USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 CYS SG : rot 38:sc= 0.527 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -2.08! C(o=-1.6!,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=0.000395 USER MOD Single : A 13 MET CE :methyl -148:sc= -0.564 (180deg=-1.97) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.496 USER MOD Single : A 18 SER OG : rot 180:sc= -0.014 USER MOD Single : A 19 MET CE :methyl -151:sc= -0.119 (180deg=-0.616) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -134:sc= -1.59 (180deg=-2.19) USER MOD Single : A 25 MET CE :methyl -139:sc= -0.375 (180deg=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.589 K(o=-0.59,f=-1.2) USER MOD Single : A 49 CYS SG : rot 166:sc= 0.883 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc=-0.00388 F(o=-0.56,f=-0.0039) USER MOD Single : A 64 MET CE :methyl -155:sc= -6.57! (180deg=-9.86!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0336 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.09 K(o=-2.1,f=-4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -136:sc= -0.165 (180deg=-0.993) USER MOD Single : A 91 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc=-0.00918 (180deg=-0.14) USER MOD Single : A 98 ASN : amide:sc= -0.0794 K(o=-0.079,f=-0.91) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.639 15.833 -25.352 1.00 0.00 N ATOM 2 CA GLY A 1 14.298 16.387 -25.342 1.00 0.00 C ATOM 3 C GLY A 1 13.365 15.630 -24.418 1.00 0.00 C ATOM 4 O GLY A 1 12.653 14.724 -24.851 1.00 0.00 O ATOM 0 H1 GLY A 1 16.238 16.385 -25.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.038 15.872 -24.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.604 14.844 -25.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.342 17.431 -25.033 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.894 16.371 -26.354 1.00 0.00 H new ATOM 8 N SER A 2 13.369 16.000 -23.142 1.00 0.00 N ATOM 9 CA SER A 2 12.521 15.346 -22.153 1.00 0.00 C ATOM 10 C SER A 2 11.083 15.244 -22.653 1.00 0.00 C ATOM 11 O SER A 2 10.512 16.222 -23.137 1.00 0.00 O ATOM 12 CB SER A 2 12.559 16.112 -20.829 1.00 0.00 C ATOM 13 OG SER A 2 12.086 17.438 -20.994 1.00 0.00 O ATOM 0 H SER A 2 13.951 16.750 -22.768 1.00 0.00 H new ATOM 0 HA SER A 2 12.904 14.338 -21.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.950 15.595 -20.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.579 16.131 -20.445 1.00 0.00 H new ATOM 0 HG SER A 2 12.118 17.906 -20.134 1.00 0.00 H new ATOM 19 N SER A 3 10.504 14.054 -22.533 1.00 0.00 N ATOM 20 CA SER A 3 9.134 13.822 -22.976 1.00 0.00 C ATOM 21 C SER A 3 8.170 14.781 -22.285 1.00 0.00 C ATOM 22 O SER A 3 8.278 15.031 -21.085 1.00 0.00 O ATOM 23 CB SER A 3 8.722 12.376 -22.694 1.00 0.00 C ATOM 24 OG SER A 3 9.522 11.466 -23.429 1.00 0.00 O ATOM 0 H SER A 3 10.962 13.235 -22.133 1.00 0.00 H new ATOM 0 HA SER A 3 9.091 14.002 -24.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.816 12.169 -21.628 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.673 12.236 -22.955 1.00 0.00 H new ATOM 0 HG SER A 3 9.240 10.549 -23.230 1.00 0.00 H new ATOM 30 N GLY A 4 7.226 15.317 -23.053 1.00 0.00 N ATOM 31 CA GLY A 4 6.255 16.243 -22.499 1.00 0.00 C ATOM 32 C GLY A 4 5.177 16.619 -23.496 1.00 0.00 C ATOM 33 O GLY A 4 5.373 17.504 -24.329 1.00 0.00 O ATOM 0 H GLY A 4 7.116 15.126 -24.049 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.792 15.796 -21.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.767 17.145 -22.165 1.00 0.00 H new ATOM 37 N SER A 5 4.035 15.944 -23.413 1.00 0.00 N ATOM 38 CA SER A 5 2.923 16.208 -24.318 1.00 0.00 C ATOM 39 C SER A 5 1.649 16.517 -23.539 1.00 0.00 C ATOM 40 O SER A 5 1.602 16.364 -22.318 1.00 0.00 O ATOM 41 CB SER A 5 2.693 15.009 -25.240 1.00 0.00 C ATOM 42 OG SER A 5 2.381 13.845 -24.494 1.00 0.00 O ATOM 0 H SER A 5 3.856 15.210 -22.728 1.00 0.00 H new ATOM 0 HA SER A 5 3.178 17.079 -24.922 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.881 15.229 -25.