ASP A 9 -0.385 -12.964 -9.286 1.00 0.00 O ATOM 133 CB ASP A 9 -3.574 -12.698 -10.688 1.00 0.00 C ATOM 134 CG ASP A 9 -4.028 -13.269 -12.027 1.00 0.00 C ATOM 135 OD1 ASP A 9 -4.262 -14.465 -12.089 1.00 0.00 O ATOM 136 OD2 ASP A 9 -4.136 -12.502 -12.970 1.00 0.00 O ATOM 0 H ASP A 9 -4.203 -14.423 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.997 -14.159 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.431 -12.563 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.126 -11.715 -10.833 1.00 0.00 H new ATOM 141 N LYS A 10 -2.174 -12.014 -8.307 1.00 0.00 N ATOM 142 CA LYS A 10 -1.368 -11.183 -7.414 1.00 0.00 C ATOM 143 C LYS A 10 -2.265 -10.376 -6.482 1.00 0.00 C ATOM 144 O LYS A 10 -2.648 -9.246 -6.786 1.00 0.00 O ATOM 145 CB LYS A 10 -0.484 -10.222 -8.215 1.00 0.00 C ATOM 146 CG LYS A 10 -1.327 -9.493 -9.270 1.00 0.00 C ATOM 147 CD LYS A 10 -0.878 -8.033 -9.367 1.00 0.00 C ATOM 148 CE LYS A 10 -1.751 -7.297 -10.384 1.00 0.00 C ATOM 149 NZ LYS A 10 -1.189 -5.938 -10.632 1.00 0.00 N ATOM 0 H LYS A 10 -3.182 -11.899 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.734 -11.846 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.019 -9.499 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.322 -10.773 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.219 -9.982 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.383 -9.542 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.954 -7.553 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.169 -7.983 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.794 -7.860 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.772 -7.217 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.783 -5.438 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.170 -5.402 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.222 -6.025 -11.005 1.00 0.00 H new ATOM 163 N CYS A 11 -2.595 -10.970 -5.340 1.00 0.00 N ATOM 164 CA CYS A 11 -3.450 -10.299 -4.360 1.00 0.00 C ATOM 165 C CYS A 11 -2.696 -10.089 -3.047 1.00 0.00 C ATOM 166 O CYS A 11 -3.302 -10.004 -1.978 1.00 0.00 O ATOM 167 CB CYS A 11 -4.706 -11.132 -4.079 1.00 0.00 C ATOM 168 SG CYS A 11 -5.521 -11.566 -5.639 1.00 0.00 S ATOM 0 H CYS A 11 -2.289 -11.905 -5.069 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.738 -9.334 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.438 -12.037 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.391 -10.570 -3.445 1.00 0.00 H new ATOM 173 N CYS A 12 -1.369 -10.004 -3.136 1.00 0.00 N ATOM 174 CA CYS A 12 -0.542 -9.803 -1.947 1.00 0.00 C ATOM 175 C CYS A 12 -0.734 -10.949 -0.958 1.00 0.00 C ATOM 176 O CYS A 12 -1.732 -11.668 -1.003 1.00 0.00 O ATOM 177 CB CYS A 12 -0.902 -8.486 -1.259 1.00 0.00 C ATOM 178 SG CYS A 12 0.529 -7.884 -0.329 1.00 0.00 S ATOM 0 H CYS A 12 -0.848 -10.070 -4.010 1.00 0.00 H new ATOM 0 HA CYS A 12 0.499 -9.773 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.205 -7.747 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.750 -8.632 -0.589 1.00 0.00 H new ATOM 183 N LEU A 13 0.237 -11.110 -0.063 1.00 0.00 N ATOM 184 CA LEU A 13 0.170 -12.171 0.938 1.00 0.00 C ATOM 185 C LEU A 13 -0.064 -11.583 2.325 1.00 0.00 C ATOM 186 O LEU A 13 -0.722 -12.191 3.170 1.00 0.00 O ATOM 187 CB LEU A 13 1.470 -12.976 0.951 1.00 0.00 C ATOM 188 CG LEU A 13 1.616 -13.994 -0.183 1.00 0.00 C ATOM 189 CD1 LEU A 13 2.107 -13.284 -1.445 1.00 0.00 C ATOM 190 CD2 LEU A 13 2.628 -15.067 0.224 1.00 0.00 C ATOM 0 H LEU A 13 1.072 -10.526 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.661 -12.827 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.309 -12.282 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.543 -13.503 1.903 1.00 0.00 H new ATOM 0 HG LEU A 13 0.651 -14.460 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.211 -14.008 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.388 -12.518 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.073 -12.819 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.733 -15.793 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.593 -14.601 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.279 -15.573 1.124 1.00 0.00 H new ATOM 202 N GLY A 14 0.482 -10.391 2.550 1.00 0.00 N ATOM 203 CA GLY A 14 0.327 -9.724 3.841 1.00 0.00 C ATOM 204 C GLY A 14 0.226 -8.213 3.662 1.00 0.00 C ATOM 205 O GLY A 14 0.044 -7.716 2.551 1.00 0.00 O ATOM 0 H GLY A 14 1.030 -9.871 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.567 -10.096 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.175 -9.963 4.483 1.00 0.00 H new ATOM 209 N TYR A 15 0.345 -7.489 4.771 1.00 0.00 N ATOM 210 CA TYR A 15 0.264 -6.031 4.730 1.00 0.00 C ATOM 211 C TYR A 15 1.312 -5.416 5.654 1.00 0.00 C ATOM 212 O TYR A 15 1.939 -6.110 6.453 1.00 0.00 O ATOM 213 CB TYR A 15 -1.124 -5.559 5.165 1.00 0.00 C ATOM 214 CG TYR A 15 -2.162 -6.108 4.215 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.589 -7.435 4.337 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.695 -5.289 3.213 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.552 -7.943 3.455 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.656 -5.797 2.333 1.00 0.00 C ATOM 219 CZ TYR A 15 -4.085 -7.124 2.453 1.00 0.00 C ATOM 220 OH TYR A 15 -5.033 -7.626 1.585 1.00 0.00 O ATOM 0 H TYR A 15 0.496 -7.882 5.700 1.00 0.00 H new ATOM 0 HA TYR A 15 0.449 -5.711 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.332 -5.894 6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.163 -4.470 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.177 -8.067 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.364 -4.265 3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.883 -8.967 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.068 -5.165 1.560 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.926 -7.355 1.884 1.00 0.00 H new ATOM 230 N GLN A 16 1.495 -4.103 5.534 1.00 0.00 N ATOM 231 CA GLN A 16 2.472 -3.405 6.366 1.00 0.00 C ATOM 232 C GLN A 16 2.040 -3.417 7.826 1.00 0.00 C ATOM 233 O GLN A 16 0.996 -2.875 8.185 1.00 0.00 O ATOM 234 CB GLN A 16 2.633 -1.949 5.919 1.00 0.00 C ATOM 235 CG GLN A 16 4.052 -1.464 6.235 1.00 0.00 C ATOM 236 CD GLN A 16 5.065 -2.248 5.405 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.333 -1.906 4.254 1.00 0.00 O ATOM 238 NE2 GLN A 16 5.655 -3.286 5.930 1.00 0.00 N ATOM 0 H GLN A 16 0.988 -3.508 4.879 1.00 0.00 H new ATOM 0 HA GLN A 16 3.423 -3.927 6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.439 -1.863 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.902 -1.320 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.138 -0.399 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.262 -1.592 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.433 -3.570 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.338 -3.814 5.386 1.00 0.00 H new ATOM 247 N LYS A 17 2.863 -4.033 8.666 1.00 0.00 N ATOM 248 CA LYS A 17 2.565 -4.097 10.093 1.00 0.00 C ATOM 249 C LYS A 17 2.902 -2.771 10.787 1.00 0.00 C ATOM 250 O LYS A 17 2.520 -2.551 11.936 1.00 0.00 O ATOM 251 CB LYS A 17 3.363 -5.222 10.756 1.00 0.00 C ATOM 252 CG LYS A 17 2.729 -5.572 12.103 1.00 0.00 C ATOM 253 CD LYS A 17 3.282 -6.912 12.594 1.00 0.00 C ATOM 254 CE LYS A 17 2.396 -7.448 13.720 1.00 0.00 C ATOM 255 NZ LYS A 17 2.513 -6.558 14.910 1.00 0.00 N ATOM 0 H LYS A 17 3.732 -4.490 8.389 1.00 0.00 H new ATOM 0 HA LYS A 17 1.498 -4.292 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.379 -6.100 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.398 -4.913 10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.942 -4.790 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.645 -5.628 12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.316 -7.627 11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.305 -6.787 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.359 -7.496 13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.695 -8.463 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.007 -6.983 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.516 -6.439 15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.098 -5.630 14.692 1.00 0.00 H new ATOM 269 N ARG A 18 3.620 -1.888 10.084 1.00 0.00 N ATOM 270 CA ARG A 18 3.990 -0.599 10.658 1.00 0.00 C ATOM 271 C ARG A 18 3.428 0.545 9.806 1.00 0.00 C ATOM 272 O ARG A 18 3.204 0.376 8.608 1.00 0.00 O ATOM 273 CB ARG A 18 5.513 -0.463 10.734 1.00 0.00 C ATOM 274 CG ARG A 18 6.079 -1.556 11.641 1.00 0.00 C ATOM 275 CD ARG A 18 6.470 -2.770 10.796 1.00 0.00 C ATOM 276 NE ARG A 18 7.128 -3.784 11.621 1.00 0.00 N ATOM 277 CZ ARG A 18 7.565 -4.945 11.111 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.420 -5.226 9.838 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.146 -5.812 11.895 1.00 0.00 N ATOM 0 H ARG A 18 3.950 -2.043 9.131 1.00 0.00 H new ATOM 0 HA ARG A 18 3.572 -0.545 11.