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.585 14.832 -25.841 1.00 0.00 H new ATOM 0 HG SER A 5 2.237 13.093 -25.106 1.00 0.00 H new ATOM 48 N SER A 6 0.617 16.954 -24.253 1.00 0.00 N ATOM 49 CA SER A 6 -0.658 17.289 -23.629 1.00 0.00 C ATOM 50 C SER A 6 -1.692 16.198 -23.887 1.00 0.00 C ATOM 51 O SER A 6 -2.253 16.104 -24.978 1.00 0.00 O ATOM 52 CB SER A 6 -1.172 18.630 -24.157 1.00 0.00 C ATOM 53 OG SER A 6 -0.684 19.707 -23.376 1.00 0.00 O ATOM 0 H SER A 6 0.639 17.085 -25.264 1.00 0.00 H new ATOM 0 HA SER A 6 -0.499 17.367 -22.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.862 18.759 -25.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.262 18.634 -24.147 1.00 0.00 H new ATOM 0 HG SER A 6 -1.025 20.553 -23.735 1.00 0.00 H new ATOM 59 N GLY A 7 -1.940 15.375 -22.873 1.00 0.00 N ATOM 60 CA GLY A 7 -2.906 14.300 -23.009 1.00 0.00 C ATOM 61 C GLY A 7 -2.771 13.258 -21.917 1.00 0.00 C ATOM 62 O GLY A 7 -3.672 13.089 -21.095 1.00 0.00 O ATOM 0 H GLY A 7 -1.489 15.433 -21.960 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.913 14.716 -22.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.779 13.822 -23.980 1.00 0.00 H new ATOM 66 N ARG A 8 -1.643 12.554 -21.909 1.00 0.00 N ATOM 67 CA ARG A 8 -1.395 11.520 -20.912 1.00 0.00 C ATOM 68 C ARG A 8 -0.214 11.896 -20.021 1.00 0.00 C ATOM 69 O ARG A 8 0.463 12.896 -20.260 1.00 0.00 O ATOM 70 CB ARG A 8 -1.126 10.178 -21.594 1.00 0.00 C ATOM 71 CG ARG A 8 -2.365 9.550 -22.213 1.00 0.00 C ATOM 72 CD ARG A 8 -1.999 8.545 -23.294 1.00 0.00 C ATOM 73 NE ARG A 8 -3.156 7.773 -23.737 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.111 6.878 -24.718 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.971 6.643 -25.353 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.207 6.214 -25.064 1.00 0.00 N ATOM 0 H ARG A 8 -0.887 12.681 -22.582 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.285 11.431 -20.289 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.374 10.319 -22.370 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.705 9.487 -20.864 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.950 9.055 -21.437 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.996 10.330 -22.639 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.566 9.070 -24.145 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.234 7.867 -22.915 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.048 7.929 -23.268 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.126 7.150 -25.089 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.939 5.955 -26.106 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.085 6.391 -24.577 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.171 5.527 -25.817 1.00 0.00 H new ATOM 90 N PHE A 9 0.026 11.088 -18.994 1.00 0.00 N ATOM 91 CA PHE A 9 1.124 11.336 -18.067 1.00 0.00 C ATOM 92 C PHE A 9 1.807 10.030 -17.671 1.00 0.00 C ATOM 93 O PHE A 9 1.192 9.153 -17.064 1.00 0.00 O ATOM 94 CB PHE A 9 0.612 12.056 -16.818 1.00 0.00 C ATOM 95 CG PHE A 9 1.500 11.881 -15.619 1.00 0.00 C ATOM 96 CD1 PHE A 9 2.792 12.382 -15.618 1.00 0.00 C ATOM 97 CD2 PHE A 9 1.042 11.217 -14.493 1.00 0.00 C ATOM 98 CE1 PHE A 9 3.611 12.221 -14.516 1.00 0.00 C ATOM 99 CE2 PHE A 9 1.856 11.054 -13.388 1.00 0.00 C ATOM 100 CZ PHE A 9 3.142 11.558 -13.399 1.00 0.00 C ATOM 0 H PHE A 9 -0.525 10.256 -18.783 1.00 0.00 H new ATOM 0 HA PHE A 9 1.855 11.970 -18.569 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.514 13.120 -17.036 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.385 11.687 -16.579 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.163 12.904 -16.488 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.037 10.822 -14.478 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.617 12.613 -14.529 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.487 10.533 -12.517 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.779 11.434 -12.536 1.00 0.00 H new ATOM 110 N THR A 10 3.085 9.908 -18.018 1.00 0.00 N ATOM 111 CA THR A 10 3.852 8.710 -17.702 1.00 0.00 C ATOM 112 C THR A 10 3.897 8.468 -16.197 1.00 0.00 C ATOM 113 O THR A 10 3.378 9.265 -15.415 1.00 0.00 O ATOM 114 CB THR A 10 5.292 8.807 -18.238 1.00 0.00 C ATOM 115 OG1 THR A 10 5.928 9.983 -17.725 1.00 0.00 O ATOM 116 CG2 THR A 10 5.302 8.843 -19.759 1.00 0.00 C ATOM 0 H THR A 10 3.610 10.625 -18.518 1.00 0.00 H new ATOM 0 HA THR A 10 3.348 7.874 -18.187 1.00 0.00 H new ATOM 0 HB THR A 10 5.839 7.924 -17.907 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.844 10.036 -18.069 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.330 8.912 -20.115 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.844 7.934 -20.147 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.739 9.710 -20.106 1.00 0.00 H new ATOM 124 N TRP A 11 4.522 7.366 -15.799 1.00 0.00 N ATOM 125 CA TRP A 11 4.635 7.020 -14.386 1.00 0.00 C ATOM 126 C TRP A 11 6.087 7.086 -13.925 1.00 0.00 C ATOM 127 O TRP A 11 6.738 6.057 -13.744 1.00 0.00 O ATOM 128 CB TRP A 11 4.071 5.621 -14.136 1.00 0.00 C ATOM 129 CG TRP A 11 4.067 5.233 -12.688 1.00 0.00 C ATOM 130 CD1 TRP A 11 4.652 5.910 -11.656 1.00 0.00 C ATOM 131 CD2 TRP A 11 3.449 4.076 -12.113 1.00 0.00 C ATOM 132 NE1 TRP A 11 4.435 5.244 -10.474 1.00 0.00 N ATOM 133 CE2 TRP A 11 3.699 4.116 -10.727 1.00 0.00 C ATOM 134 CE3 TRP A 11 2.708 3.012 -12.632 1.00 0.00 C ATOM 135 CZ2 TRP A 11 3.235 3.132 -9.858 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.248 2.036 -11.769 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.512 2.102 -10.394 1.00 0.00 C ATOM 0 H TRP A 11 4.958 6.697 -16.434 1.00 0.00 H new ATOM 0 HA TRP A 11 4.057 7.745 -13.812 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.052 5.574 -14.520 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.658 4.894 -14.698 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.204 6.833 -11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.768 5.541 -9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.498 2.953 -13.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.439 3.180 -8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.675 1.208 -12.160 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.137 1.324 -9.745 1.00 0.00 H new ATOM 148 N SER A 12 6.589 8.303 -13.736 1.00 0.00 N ATOM 149 CA SER A 12 7.966 8.502 -13.299 1.00 0.00 C ATOM 150 C SER A 12 8.027 8.758 -11.796 1.00 0.00 C ATOM 151 O SER A 12 6.997 8.862 -11.131 1.00 0.00 O ATOM 152 CB SER A 12 8.598 9.674 -14.053 1.00 0.00 C ATOM 153 OG SER A 12 10.012 9.579 -14.050 1.00 0.00 O ATOM 0 H SER A 12 6.063 9.165 -13.879 1.00 0.00 H new ATOM 0 HA SER A 12 8.526 7.593 -13.519 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.234 9.689 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.292 10.614 -13.593 1.00 0.00 H new ATOM 0 HG SER A 12 10.392 10.338 -14.539 1.00 0.00 H new ATOM 159 N MET A 13 9.242 8.858 -11.268 1.00 0.00 N ATOM 160 CA MET A 13 9.439 9.102 -9.844 1.00 0.00 C ATOM 161 C MET A 13 10.771 9.800 -9.591 1.00 0.00 C ATOM 162 O MET A 13 11.691 9.719 -10.405 1.00 0.00 O ATOM 163 CB MET A 13 9.384 7.785 -9.067 1.00 0.00 C ATOM 164 CG MET A 13 7.987 7.416 -8.595 1.00 0.00 C ATOM 165 SD MET A 13 7.359 8.543 -7.335 1.00 0.00 S ATOM 166 CE MET A 13 8.464 8.177 -5.973 1.00 0.00 C ATOM 0 H MET A 13 10.105 8.774 -11.805 1.00 0.00 H new ATOM 0 HA MET A 13 8.637 9.754 -9.498 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.769 6.984 -9.698 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.044 7.855 -8.202 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.308 7.416 -9.448 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.999 6.402 -8.196 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.934 8.306 -5.029 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.814 7.148 -6.055 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.317 8.854 -6.005 1.00 0.00 H new ATOM 176 N LYS A 14 10.869 10.487 -8.458 1.00 0.00 N ATOM 177 CA LYS A 14 12.088 11.199 -8.097 1.00 0.00 C ATOM 178 C LYS A 14 12.603 10.741 -6.735 1.00 0.00 C ATOM 179 O LYS A 14 13.805 10.772 -6.472 1.00 0.00 O ATOM 180 CB LYS A 14 11.836 12.708 -8.077 1.00 0.00 C ATOM 181 CG LYS A 14 11.405 13.270 -9.421 1.00 0.00 C ATOM 182 CD LYS A 14 10.625 14.564 -9.260 1.00 0.00 C ATOM 183 CE LYS A 14 11.552 15.756 -9.082 1.00 0.00 C ATOM 184 NZ LYS A 14 10.915 16.841 -8.287 1.00 0.00 N ATOM 0 H LYS A 14 10.117 10.565 