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.946 -0.543 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.782 0.520 11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.948 -1.181 12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.339 -1.843 12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.582 -3.195 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.137 -2.460 9.991 1.00 0.00 H new ATOM 0 HE ARG A 18 7.259 -3.602 12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.968 -4.556 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.759 -6.115 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.264 -5.604 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.482 -6.698 11.516 1.00 0.00 H new ATOM 293 N PRO A 19 3.191 1.723 10.409 1.00 0.00 N ATOM 294 CA PRO A 19 2.649 2.880 9.675 1.00 0.00 C ATOM 295 C PRO A 19 3.725 3.672 8.934 1.00 0.00 C ATOM 296 O PRO A 19 4.822 3.890 9.449 1.00 0.00 O ATOM 297 CB PRO A 19 2.033 3.711 10.793 1.00 0.00 C ATOM 298 CG PRO A 19 2.742 3.324 12.086 1.00 0.00 C ATOM 299 CD PRO A 19 3.441 1.981 11.846 1.00 0.00 C ATOM 0 HA PRO A 19 1.949 2.588 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.153 4.776 10.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.963 3.520 10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.466 4.088 12.369 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.028 3.243 12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.507 2.037 12.066 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.027 1.193 12.475 1.00 0.00 H new ATOM 307 N LEU A 20 3.394 4.100 7.717 1.00 0.00 N ATOM 308 CA LEU A 20 4.336 4.870 6.904 1.00 0.00 C ATOM 309 C LEU A 20 3.888 6.333 6.811 1.00 0.00 C ATOM 310 O LEU A 20 2.695 6.625 6.896 1.00 0.00 O ATOM 311 CB LEU A 20 4.436 4.292 5.484 1.00 0.00 C ATOM 312 CG LEU A 20 4.173 2.787 5.353 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.507 2.333 3.931 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.046 2.020 6.353 1.00 0.00 C ATOM 0 H LEU A 20 2.491 3.930 7.275 1.00 0.00 H new ATOM 0 HA LEU A 20 5.312 4.812 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.728 4.822 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.433 4.502 5.097 1.00 0.00 H new ATOM 0 HG LEU A 20 3.123 2.585 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.320 1.263 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.882 2.874 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.557 2.538 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.856 0.951 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.097 2.222 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.806 2.341 7.367 1.00 0.00 H new ATOM 326 N PRO A 21 4.833 7.274 6.631 1.00 0.00 N ATOM 327 CA PRO A 21 4.495 8.704 6.525 1.00 0.00 C ATOM 328 C PRO A 21 4.063 9.099 5.116 1.00 0.00 C ATOM 329 O PRO A 21 4.673 8.696 4.128 1.00 0.00 O ATOM 330 CB PRO A 21 5.814 9.379 6.890 1.00 0.00 C ATOM 331 CG PRO A 21 6.924 8.375 6.597 1.00 0.00 C ATOM 332 CD PRO A 21 6.283 6.984 6.525 1.00 0.00 C ATOM 0 HA PRO A 21 3.654 8.983 7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.955 10.290 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.822 9.667 7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.421 8.617 5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.685 8.406 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.525 6.477 5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.625 6.340 7.335 1.00 0.00 H new ATOM 340 N GLN A 22 3.009 9.902 5.037 1.00 0.00 N ATOM 341 CA GLN A 22 2.508 10.362 3.743 1.00 0.00 C ATOM 342 C GLN A 22 3.467 11.379 3.105 1.00 0.00 C ATOM 343 O GLN A 22 3.305 11.754 1.945 1.00 0.00 O ATOM 344 CB GLN A 22 1.135 11.017 3.916 1.00 0.00 C ATOM 345 CG GLN A 22 0.436 11.115 2.558 1.00 0.00 C ATOM 346 CD GLN A 22 0.667 12.499 1.961 1.00 0.00 C ATOM 347 OE1 GLN A 22 0.447 13.513 2.624 1.00 0.00 O ATOM 348 NE2 GLN A 22 1.102 12.604 0.735 1.00 0.00 N ATOM 0 H GLN A 22 2.488 10.247 5.843 1.00 0.00 H new ATOM 0 HA GLN A 22 2.429 9.493 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.527 10.433 4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.247 12.010 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.820 10.349 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.632 10.932 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.285 11.765 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.259 13.525 0.327 1.00 0.00 H new ATOM 357 N VAL A 23 4.457 11.835 3.879 1.00 0.00 N ATOM 358 CA VAL A 23 5.419 12.817 3.388 1.00 0.00 C ATOM 359 C VAL A 23 6.134 12.327 2.126 1.00 0.00 C ATOM 360 O VAL A 23 6.470 13.115 1.244 1.00 0.00 O ATOM 361 CB VAL A 23 6.444 13.126 4.491 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.233 11.862 4.846 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.414 14.210 4.019 1.00 0.00 C ATOM 0 H VAL A 23 4.610 11.539 4.843 1.00 0.00 H new ATOM 0 HA VAL A 23 4.875 13.724 3.125 1.00 0.00 H new ATOM 0 HB VAL A 23 5.909 13.478 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.956 12.092 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.547 11.093 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.758 11.500 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.136 14.421 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.940 13.865 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.858 15.118 3.783 1.00 0.00 H new ATOM 373 N LEU A 24 6.363 11.024 2.052 1.00 0.00 N ATOM 374 CA LEU A 24 7.040 10.447 0.894 1.00 0.00 C ATOM 375 C LEU A 24 6.040 9.721 -0.006 1.00 0.00 C ATOM 376 O LEU A 24 6.245 9.586 -1.210 1.00 0.00 O ATOM 377 CB LEU A 24 8.144 9.469 1.353 1.00 0.00 C ATOM 378 CG LEU A 24 7.756 7.978 1.449 1.00 0.00 C ATOM 379 CD1 LEU A 24 9.000 7.147 1.744 1.00 0.00 C ATOM 380 CD2 LEU A 24 6.723 7.777 2.567 1.00 0.00 C ATOM 0 H LEU A 24 6.095 10.351 2.770 1.00 0.00 H new ATOM 0 HA LEU A 24 7.497 11.256 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.984 9.558 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.498 9.792 2.332 1.00 0.00 H new ATOM 0 HG LEU A 24 7.321 7.658 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.727 6.094 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.726 7.282 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.438 7.470 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.454 6.722 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.148 8.099 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.832 8.366 2.350 1.00 0.00 H new ATOM 392 N LEU A 25 4.977 9.221 0.611 1.00 0.00 N ATOM 393 CA LEU A 25 3.968 8.469 -0.127 1.00 0.00 C ATOM 394 C LEU A 25 3.378 9.289 -1.269 1.00 0.00 C ATOM 395 O LEU A 25 3.180 10.498 -1.153 1.00 0.00 O ATOM 396 CB LEU A 25 2.843 8.005 0.800 1.00 0.00 C ATOM 397 CG LEU A 25 2.234 6.637 0.462 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.345 5.592 0.304 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.294 6.209 1.592 1.00 0.00 C ATOM 0 H LEU A 25 4.791 9.320 1.609 1.00 0.00 H new ATOM 0 HA LEU A 25 4.469 7.597 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.226 7.971 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.049 8.752 0.782 1.00 0.00 H new ATOM 0 HG LEU A 25 1.679 6.713 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.903 4.625 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.016 5.894 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.906 5.514 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.859 5.238 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.854 6.139 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.498 6.946 1.702 1.00 0.00 H new ATOM 411 N SER A 26 3.112 8.606 -2.379 1.00 0.00 N ATOM 412 CA SER A 26 2.554 9.267 -3.558 1.00 0.00 C ATOM 413 C SER A 26 1.056 8.987 -3.692 1.00 0.00 C ATOM 414 O SER A 26 0.231 9.891 -3.562 1.00 0.00 O ATOM 415 CB SER A 26 3.265 8.788 -4.825 1.00 0.00 C ATOM 416 OG SER A 26 3.363 9.867 -5.745 1.00 0.00 O ATOM 0 H SER A 26 3.271 7.604 -2.488 1.00 0.00 H new ATOM 0 HA SER A 26 2.704 10.339 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.259 8.414 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.715 7.961 -5.274 1.00 0.00 H new ATOM 0 HG SER A 26 3.820 9.564 -6.557 1.00 0.00 H new ATOM 422 N SER A 27 0.715 7.728 -3.964 1.00 0.00 N ATOM 423 CA SER A 27 -0.689 7.347 -4.125 1.00 0.00 C ATOM 424 C SER A 27 -0.888 5.865 -3.800 1.00 0.00 C ATOM 425 O SER A 27 0.005 5.205 -3.268 1.00 0.00 O ATOM 426 CB SER A 27 -1.147 7.622 -5.564 1.00 0.00 C ATOM 427 OG SER A 27 -2.048 8.722 -5.565 1.00 0.00 O ATOM 0 H SER A 27 1.381 6.963 -4.076 1.00 0.00 H new ATOM 0 HA SER A 27 -1.286 7.942 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.287 7.840 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.632 6.739 -5.979 1.00 0.00 H new ATOM 0 HG SER A 27 -2.342 8.903 -6.482 1.00 0.00 H new ATOM 433 N TRP A 28 -2.075 5.355 -4.125 1.00 0.00 N ATOM 434 CA TRP A 28 -2.396 3.950 -3.868 1.00 0.00 C ATOM 435 C TRP A 28 -3.306 3.402 -4.961 1.00 0.00 C ATOM 436 O TRP A 28 -4.242 4.071 -5.398 1.00 0.00 O ATOM 437 CB TRP A 28 -3.105 3.791 -2.518 1.00 0.00 C ATOM 438 CG TRP A 28 -4.241 4.762 -2.424 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.128 6.049 -2.021 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.654 4.553 -2.728 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.376 6.643 -2.059 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.349 5.761 -2.489 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.393 3.443 -3.184 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.725 5.865 -2.695 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.778 3.547 -3.391 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.442 4.756 -3.148 1.00 0.00 C ATOM 0 H TRP A 28 -2.826 5.888 -4.564 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.458 3.396 -3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.476 2.772 -2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.400 3.962 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.211 6.534 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.556 7.613 -1.801 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.891 2.506 -3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.233 6.799 -2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.335 2.690 -3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.507 4.830 -3.311 1.00 0.00 H new ATOM 457 N TYR A 29 -3.029 2.173 -5.394 1.00 0.00 N ATOM 458 CA TYR A 29 -3.845 1.546 -6.432 1.00 0.00 C ATOM 459 C TYR A 29 -4.546 0.293 -5.870 1.00 0.00 C ATOM 460 O TYR A 29 -3.902 -0.535 -5.227 1.00 0.00 O ATOM 461 CB TYR A 29 -2.985 1.185 -7.662 1.00 0.00 C ATOM 462 CG TYR A 29 -2.073 0.004 -7.383 1.00 0.00 C ATOM 463 CD1 TYR A 29 -0.863 0.186 -6.698 1.00 0.00 C ATOM 464 CD2 TYR A 29 -2.436 -1.273 -7.828 1.00 0.00 C ATOM 465 CE1 TYR A 29 -0.022 -0.908 -6.460 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.594 -2.366 -7.591 1.00 0.00 C ATOM 467 CZ TYR A 29 -0.387 -2.183 -6.908 1.00 0.00 C ATOM 468 OH TYR A 29 0.444 -3.260 -6.674 1.00 0.00 O ATOM 0 H TYR A 29 -2.259 1.600 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.606 2.257 -6.752 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.636 0.951 -8.505 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.385 2.047 -7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.580 1.170 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.368 -1.415 -8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.909 -0.768 -5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.876 -3.350 -7.935 1.00 0.00 H new ATOM 0 HH TYR A 29 0.042 -4.071 -7.049 1.00 0.00 H new ATOM 478 N PRO A 30 -5.867 0.137 -6.089 1.00 0.00 N ATOM 479 CA PRO A 30 -6.603 -1.030 -5.570 1.00 0.00 C ATOM 480 C PRO A 30 -6.479 -2.261 -6.465 1.00 0.00 C ATOM 481 O PRO A 30 -6.328 -2.153 -7.681 1.00 0.00 O ATOM 482 CB PRO A 30 -8.040 -0.524 -5.551 1.00 0.00 C ATOM 483 CG PRO A 30 -8.133 0.603 -6.573 1.00 0.00 C ATOM 484 CD PRO A 30 -6.707 1.089 -6.852 1.00 0.00 C ATOM 0 HA PRO A 30 -6.224 -1.362 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.734 -1.327 -5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.309 -0.166 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.605 0.251 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.748 1.418 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.475 1.066 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.559 2.115 -6.516 1.00 0.00 H new ATOM 492 N THR A 31 -6.553 -3.434 -5.841 1.00 0.00 N ATOM 493 CA THR A 31 -6.458 -4.690 -6.579 1.00 0.00 C ATOM 494 C THR A 31 -7.792 -5.429 -6.519 1.00 0.00 C ATOM 495 O THR A 31 -8.759 -4.944 -5.932 1.00 0.00 O ATOM 496 CB THR A 31 -5.353 -5.575 -5.988 1.00 0.00 C ATOM 497 OG1 THR A 31 -5.325 -6.825 -6.665 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.614 -5.805 -4.498 1.00 0.00 C ATOM 0 H THR A 31 -6.677 -3.541 -4.834 1.00 0.00 H new ATOM 0 HA THR A 31 -6.214 -4.466 -7.617 1.00 0.00 H new ATOM 0 HB THR A 31 -4.392 -5.076 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.149 -6.677 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.826 -6.434 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.624 -4.847 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.578 -6.298 -4.369 1.00 0.00 H new ATOM 506 N SER A 32 -7.835 -6.608 -7.133 1.00 0.00 N ATOM 507 CA SER A 32 -9.058 -7.410 -7.144 1.00 0.00 C ATOM 508 C SER A 32 -9.492 -7.746 -5.720 1.00 0.00 C ATOM 509 O SER A 32 -8.686 -8.179 -4.896 1.00 0.00 O ATOM 510 CB SER A 32 -8.837 -8.711 -7.916 1.00 0.00 C ATOM 511 OG SER A 32 -7.815 -8.516 -8.886 1.00 0.00 O ATOM 0 H SER A 32 -7.046 -7.028 -7.625 1.00 0.00 H new ATOM 0 HA SER A 32 -9.838 -6.825 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.556 -9.510 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.762 -9.020 -8.403 1.00 0.00 H new ATOM 0 HG SER A 32 -7.670 -9.349 -9.381 1.00 0.00 H new ATOM 517 N GLN A 33 -10.777 -7.540 -5.439 1.00 0.00 N ATOM 518 CA GLN A 33 -11.309 -7.822 -4.107 1.00 0.00 C ATOM 519 C GLN A 33 -11.961 -9.205 -4.058 1.00 0.00 C ATOM 520 O GLN A 33 -12.823 -9.465 -3.219 1.00 0.00 O ATOM 521 CB GLN A 33 -12.350 -6.771 -3.716 1.00 0.00 C ATOM 522 CG GLN A 33 -12.404 -6.649 -2.191 1.00 0.00 C ATOM 523 CD GLN A 33 -13.149 -5.375 -1.809 1.00 0.00 C ATOM 524 OE1 GLN A 33 -12.541 -4.314 -1.662 1.00 0.00 O ATOM 525 NE2 GLN A 33 -14.441 -5.415 -1.635 1.00 0.00 N ATOM 0 H GLN A 33 -11.462 -7.184 