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 14 12.846 10.974 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.068 12.930 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.745 13.216 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.284 13.449 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.791 12.536 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.994 14.720 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.962 14.486 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.468 15.433 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.838 16.143 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.579 17.635 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.055 17.167 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.665 16.480 -7.344 1.00 0.00 H new ATOM 198 N THR A 15 11.684 10.316 -5.873 1.00 0.00 N ATOM 199 CA THR A 15 12.045 9.852 -4.540 1.00 0.00 C ATOM 200 C THR A 15 12.584 8.426 -4.581 1.00 0.00 C ATOM 201 O THR A 15 11.822 7.466 -4.708 1.00 0.00 O ATOM 202 CB THR A 15 10.840 9.906 -3.581 1.00 0.00 C ATOM 203 OG1 THR A 15 10.266 11.217 -3.589 1.00 0.00 O ATOM 204 CG2 THR A 15 11.258 9.538 -2.165 1.00 0.00 C ATOM 0 H THR A 15 10.685 10.284 -6.075 1.00 0.00 H new ATOM 0 HA THR A 15 12.823 10.521 -4.172 1.00 0.00 H new ATOM 0 HB THR A 15 10.099 9.184 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.500 11.242 -2.978 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.391 9.583 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.667 8.528 -2.157 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.016 10.239 -1.816 1.00 0.00 H new ATOM 212 N THR A 16 13.902 8.293 -4.472 1.00 0.00 N ATOM 213 CA THR A 16 14.543 6.985 -4.497 1.00 0.00 C ATOM 214 C THR A 16 15.240 6.688 -3.174 1.00 0.00 C ATOM 215 O THR A 16 15.752 7.593 -2.515 1.00 0.00 O ATOM 216 CB THR A 16 15.571 6.884 -5.640 1.00 0.00 C ATOM 217 OG1 THR A 16 16.591 7.875 -5.470 1.00 0.00 O ATOM 218 CG2 THR A 16 14.898 7.069 -6.991 1.00 0.00 C ATOM 0 H THR A 16 14.547 9.076 -4.365 1.00 0.00 H new ATOM 0 HA THR A 16 13.755 6.251 -4.662 1.00 0.00 H new ATOM 0 HB THR A 16 16.020 5.891 -5.609 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.242 7.803 -6.199 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.644 6.994 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.142 6.296 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.425 8.050 -7.031 1.00 0.00 H new ATOM 226 N SER A 17 15.255 5.415 -2.791 1.00 0.00 N ATOM 227 CA SER A 17 15.887 5.000 -1.544 1.00 0.00 C ATOM 228 C SER A 17 16.769 3.774 -1.764 1.00 0.00 C ATOM 229 O SER A 17 16.435 2.889 -2.551 1.00 0.00 O ATOM 230 CB SER A 17 14.825 4.695 -0.487 1.00 0.00 C ATOM 231 OG SER A 17 15.376 4.746 0.818 1.00 0.00 O ATOM 0 H SER A 17 14.837 4.654 -3.326 1.00 0.00 H new ATOM 0 HA SER A 17 16.514 5.819 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.009 5.413 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.400 3.708 -0.668 1.00 0.00 H new ATOM 0 HG SER A 17 14.677 4.549 1.476 1.00 0.00 H new ATOM 237 N SER A 18 17.897 3.731 -1.062 1.00 0.00 N ATOM 238 CA SER A 18 18.829 2.616 -1.182 1.00 0.00 C ATOM 239 C SER A 18 18.510 1.529 -0.161 1.00 0.00 C ATOM 240 O SER A 18 18.392 0.353 -0.506 1.00 0.00 O ATOM 241 CB SER A 18 20.267 3.104 -0.993 1.00 0.00 C ATOM 242 OG SER A 18 20.500 4.299 -1.718 1.00 0.00 O ATOM 0 H SER A 18 18.187 4.455 -0.405 1.00 0.00 H new ATOM 0 HA SER A 18 18.725 2.193 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.460 3.274 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.962 2.333 -1.324 1.00 0.00 H new ATOM 0 HG SER A 18 21.425 4.591 -1.579 1.00 0.00 H new ATOM 248 N MET A 19 18.373 1.930 1.098 1.00 0.00 N ATOM 249 CA MET A 19 18.066 0.990 2.171 1.00 0.00 C ATOM 250 C MET A 19 17.100 -0.087 1.689 1.00 0.00 C ATOM 251 O MET A 19 16.170 0.193 0.933 1.00 0.00 O ATOM 252 CB MET A 19 17.469 1.729 3.370 1.00 0.00 C ATOM 253 CG MET A 19 16.206 2.506 3.036 1.00 0.00 C ATOM 254 SD MET A 19 15.630 3.519 4.413 1.00 0.00 S ATOM 255 CE MET A 19 14.442 2.415 5.172 1.00 0.00 C ATOM 0 H MET A 19 18.470 2.899 1.401 1.00 0.00 H new ATOM 0 HA MET A 19 18.995 0.509 2.477 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.245 1.008 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.214 2.417 3.771 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.395 3.145 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.419 1.808 2.749 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.664 3.000 5.662 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.993 1.782 4.407 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.946 1.790 5.910 1.00 0.00 H new ATOM 265 N ASP A 20 17.328 -1.319 2.131 1.00 0.00 N ATOM 266 CA ASP A 20 16.477 -2.439 1.746 1.00 0.00 C ATOM 267 C ASP A 20 15.005 -2.038 1.774 1.00 0.00 C ATOM 268 O ASP A 20 14.588 -1.168 2.539 1.00 0.00 O ATOM 269 CB ASP A 20 16.712 -3.630 2.677 1.00 0.00 C ATOM 270 CG ASP A 20 17.902 -4.469 2.254 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.047 -4.724 1.040 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.687 -4.870 3.137 1.00 0.00 O ATOM 0 H ASP A 20 18.095 -1.567 2.756 1.00 0.00 H new ATOM 0 HA ASP A 20 16.737 -2.727 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.869 -3.268 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.819 -4.255 2.696 1.00 0.00 H new ATOM 277 N PRO A 21 14.198 -2.686 0.920 1.00 0.00 N ATOM 278 CA PRO A 21 12.761 -2.413 0.828 1.00 0.00 C ATOM 279 C PRO A 21 12.000 -2.889 2.061 1.00 0.00 C ATOM 280 O PRO A 21 11.071 -2.227 2.522 1.00 0.00 O ATOM 281 CB PRO A 21 12.328 -3.207 -0.407 1.00 0.00 C ATOM 282 CG PRO A 21 13.329 -4.304 -0.522 1.00 0.00 C ATOM 283 CD PRO A 21 14.627 -3.734 -0.020 1.00 0.00 C ATOM 0 HA PRO A 21 12.552 -1.345 0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.319 -3.602 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.323 -2.580 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.029 -5.170 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.424 -4.639 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.235 -4.492 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.227 -3.324 -0.833 1.00 0.00 H new ATOM 291 N SER A 22 12.401 -4.040 2.590 1.00 0.00 N ATOM 292 CA SER A 22 11.755 -4.606 3.768 1.00 0.00 C ATOM 293 C SER A 22 11.573 -3.546 4.850 1.00 0.00 C ATOM 294 O SER A 22 10.728 -3.685 5.735 1.00 0.00 O ATOM 295 CB SER A 22 12.577 -5.775 4.316 1.00 0.00 C ATOM 296 OG SER A 22 12.250 -6.984 3.652 1.00 0.00 O ATOM 0 H SER A 22 13.170 -4.599 2.221 1.00 0.00 H new ATOM 0 HA SER A 22 10.771 -4.971 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.640 -5.565 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.394 -5.883 5.385 1.00 0.00 H new ATOM 0 HG SER A 22 12.790 -7.715 4.019 1.00 0.00 H new ATOM 302 N ASP A 23 12.372 -2.488 4.773 1.00 0.00 N ATOM 303 CA ASP A 23 12.300 -1.403 5.744 1.00 0.00 C ATOM 304 C ASP A 23 11.323 -0.326 5.284 1.00 0.00 C ATOM 305 O ASP A 23 10.536 0.191 6.076 1.00 0.00 O ATOM 306 CB ASP A 23 13.685 -0.792 5.962 1.00 0.00 C ATOM 307 CG ASP A 23 14.655 -1.769 6.599 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.423 -2.161 7.762 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.645 -2.140 5.935 1.00 0.00 O ATOM 0 H ASP A 23 13.077 -2.359 4.048 1.00 0.00 H new ATOM 0 HA ASP A 23 11.941 -1.816 6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.086 -0.458 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.594 0.090 6.595 1.00 0.00 H new ATOM 314 N MET A 24 11.380 0.008 3.999 1.00 0.00 N ATOM 315 CA MET A 24 10.499 1.024 3.433 1.00 0.00 C ATOM 316 C MET A 24 9.060 0.812 3.892 1.00 0.00 C ATOM 317 O MET A 24 8.396 1.749 4.336 1.00 0.00 O ATOM 318 CB MET A 24 10.569 0.996 1.905 1.00 0.00 C ATOM 319 CG MET A 24 11.641 1.907 1.329 1.00 0.00 C ATOM 320 SD MET A 24 11.884 1.661 -0.440 1.00 0.00 S ATOM 321 CE MET A 24 10.643 2.768 -1.108 1.00 0.00 C ATOM 0 H MET A 24 12.027 -0.410 3.330 1.00 0.00 H new ATOM 0 HA MET A 24 10.835 1.999 3.787 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.758 -0.026 1.577 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.600 1.287 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.367 2.946 1.513 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.582 