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.475 -7.795 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.095 -5.809 -4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.329 -7.052 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.905 -7.518 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.394 -6.629 -1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.945 -6.293 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.947 -4.568 -1.377 1.00 0.00 H new ATOM 534 N LEU A 34 -11.538 -10.091 -4.959 1.00 0.00 N ATOM 535 CA LEU A 34 -12.088 -11.443 -4.999 1.00 0.00 C ATOM 536 C LEU A 34 -10.997 -12.459 -4.679 1.00 0.00 C ATOM 537 O LEU A 34 -10.982 -13.569 -5.213 1.00 0.00 O ATOM 538 CB LEU A 34 -12.669 -11.755 -6.384 1.00 0.00 C ATOM 539 CG LEU A 34 -13.590 -10.683 -6.989 1.00 0.00 C ATOM 540 CD1 LEU A 34 -14.619 -10.225 -5.951 1.00 0.00 C ATOM 541 CD2 LEU A 34 -12.753 -9.482 -7.441 1.00 0.00 C ATOM 0 H LEU A 34 -10.825 -9.899 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.884 -11.506 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.841 -11.925 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.227 -12.689 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.113 -11.109 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.266 -9.466 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.222 -11.077 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.103 -9.806 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.407 -8.723 -7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.225 -9.064 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.031 -9.804 -8.191 1.00 0.00 H new ATOM 553 N CYS A 35 -10.078 -12.063 -3.803 1.00 0.00 N ATOM 554 CA CYS A 35 -8.975 -12.941 -3.418 1.00 0.00 C ATOM 555 C CYS A 35 -9.143 -13.400 -1.973 1.00 0.00 C ATOM 556 O CYS A 35 -10.061 -12.971 -1.273 1.00 0.00 O ATOM 557 CB CYS A 35 -7.631 -12.215 -3.558 1.00 0.00 C ATOM 558 SG CYS A 35 -7.494 -11.489 -5.214 1.00 0.00 S ATOM 0 H CYS A 35 -10.073 -11.149 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.988 -13.806 -4.081 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.548 -11.435 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.811 -12.913 -3.388 1.00 0.00 H new ATOM 563 N SER A 36 -8.246 -14.279 -1.533 1.00 0.00 N ATOM 564 CA SER A 36 -8.302 -14.793 -0.166 1.00 0.00 C ATOM 565 C SER A 36 -8.132 -13.657 0.836 1.00 0.00 C ATOM 566 O SER A 36 -8.762 -13.640 1.894 1.00 0.00 O ATOM 567 CB SER A 36 -7.202 -15.830 0.062 1.00 0.00 C ATOM 568 OG SER A 36 -7.195 -16.753 -1.018 1.00 0.00 O ATOM 0 H SER A 36 -7.479 -14.647 -2.096 1.00 0.00 H new ATOM 0 HA SER A 36 -9.275 -15.262 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.233 -15.337 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.370 -16.355 1.003 1.00 0.00 H new ATOM 0 HG SER A 36 -7.939 -17.382 -0.916 1.00 0.00 H new ATOM 574 N LYS A 37 -7.271 -12.706 0.488 1.00 0.00 N ATOM 575 CA LYS A 37 -7.018 -11.562 1.360 1.00 0.00 C ATOM 576 C LYS A 37 -6.605 -10.342 0.525 1.00 0.00 C ATOM 577 O LYS A 37 -5.427 -9.985 0.476 1.00 0.00 O ATOM 578 CB LYS A 37 -5.912 -11.888 2.369 1.00 0.00 C ATOM 579 CG LYS A 37 -4.657 -12.352 1.625 1.00 0.00 C ATOM 580 CD LYS A 37 -3.926 -13.403 2.464 1.00 0.00 C ATOM 581 CE LYS A 37 -3.120 -14.323 1.544 1.00 0.00 C ATOM 582 NZ LYS A 37 -3.107 -15.702 2.109 1.00 0.00 N ATOM 0 H LYS A 37 -6.741 -12.703 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.936 -11.336 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.685 -11.009 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.249 -12.666 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.929 -12.770 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.000 -11.503 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.263 -12.916 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.644 -13.986 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.558 -14.331 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.101 -13.951 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.559 -16.328 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.670 -15.686 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.082 -16.055 2.185 1.00 0.00 H new ATOM 596 N PRO A 38 -7.567 -9.688 -0.149 1.00 0.00 N ATOM 597 CA PRO A 38 -7.269 -8.509 -0.981 1.00 0.00 C ATOM 598 C PRO A 38 -7.177 -7.218 -0.169 1.00 0.00 C ATOM 599 O PRO A 38 -7.426 -7.204 1.036 1.00 0.00 O ATOM 600 CB PRO A 38 -8.465 -8.467 -1.924 1.00 0.00 C ATOM 601 CG PRO A 38 -9.611 -9.196 -1.228 1.00 0.00 C ATOM 602 CD PRO A 38 -8.999 -10.070 -0.128 1.00 0.00 C ATOM 0 HA PRO A 38 -6.302 -8.584 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.743 -7.437 -2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.224 -8.946 -2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.317 -8.483 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.165 -9.808 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.454 -9.873 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.136 -11.132 -0.334 1.00 0.00 H new ATOM 610 N GLY A 39 -6.815 -6.135 -0.851 1.00 0.00 N ATOM 611 CA GLY A 39 -6.689 -4.837 -0.196 1.00 0.00 C ATOM 612 C GLY A 39 -6.232 -3.780 -1.196 1.00 0.00 C ATOM 613 O GLY A 39 -6.725 -3.717 -2.321 1.00 0.00 O ATOM 0 H GLY A 39 -6.605 -6.130 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.646 -4.547 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.974 -4.904 0.624 1.00 0.00 H new ATOM 617 N VAL A 40 -5.278 -2.954 -0.776 1.00 0.00 N ATOM 618 CA VAL A 40 -4.757 -1.907 -1.651 1.00 0.00 C ATOM 619 C VAL A 40 -3.259 -1.727 -1.441 1.00 0.00 C ATOM 620 O VAL A 40 -2.768 -1.733 -0.313 1.00 0.00 O ATOM 621 CB VAL A 40 -5.453 -0.570 -1.377 1.00 0.00 C ATOM 622 CG1 VAL A 40 -5.034 0.452 -2.431 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.967 -0.757 -1.432 1.00 0.00 C ATOM 0 H VAL A 40 -4.854 -2.987 0.151 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.950 -2.215 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.166 -0.214 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.530 1.402 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.954 0.592 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.318 0.092 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.459 0.196 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.253 -1.117 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.271 -1.483 -0.679 1.00 0.00 H new ATOM 633 N ILE A 41 -2.543 -1.554 -2.545 1.00 0.00 N ATOM 634 CA ILE A 41 -1.102 -1.355 -2.481 1.00 0.00 C ATOM 635 C ILE A 41 -0.778 0.119 -2.723 1.00 0.00 C ATOM 636 O ILE A 41 -1.329 0.754 -3.623 1.00 0.00 O ATOM 637 CB ILE A 41 -0.397 -2.247 -3.522 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.487 -3.701 -3.062 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.084 -1.866 -3.671 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.868 -4.262 -3.403 1.00 0.00 C ATOM 0 H ILE A 41 -2.933 -1.547 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.741 -1.636 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.888 -2.110 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.288 -4.295 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.312 -3.765 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.553 -2.513 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.162 -0.828 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.589 -1.986 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.931 -5.299 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.634 -3.674 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.025 -4.213 -4.481 1.00 0.00 H new ATOM 652 N PHE A 42 0.127 0.648 -1.909 1.00 0.00 N ATOM 653 CA PHE A 42 0.529 2.042 -2.035 1.00 0.00 C ATOM 654 C PHE A 42 1.717 2.166 -2.976 1.00 0.00 C ATOM 655 O