1.729 1.849 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.089 2.260 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.956 3.065 -0.316 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.128 3.654 -1.518 1.00 0.00 H new ATOM 331 N MET A 25 8.584 -0.424 3.782 1.00 0.00 N ATOM 332 CA MET A 25 7.224 -0.758 4.187 1.00 0.00 C ATOM 333 C MET A 25 6.929 -0.233 5.589 1.00 0.00 C ATOM 334 O MET A 25 5.797 0.137 5.898 1.00 0.00 O ATOM 335 CB MET A 25 7.012 -2.272 4.143 1.00 0.00 C ATOM 336 CG MET A 25 6.555 -2.782 2.785 1.00 0.00 C ATOM 337 SD MET A 25 5.002 -2.039 2.251 1.00 0.00 S ATOM 338 CE MET A 25 3.818 -3.171 2.977 1.00 0.00 C ATOM 0 H MET A 25 9.120 -1.211 3.416 1.00 0.00 H new ATOM 0 HA MET A 25 6.537 -0.282 3.487 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.943 -2.769 4.414 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.272 -2.549 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.327 -2.573 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.439 -3.865 2.828 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.010 -3.355 2.269 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.313 -4.112 3.215 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.410 -2.735 3.889 1.00 0.00 H new ATOM 348 N ARG A 26 7.956 -0.204 6.433 1.00 0.00 N ATOM 349 CA ARG A 26 7.806 0.274 7.802 1.00 0.00 C ATOM 350 C ARG A 26 7.667 1.794 7.835 1.00 0.00 C ATOM 351 O ARG A 26 6.673 2.324 8.329 1.00 0.00 O ATOM 352 CB ARG A 26 9.004 -0.157 8.649 1.00 0.00 C ATOM 353 CG ARG A 26 8.833 0.123 10.133 1.00 0.00 C ATOM 354 CD ARG A 26 9.619 -0.865 10.981 1.00 0.00 C ATOM 355 NE ARG A 26 9.127 -0.920 12.355 1.00 0.00 N ATOM 356 CZ ARG A 26 9.335 -1.948 13.170 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.022 -3.002 12.751 1.00 0.00 N ATOM 358 NH2 ARG A 26 8.855 -1.924 14.407 1.00 0.00 N ATOM 0 H ARG A 26 8.900 -0.506 6.193 1.00 0.00 H new ATOM 0 HA ARG A 26 6.899 -0.166 8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.174 -1.224 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.895 0.358 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.165 1.138 10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.776 0.069 10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.556 -1.857 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.672 -0.583 10.984 1.00 0.00 H new ATOM 0 HE ARG A 26 8.594 -0.125 12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.392 -3.025 11.801 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.180 -3.790 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.326 -1.115 14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.015 -2.714 15.032 1.00 0.00 H new ATOM 372 N GLU A 27 8.671 2.486 7.306 1.00 0.00 N ATOM 373 CA GLU A 27 8.660 3.944 7.277 1.00 0.00 C ATOM 374 C GLU A 27 7.391 4.466 6.608 1.00 0.00 C ATOM 375 O GLU A 27 6.686 5.309 7.163 1.00 0.00 O ATOM 376 CB GLU A 27 9.892 4.471 6.538 1.00 0.00 C ATOM 377 CG GLU A 27 9.891 5.979 6.350 1.00 0.00 C ATOM 378 CD GLU A 27 10.021 6.731 7.660 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.158 6.856 8.161 1.00 0.00 O ATOM 380 OE2 GLU A 27 8.987 7.193 8.185 1.00 0.00 O ATOM 0 H GLU A 27 9.501 2.061 6.892 1.00 0.00 H new ATOM 0 HA GLU A 27 8.681 4.302 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.787 4.183 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.952 3.992 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.713 6.260 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.968 6.279 5.854 1.00 0.00 H new ATOM 387 N ILE A 28 7.109 3.958 5.412 1.00 0.00 N ATOM 388 CA ILE A 28 5.926 4.372 4.668 1.00 0.00 C ATOM 389 C ILE A 28 4.713 4.491 5.585 1.00 0.00 C ATOM 390 O ILE A 28 4.082 5.545 5.662 1.00 0.00 O ATOM 391 CB ILE A 28 5.602 3.384 3.532 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.704 3.414 2.471 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.252 3.714 2.912 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.587 2.305 1.448 1.00 0.00 C ATOM 0 H ILE A 28 7.683 3.260 4.939 1.00 0.00 H new ATOM 0 HA ILE A 28 6.149 5.348 4.237 1.00 0.00 H new ATOM 0 HB ILE A 28 5.552 