PHE A 42 2.343 1.173 -3.345 1.00 0.00 O ATOM 656 CB PHE A 42 0.920 2.612 -0.669 1.00 0.00 C ATOM 657 CG PHE A 42 -0.311 3.125 0.034 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.125 2.243 0.755 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.640 4.483 -0.034 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.268 2.720 1.407 1.00 0.00 C ATOM 661 CE2 PHE A 42 -1.784 4.960 0.617 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.597 4.078 1.337 1.00 0.00 C ATOM 0 H PHE A 42 0.593 0.137 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.317 2.602 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.401 1.842 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.643 3.418 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.871 1.195 0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.011 5.164 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.896 2.040 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.039 6.008 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.479 4.446 1.839 1.00 0.00 H new ATOM 672 N LEU A 43 2.026 3.401 -3.351 1.00 0.00 N ATOM 673 CA LEU A 43 3.150 3.666 -4.242 1.00 0.00 C ATOM 674 C LEU A 43 3.848 4.944 -3.809 1.00 0.00 C ATOM 675 O LEU A 43 3.418 6.046 -4.151 1.00 0.00 O ATOM 676 CB LEU A 43 2.678 3.821 -5.688 1.00 0.00 C ATOM 677 CG LEU A 43 1.370 4.595 -5.867 1.00 0.00 C ATOM 678 CD1 LEU A 43 1.361 5.275 -7.238 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.188 3.628 -5.773 1.00 0.00 C ATOM 0 H LEU A 43 1.516 4.233 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 43 3.838 2.822 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.460 4.324 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.557 2.829 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 43 1.287 5.350 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.429 5.826 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.203 5.964 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.445 4.520 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.744 4.179 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.273 2.873 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.192 3.142 -4.797 1.00 0.00 H new ATOM 691 N THR A 44 4.921 4.793 -3.040 1.00 0.00 N ATOM 692 CA THR A 44 5.651 5.955 -2.559 1.00 0.00 C ATOM 693 C THR A 44 6.258 6.726 -3.724 1.00 0.00 C ATOM 694 O THR A 44 6.378 6.212 -4.836 1.00 0.00 O ATOM 695 CB THR A 44 6.757 5.530 -1.594 1.00 0.00 C ATOM 696 OG1 THR A 44 7.713 4.750 -2.296 1.00 0.00 O ATOM 697 CG2 THR A 44 6.158 4.704 -0.455 1.00 0.00 C ATOM 0 H THR A 44 5.298 3.893 -2.742 1.00 0.00 H new ATOM 0 HA THR A 44 4.949 6.602 -2.033 1.00 0.00 H new ATOM 0 HB THR A 44 7.239 6.415 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.299 4.371 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.949 4.403 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.422 5.303 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.675 3.817 -0.864 1.00 0.00 H new ATOM 705 N LYS A 45 6.632 7.975 -3.455 1.00 0.00 N ATOM 706 CA LYS A 45 7.219 8.832 -4.486 1.00 0.00 C ATOM 707 C LYS A 45 8.458 8.180 -5.101 1.00 0.00 C ATOM 708 O LYS A 45 8.543 8.001 -6.316 1.00 0.00 O ATOM 709 CB LYS A 45 7.614 10.186 -3.891 1.00 0.00 C ATOM 710 CG LYS A 45 6.366 11.062 -3.745 1.00 0.00 C ATOM 711 CD LYS A 45 6.513 11.966 -2.517 1.00 0.00 C ATOM 712 CE LYS A 45 7.041 13.336 -2.948 1.00 0.00 C ATOM 713 NZ LYS A 45 7.895 13.902 -1.867 1.00 0.00 N ATOM 0 H LYS A 45 6.541 8.415 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 45 6.468 8.975 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.088 10.044 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.344 10.679 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.228 11.668 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.480 10.436 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.551 12.077 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.195 11.512 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.616 13.242 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.209 14.008 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.254 14.833 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.332 14.005 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.696 13.263 -1.687 1.00 0.00 H new ATOM 727 N ARG A 46 9.420 7.837 -4.250 1.00 0.00 N ATOM 728 CA ARG A 46 10.654 7.215 -4.724 1.00 0.00 C ATOM 729 C ARG A 46 10.995 5.941 -3.941 1.00 0.00 C ATOM 730 O ARG A 46 12.018 5.307 -4.200 1.00 0.00 O ATOM 731 CB ARG A 46 11.817 8.193 -4.580 1.00 0.00 C ATOM 732 CG ARG A 46 13.042 7.647 -5.315 1.00 0.00 C ATOM 733 CD ARG A 46 14.022 8.787 -5.594 1.00 0.00 C ATOM 734 NE ARG A 46 15.367 8.263 -5.846 1.00 0.00 N ATOM 735 CZ ARG A 46 16.453 9.051 -5.837 1.00 0.00 C ATOM 736 NH1 ARG A 46 16.358 10.337 -5.600 1.00 0.00 N ATOM 737 NH2 ARG A 46 17.625 8.526 -6.070 1.00 0.00 N ATOM 0 H ARG A 46 9.372 7.976 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 46 10.497 6.950 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.540 9.165 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.050 8.343 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.526 6.877 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.738 7.178 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.683 9.362 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.045 9.469 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 46 15.481 7.267 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.446 10.756 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.196 10.918 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.708 7.527 -6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.458 9.115 -6.066 1.00 0.00 H new ATOM 751 N GLY A 47 10.149 5.570 -2.980 1.00 0.00 N ATOM 752 CA GLY A 47 10.406 4.377 -2.183 1.00 0.00 C ATOM 753 C GLY A 47 9.999 3.114 -2.933 1.00 0.00 C ATOM 754 O GLY A 47 10.628 2.729 -3.919 1.00 0.00 O ATOM 0 H GLY A 47 9.294 6.071 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.465 4.327 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.856 4.439 -1.244 1.00 0.00 H new ATOM 758 N ARG A 48 8.942 2.470 -2.449 1.00 0.00 N ATOM 759 CA ARG A 48 8.456 1.241 -3.072 1.00 0.00 C ATOM 760 C ARG A 48 6.961 1.067 -2.824 1.00 0.00 C ATOM 761 O ARG A 48 6.303 1.944 -2.265 1.00 0.00 O ATOM 762 CB ARG A 48 9.208 0.030 -2.506 1.00 0.00 C ATOM 763 CG ARG A 48 10.371 -0.334 -3.432 1.00 0.00 C ATOM 764 CD ARG A 48 10.711 -1.816 -3.269 1.00 0.00 C ATOM 765 NE ARG A 48 12.110 -2.068 -3.623 1.00 0.00 N ATOM 766 CZ ARG A 48 12.607 -3.310 -3.726 1.00 0.00 C ATOM 767 NH1 ARG A 48 11.855 -4.364 -3.510 1.00 0.00 N ATOM 768 NH2 ARG A 48 13.861 -3.472 -4.044 1.00 0.00 N ATOM 0 H ARG A 48 8.409 2.774 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 48 8.632 1.311 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.583 0.256 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.530 -0.818 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.104 -0.123 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.242 0.278 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.530 -2.125 -2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.057 -2.416 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 48 12.726 -1.274 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.873 -4.247 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.252 -5.300 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.454 -2.659 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.249 -4.412 -4.125 1.00 0.00 H new ATOM 782 N GLN A 49 6.433 -0.084 -3.238 1.00 0.00 N ATOM 783 CA GLN A 49 5.016 -0.375 -3.045 1.00 0.00 C ATOM 784 C GLN A 49 4.800 -1.028 -1.683 1.00 0.00 C ATOM 785 O GLN A 49 5.731 -1.568 -1.086 1.00 0.00 O ATOM 786 CB GLN A 49 4.507 -1.316 -4.138 1.00 0.00 C ATOM 787 CG GLN A 49 4.012 -0.495 -5.330 1.00 0.00 C ATOM 788 CD GLN A 49 5.137 -0.346 -6.349 1.00 0.00 C ATOM 789 OE1 GLN A 49 5.800 -1.322 -6.698 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.392 0.830 -6.854 1.00 0.00 N ATOM 0 H GLN A 49 6.960 -0.822 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 49 4.464 0.563 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.304 -1.989 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.699 -1.937 -3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.153 -0.984 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.678 0.487 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.843 1.639 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.141 0.940 -7.538 1.00 0.00 H new ATOM 799 N VAL A 50 3.564 -0.968 -1.190 1.00 0.00 N ATOM 800 CA VAL A 50 3.250 -1.554 0.113 1.00 0.00 C ATOM 801 C VAL A 50 1.774 -1.934 0.200 1.00 0.00 C ATOM 802 O VAL A 50 0.891 -1.130 -0.096 1.00 0.00 O ATOM 803 CB VAL A 50 3.568 -0.554 1.236 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.272 -1.178 2.605 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.046 -0.170 1.176 1.00 0.00 C ATOM 0 H VAL A 50 2.775 -0.527 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 50 3.859 -2.450 0.228 1.00 0.00 H new ATOM 0 HB VAL A 50 2.946 0.331 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.502 -0.458 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.218 -1.451 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.885 -2.069 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.270 0.539 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.659 -1.062 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.264 0.288 0.211 1.00 0.00 H new ATOM 815 N CYS A 51 1.521 -3.163 0.644 1.00 0.00 N ATOM 816 CA CYS A 51 0.151 -3.636 0.806 1.00 0.00 C ATOM 817 C CYS A 51 -0.436 -3.034 2.076 1.00 0.00 C ATOM 818 O CYS A 51 0.153 -3.142 3.152 1.00 0.00 O ATOM 819 CB CYS A 51 0.118 -5.162 0.918 1.00 0.00 C ATOM 820 SG CYS A 51 0.548 -5.896 -0.680 1.00 0.00 S ATOM 0 H CYS A 51 2.239 -3.842 0.895 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.431 -3.333 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.818 -5.496 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.874 -5.493 1.227 1.00 0.00 H new ATOM 825 N ALA A 52 -1.589 -2.385 1.949 1.00 0.00 N ATOM 826 CA ALA A 52 -2.214 -1.761 3.112 1.00 0.00 C ATOM 827 C ALA A 52 -3.683 -2.146 3.224 1.00 0.00 C ATOM 828 O ALA A 52 -4.444 -2.054 2.262 1.00 0.00 O ATOM 829 CB ALA A 52 -2.110 -0.239 3.016 1.00 0.00 C ATOM 0 H ALA A 52 -2.101 -2.278 1.073 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.686 -2.116 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.580 0.214 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.060 0.052 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.616 0.104 2.113 1.00 0.00 H new ATOM 835 N ASP A 53 -4.071 -2.563 4.425 1.00 0.00 N ATOM 836 CA ASP A 53 -5.455 -2.945 4.679 1.00 0.00 C ATOM 837 C ASP A 53 -6.192 -1.775 5.318 1.00 0.00 C ATOM 838 O ASP A 53 -5.782 -1.260 6.358 1.00 0.00 O ATOM 839 CB ASP A 53 -5.519 -4.153 5.617 1.00 0.00 C ATOM 840 CG ASP A 53 -5.553 -5.437 4.795 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.159 -5.425 3.736 1.00 0.00 O ATOM 842 OD2 ASP A 53 -4.974 -6.415 5.238 1.00 0.00 O ATOM 0 H ASP A 53 -3.452 -2.645 5.232 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.923 -3.211 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.655 -4.157 6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.405 -4.090 6.248 1.00 0.00 H new ATOM 847 N LYS A 54 -7.281 -1.353 4.681 1.00 0.00 N ATOM 848 CA LYS A 54 -8.068 -0.229 5.193 1.00 0.00 C ATOM 849 C LYS A 54 -8.499 -0.465 6.643 1.00 0.00 C ATOM 850 O LYS A 54 -8.773 0.483 7.379 1.00 0.00 O ATOM 851 CB LYS A 54 -9.314 -0.012 4.331 1.00 0.00 C ATOM 852 CG LYS A 54 -10.128 -1.307 4.271 1.00 0.00 C ATOM 853 CD LYS A 54 -10.893 -1.368 2.947 1.00 0.00 C ATOM 854 CE LYS A 54 -11.961 -0.273 2.922 1.00 0.00 C ATOM 855 NZ LYS A 54 -12.145 0.209 1.525 1.00 0.00 N ATOM 0 H LYS A 54 -7.638 -1.765 3.819 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.434 0.657 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.921 0.792 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.024 0.294 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.467 -2.169 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.825 -1.350 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.205 -1.239 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.358 -2.347 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.903 -0.660 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.665 0.554 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.871 0.953 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.246 0.593 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.446 -0.583 0.921 1.00 0.00 H new ATOM 869 N SER A 55 -8.549 -1.735 7.050 1.00 0.00 N ATOM 870 CA SER A 55 -8.943 -2.074 8.420 1.00 0.00 C ATOM 871 C SER A 55 -8.043 -1.359 9.429 1.00 0.00 C ATOM 872 O SER A 55 -8.469 -1.023 10.534 1.00 0.00 O ATOM 873 CB SER A 55 -8.851 -3.583 8.643 1.00 0.00 C ATOM 874 OG SER A 55 -9.962 -4.011 9.421 1.00 0.00 O ATOM 0 H SER A 55 -8.325 -2.536 6.460 1.00 0.00 H new ATOM 0 HA SER A 55 -9.973 -1.750 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.840 -4.104 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.919 -3.831 9.151 1.00 0.00 H new ATOM 0 HG SER A 55 -9.907 -4.979 9.565 1.00 0.00 H new ATOM 880 N LYS A 56 -6.794 -1.124 9.030 1.00 0.00 N ATOM 881 CA LYS A 56 -5.842 -0.440 9.900 1.00 0.00 C ATOM 882 C LYS A 56 -6.318 0.983 10.177 1.00 0.00 C ATOM 883 O LYS A 56 -7.431 1.360 9.810 1.00 0.00 O ATOM 884 CB LYS A 56 -4.459 -0.389 9.247 1.00 0.00 C ATOM 885 CG LYS A 56 -4.006 -1.809 8.895 1.00 0.00 C ATOM 886 CD LYS A 56 -3.172 -2.378 10.043 1.00 0.00 C ATOM 887 CE LYS A 56 -2.281 -3.505 9.518 1.00 0.00 C ATOM 888 NZ LYS A 56 -1.298 -3.892 10.569 1.00 0.00 N ATOM 0 H LYS A 56 -6.422 -1.394 8.120 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.775 -0.994 10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.492 0.227 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.742 0.075 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.873 -2.444 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.420 -1.798 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.560 -1.592 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.826 -2.754 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.890 -4.365 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.758 -3.181 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.692 -4.658 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.709 -3.070 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.806 -4.218 11.416 1.00 0.00 H new ATOM 902 N ASP A 57 -5.467 1.769 10.830 1.00 0.00 N ATOM 903 CA ASP A 57 -5.823 3.149 11.150 1.00 0.00 C ATOM 904 C ASP A 57 -4.997 4.128 10.322 1.00 0.00 C ATOM 905 O ASP A 57 -5.523 5.104 9.789 1.00 0.00 O ATOM 906 CB ASP A 57 -5.590 3.432 12.636 1.00 0.00 C ATOM 907 CG ASP A 57 -6.377 2.432 13.473 1.00 0.00 C ATOM 908 OD1 ASP A 57 -5.844 1.368 13.748 1.00 0.00 O ATOM 909 OD2 ASP A 57 -7.502 2.742 13.830 1.00 0.00 O ATOM 0 H ASP A 57 -4.540 1.481 11.144 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.879 3.282 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.527 3.360 12.869 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.901 4.449 12.877 1.00 0.00 H new ATOM 914 N TRP A 58 -3.698 3.863 10.221 1.00 0.00 N ATOM 915 CA TRP A 58 -2.821 4.741 9.453 1.00 0.00 C ATOM 916 C TRP A 58 -3.075 4.585 7.958 1.00 0.00 C ATOM 917 O TRP A 58 -2.863 5.516 7.180 