2.378 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.677 4.375 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.674 3.342 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.037 3.007 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.475 3.646 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.275 4.726 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.400 2.388 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.644 1.339 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.632 2.388 0.929 1.00 0.00 H new ATOM 406 N ARG A 29 4.394 3.404 6.279 1.00 0.00 N ATOM 407 CA ARG A 29 3.258 3.386 7.192 1.00 0.00 C ATOM 408 C ARG A 29 3.488 4.333 8.366 1.00 0.00 C ATOM 409 O ARG A 29 2.601 5.100 8.743 1.00 0.00 O ATOM 410 CB ARG A 29 3.013 1.967 7.708 1.00 0.00 C ATOM 411 CG ARG A 29 2.402 1.039 6.671 1.00 0.00 C ATOM 412 CD ARG A 29 2.512 -0.418 7.093 1.00 0.00 C ATOM 413 NE ARG A 29 1.803 -0.681 8.343 1.00 0.00 N ATOM 414 CZ ARG A 29 1.780 -1.867 8.939 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.425 -2.895 8.404 1.00 0.00 N ATOM 416 NH2 ARG A 29 1.113 -2.028 10.075 1.00 0.00 N ATOM 0 H ARG A 29 4.907 2.524 6.226 1.00 0.00 H new ATOM 0 HA ARG A 29 2.378 3.723 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.959 1.545 8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.354 2.013 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.354 1.298 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.904 1.181 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.108 -1.055 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.563 -0.683 7.210 1.00 0.00 H new ATOM 0 HE ARG A 29 1.298 0.089 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.941 -2.776 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.405 -3.805 8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.617 -1.240 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.096 -2.940 10.532 1.00 0.00 H new ATOM 430 N LYS A 30 4.685 4.275 8.940 1.00 0.00 N ATOM 431 CA LYS A 30 5.034 5.127 10.071 1.00 0.00 C ATOM 432 C LYS A 30 4.588 6.565 9.826 1.00 0.00 C ATOM 433 O LYS A 30 4.104 7.238 10.736 1.00 0.00 O ATOM 434 CB LYS A 30 6.543 5.084 10.321 1.00 0.00 C ATOM 435 CG LYS A 30 6.937 5.479 11.734 1.00 0.00 C ATOM 436 CD LYS A 30 8.320 6.107 11.772 1.00 0.00 C ATOM 437 CE LYS A 30 9.016 5.841 13.098 1.00 0.00 C ATOM 438 NZ LYS A 30 10.443 6.265 13.070 1.00 0.00 N ATOM 0 H LYS A 30 5.430 3.646 8.640 1.00 0.00 H new ATOM 0 HA LYS A 30 4.516 4.750 10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.908 4.077 10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.039 5.750 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.206 6.182 12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.918 4.599 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.924 5.709 10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.237 7.182 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.495 6.372 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.957 4.778 13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.882 6.067 13.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.947 5.740 12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.498 7.284 12.872 1.00 0.00 H new ATOM 452 N VAL A 31 4.754 7.029 8.592 1.00 0.00 N ATOM 453 CA VAL A 31 4.367 8.387 8.227 1.00 0.00 C ATOM 454 C VAL A 31 2.853 8.509 8.092 1.00 0.00 C ATOM 455 O VAL A 31 2.228 9.354 8.734 1.00 0.00 O ATOM 456 CB VAL A 31 5.026 8.823 6.905 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.622 10.245 6.551 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.539 8.697 6.998 1.00 0.00 C ATOM 0 H VAL A 31 5.154 6.485 7.828 1.00 0.00 H new ATOM 0 HA VAL A 31 4.712 9.040 9.028 1.00 0.00 H new ATOM 0 HB VAL A 31 4.677 8.164 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.097 10.536 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.539 10.299 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.940 10.922 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.989 9.009 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.908 9.331 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.806 