1.00 0.00 O ATOM 918 CB TRP A 58 -1.346 4.461 9.757 1.00 0.00 C ATOM 919 CG TRP A 58 -1.001 3.032 9.464 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.089 2.014 10.350 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.486 2.454 8.229 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.659 0.848 9.738 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.280 1.068 8.428 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.183 2.993 6.967 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.214 0.247 7.407 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.313 2.172 5.942 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.512 0.803 6.161 1.00 0.00 C ATOM 0 H TRP A 58 -3.236 3.063 10.652 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.047 5.766 9.749 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.716 5.121 9.161 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.138 4.682 10.804 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.438 2.097 11.369 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.626 -0.062 10.198 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.333 4.047 6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.363 -0.808 7.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.543 2.599 4.977 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.895 0.178 5.368 1.00 0.00 H new ATOM 938 N VAL A 59 -3.544 3.405 7.560 1.00 0.00 N ATOM 939 CA VAL A 59 -3.835 3.158 6.153 1.00 0.00 C ATOM 940 C VAL A 59 -5.083 3.928 5.742 1.00 0.00 C ATOM 941 O VAL A 59 -5.172 4.447 4.630 1.00 0.00 O ATOM 942 CB VAL A 59 -4.063 1.666 5.904 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.196 1.410 4.400 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.874 0.876 6.447 1.00 0.00 C ATOM 0 H VAL A 59 -3.728 2.617 8.181 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.982 3.491 5.562 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.976 1.350 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.358 0.346 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.041 1.975 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.283 1.726 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.033 -0.188 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.963 1.195 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.776 1.056 7.518 1.00 0.00 H new ATOM 954 N LYS A 60 -6.045 3.997 6.657 1.00 0.00 N ATOM 955 CA LYS A 60 -7.291 4.706 6.385 1.00 0.00 C ATOM 956 C LYS A 60 -7.021 6.178 6.094 1.00 0.00 C ATOM 957 O LYS A 60 -7.506 6.726 5.105 1.00 0.00 O ATOM 958 CB LYS A 60 -8.237 4.596 7.581 1.00 0.00 C ATOM 959 CG LYS A 60 -9.662 4.938 7.140 1.00 0.00 C ATOM 960 CD LYS A 60 -10.663 4.299 8.106 1.00 0.00 C ATOM 961 CE LYS A 60 -11.996 4.081 7.387 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.793 3.057 8.121 1.00 0.00 N ATOM 0 H LYS A 60 -5.988 3.575 7.584 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.754 4.248 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.205 3.587 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.918 5.273 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.798 6.019 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.837 4.577 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.275 3.348 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.807 4.941 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.550 5.018 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.820 3.755 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.699 2.908 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.264 2.162 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.972 3.386 9.091 1.00 0.00 H new ATOM 976 N LYS A 61 -6.238 6.811 6.962 1.00 0.00 N ATOM 977 CA LYS A 61 -5.909 8.222 6.776 1.00 0.00 C ATOM 978 C LYS A 61 -5.140 8.413 5.475 1.00 0.00 C ATOM 979 O LYS A 61 -5.270 9.437 4.805 1.00 0.00 O ATOM 980 CB LYS A 61 -5.064 8.739 7.942 1.00 0.00 C ATOM 981 CG LYS A 61 -5.981 9.150 9.095 1.00 0.00 C ATOM 982 CD LYS A 61 -6.549 10.544 8.825 1.00 0.00 C ATOM 983 CE LYS A 61 -7.299 11.039 10.063 1.00 0.00 C ATOM 984 NZ LYS A 61 -7.807 12.418 9.818 1.00 0.00 N ATOM 0 H LYS A 61 -5.825 6.379 7.788 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.841 8.785 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.370 7.966 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.463 9.590 7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.792 8.430 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.426 9.148 10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.743 11.234 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.221 10.514 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.129 10.370 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.637 11.032 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.317 12.755 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.007 13.053 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.452 12.410 9.002 1.00 0.00 H new ATOM 998 N LEU A 62 -4.347 7.407 5.117 1.00 0.00 N ATOM 999 CA LEU A 62 -3.574 7.468 3.884 1.00 0.00 C ATOM 1000 C LEU A 62 -4.512 7.462 2.691 1.00 0.00 C ATOM 1001 O LEU A 62 -4.468 8.345 1.837 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.647 6.264 3.768 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.356 6.349 4.573 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.650 4.999 4.510 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.450 7.429 3.976 1.00 0.00 C ATOM 0 H LEU A 62 -4.224 6.550 5.657 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.982 8.383 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.193 5.375 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.391 6.125 2.718 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.580 6.603 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.276 5.046 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.298 4.230 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.423 4.755 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.473 7.489 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.216 7.177 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.961 8.391 4.008 1.00 0.00 H new ATOM 1017 N MET A 63 -5.369 6.444 2.644 1.00 0.00 N ATOM 1018 CA MET A 63 -6.335 6.308 1.548 1.00 0.00 C ATOM 1019 C MET A 63 -7.110 7.609 1.339 1.00 0.00 C ATOM 1020 O MET A 63 -7.331 8.045 0.209 1.00 0.00 O ATOM 1021 CB MET A 63 -7.332 5.186 1.843 1.00 0.00 C ATOM 1022 CG MET A 63 -6.606 3.836 1.874 1.00 0.00 C ATOM 1023 SD MET A 63 -5.960 3.444 0.228 1.00 0.00 S ATOM 1024 CE MET A 63 -7.500 2.816 -0.483 1.00 0.00 C ATOM 0 H MET A 63 -5.417 5.705 3.345 1.00 0.00 H new ATOM 0 HA MET A 63 -5.772 6.072 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.823 5.366 2.799 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.112 5.172 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.790 3.869 2.596 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.290 3.053 2.201 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.281 2.273 -1.402 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.983 2.146 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.165 3.650 -0.704 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.510 8.223 2.446 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.251 9.478 2.383 1.00 0.00 C ATOM 1036 C GLN A 64 -7.302 10.644 2.109 1.00 0.00 C ATOM 1037 O GLN A 64 -7.679 11.637 1.486 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.986 9.733 3.701 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.212 8.823 3.787 1.00 0.00 C ATOM 1040 CD GLN A 64 -11.009 9.159 5.042 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -11.924 9.982 5.002 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -10.716 8.565 6.165 1.00 0.00 N ATOM 0 H GLN A 64 -7.336 7.877 3.390 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.976 9.401 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.320 9.544 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.291 10.778 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.836 8.951 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.902 7.778 3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.958 7.883 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.245 8.782 7.010 1.00 0.00 H new ATOM 1051 N GLN A 65 -6.065 10.512 2.586 1.00 0.00 N ATOM 1052 CA GLN A 65 -5.065 11.558 2.394 1.00 0.00 C ATOM 1053 C GLN A 65 -4.621 11.623 0.936 1.00 0.00 C ATOM 1054 O GLN A 65 -4.504 12.703 0.355 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.843 11.289 3.275 1.00 0.00 C ATOM 1056 CG GLN A 65 -4.058 11.915 4.657 1.00 0.00 C ATOM 1057 CD GLN A 65 -3.301 13.235 4.749 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -3.427 14.093 3.875 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -2.512 13.452 5.766 1.00 0.00 N ATOM 0 H GLN A 65 -5.734 9.698 3.104 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.518 12.510 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.681 10.215 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.949 11.705 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.121 12.082 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.713 11.232 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.407 12.742 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.001 14.332 5.836 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.377 10.455 0.353 1.00 0.00 N ATOM 1069 CA LEU A 66 -3.947 10.383 -1.039 1.00 0.00 C ATOM 1070 C LEU A 66 -5.162 10.233 -1.956 1.00 0.00 C ATOM 1071 O LEU A 66 -6.203 9.734 -1.531 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.014 9.188 -1.253 1.00 0.00 C ATOM 1073 CG LEU A 66 -1.594 9.359 -0.702 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.658 9.728 0.780 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -0.822 8.045 -0.865 1.00 0.00 C ATOM 0 H LEU A 66 -4.468 9.552 0.818 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.414 11.304 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.463 8.310 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.949 8.985 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.087 10.152 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.647 9.849 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.207 10.662 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.166 8.936 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.188 8.165 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.332 7.253 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.773 7.781 -1.921 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.053 10.655 -3.226 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.175 10.540 -4.171 1.00 0.00 C ATOM 1089 C PRO A 67 -6.318 9.120 -4.724 1.00 0.00 C ATOM 1090 O PRO A 67 -7.171 8.360 -4.275 1.00 0.00 O ATOM 1091 CB PRO A 67 -5.793 11.543 -5.257 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.281 11.724 -5.189 1.00 0.00 C ATOM 1093 CD PRO A 67 -3.827 11.261 -3.799 1.00 0.00 C ATOM 0 HA PRO A 67 -7.145 10.743 -3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.093 11.180 -6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.302 12.494 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.789 11.141 -5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.011 12.767 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.012 10.539 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.469 12.094 -3.194 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.464 8.770 -5.692 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.481 7.435 -6.303 1.00 0.00 C ATOM 1103 C VAL A 68 -4.513 7.426 -7.495 1.00 0.00 C ATOM 1104 O VAL A 68 -4.105 8.477 -7.989 1.00 0.00 O ATOM 1105 CB VAL A 68 -6.939 7.035 -6.724 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -6.997 6.347 -8.102 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.526 6.073 -5.676 1.00 0.00 C ATOM 0 H VAL A 68 -4.751 9.394 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.151 6.689 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.515 7.958 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.030 6.094 -8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.605 7.022 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.396 5.438 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.539 5.793 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.906 5.179 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.550 6.565 -4.704 1.00 0.00 H new ATOM 1117 N THR A 69 -4.156 6.226 -7.944 1.00 0.00 N ATOM 1118 CA THR A 69 -3.240 6.091 -9.075 1.00 0.00 C ATOM 1119 C THR A 69 -3.956 6.414 -10.381 1.00 0.00 C ATOM 1120 O THR A 69 -4.939 5.768 -10.745 1.00 0.00 O ATOM 1121 CB THR A 69 -2.688 4.665 -9.148 1.00 0.00 C ATOM 1122 OG1 THR A 69 -3.649 3.760 -8.623 1.00 0.00 O ATOM 1123 CG2 THR A 69 -1.399 4.573 -8.331 1.00 0.00 C ATOM 0 H THR A 69 -4.481 5.343 -7.549 1.00 0.00 H new ATOM 0 HA THR A 69 -2.418 6.792 -8.929 1.00 0.00 H new ATOM 0 HB THR A 69 -2.476 4.409 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.903 3.114 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.007 3.557 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.662 5.268 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.608 4.828 -7.292 1.00 0.00 H new ATOM 1131 N ALA A 70 -3.451 7.424 -11.084 1.00 0.00 N ATOM 1132 CA ALA A 70 -4.049 7.830 -12.353 1.00 0.00 C ATOM 1133 C ALA A 70 -3.061 8.662 -13.164 1.00 0.00 C ATOM 1134 O ALA A 70 -1.907 8.837 -12.775 1.00 0.00 O ATOM 1135 CB ALA A 70 -5.314 8.655 -12.111 1.00 0.00 C ATOM 0 H ALA A 70 -2.638 7.971 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.307 6.927 -12.907 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.746 8.949 -13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.037 8.058 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.062 9.547 -11.538 1.00 0.00 H new ATOM 1141 N ARG A 71 -3.528 9.174 -14.300 1.00 0.00 N ATOM 1142 CA ARG A 71 -2.679 9.989 -15.164 1.00 0.00 C ATOM 1143 C ARG A 71 -2.234 11.252 -14.434 1.00 0.00 C ATOM 1144 O ARG A 71 -1.097 11.654 -14.625 1.00 0.00 O ATOM 1145 CB ARG A 71 -3.433 10.387 -16.434 1.00 0.00 C ATOM 1146 CG ARG A 71 -2.445 10.509 -17.597 1.00 0.00 C ATOM 1147 CD ARG A 71 -3.157 11.112 -18.809 1.00 0.00 C ATOM 1148 NE ARG A 71 -4.351 10.335 -19.146 1.00 0.00 N ATOM 1149 CZ ARG A 71 -5.314 10.818 -19.946 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -5.226 12.018 -20.468 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -6.357 10.079 -20.210 1.00 0.00 N ATOM 1152 OXT ARG A 71 -3.035 11.799 -13.695 1.00 0.00 O ATOM 0 H ARG A 71 -4.480 9.041 -14.641 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.804 9.397 -15.432 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.194 9.642 -16.666 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.950 11.334 -16.281 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.602 11.136 -17.308 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.041 9.529 -17.850 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.436 12.144 -18.597 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.479 11.134 -19.662 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.454 9.396 -18.760 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.414 12.603 -20.268 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.969 12.366 -21.074 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.434 9.144 -19.809 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.095 10.436 -20.817 1.00 0.00 H new TER 1166 ARG A 71