7.660 7.202 1.00 0.00 H new ATOM 468 N LEU A 32 2.270 7.659 7.254 1.00 0.00 N ATOM 469 CA LEU A 32 0.828 7.671 7.034 1.00 0.00 C ATOM 470 C LEU A 32 0.082 7.975 8.329 1.00 0.00 C ATOM 471 O LEU A 32 -0.558 9.017 8.459 1.00 0.00 O ATOM 472 CB LEU A 32 0.367 6.325 6.471 1.00 0.00 C ATOM 473 CG LEU A 32 0.903 5.958 5.086 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.738 4.469 4.827 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.198 6.770 4.009 1.00 0.00 C ATOM 0 H LEU A 32 2.773 6.953 6.716 1.00 0.00 H new ATOM 0 HA LEU A 32 0.602 8.457 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.659 5.542 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.722 6.325 6.429 1.00 0.00 H new ATOM 0 HG LEU A 32 1.966 6.195 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.125 4.227 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.289 3.905 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.318 4.206 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.592 6.496 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.872 6.564 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.368 7.832 4.184 1.00 0.00 H new ATOM 487 N GLY A 33 0.170 7.056 9.287 1.00 0.00 N ATOM 488 CA GLY A 33 -0.499 7.246 10.560 1.00 0.00 C ATOM 489 C GLY A 33 -0.518 8.698 10.995 1.00 0.00 C ATOM 490 O GLY A 33 -1.499 9.167 11.571 1.00 0.00 O ATOM 0 H GLY A 33 0.693 6.184 9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.523 6.879 10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.001 6.648 11.322 1.00 0.00 H new ATOM 494 N ALA A 34 0.569 9.411 10.720 1.00 0.00 N ATOM 495 CA ALA A 34 0.673 10.818 11.087 1.00 0.00 C ATOM 496 C ALA A 34 -0.366 11.655 10.348 1.00 0.00 C ATOM 497 O ALA A 34 -1.061 12.471 10.952 1.00 0.00 O ATOM 498 CB ALA A 34 2.074 11.336 10.798 1.00 0.00 C ATOM 0 H ALA A 34 1.390 9.037 10.244 1.00 0.00 H new ATOM 0 HA ALA A 34 0.479 10.906 12.156 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.138 12.388 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.800 10.763 11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.289 11.229 9.735 1.00 0.00 H new ATOM 504 N ASN A 35 -0.464 11.448 9.039 1.00 0.00 N ATOM 505 CA ASN A 35 -1.417 12.186 8.218 1.00 0.00 C ATOM 506 C ASN A 35 -2.794 11.531 8.263 1.00 0.00 C ATOM 507 O ASN A 35 -3.509 11.496 7.262 1.00 0.00 O ATOM 508 CB ASN A 35 -0.924 12.264 6.772 1.00 0.00 C ATOM 509 CG ASN A 35 0.298 13.150 6.625 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.479 12.545 6.692 1.00 0.00 O flip ATOM 511 ND2 ASN A 35 0.182 14.363 6.453 1.00 0.00 N flip ATOM 0 H ASN A 35 0.105 10.776 8.524 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.500 13.195 8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.687 11.261 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.724 12.646 6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.745 14.785 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.013 14.946 6.355 1.00 0.00 H new ATOM 518 N ASN A 36 -3.160 11.014 9.431 1.00 0.00 N ATOM 519 CA ASN A 36 -4.452 10.360 9.607 1.00 0.00 C ATOM 520 C ASN A 36 -4.817 9.537 8.376 1.00 0.00 C ATOM 521 O ASN A 36 -5.993 9.388 8.042 1.00 0.00 O ATOM 522 CB ASN A 36 -5.540 11.400 9.880 1.00 0.00 C ATOM 523 CG ASN A 36 -5.649 11.751 11.352 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.931 11.201 12.187 1.00 0.00 O ATOM 525 ND2 ASN A 36 -6.550 12.670 11.676 1.00 0.00 N ATOM 0 H ASN A 36 -2.580 11.035 10.270 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.378 9.688 10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.327 12.303 9.309 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.499 11.019 9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.669 12.947 12.651 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.124 13.100 10.950 1.00 0.00 H new ATOM 532 N CYS A 37 -3.802 9.004 7.705 1.00 0.00 N ATOM 533 CA CYS A 37 -4.015 8.195 6.510 1.00 0.00 C ATOM 534 C CYS A 37 -4.322 6.748 6.880 1.00 0.00 C ATOM 535 O CYS A 37 -3.783 6.218 7.852 1.00 0.00 O ATOM 536 CB CYS A 37 -2.784 8.253 5.604 1.00 0.00 C ATOM 537 SG CYS A 37 -2.548 9.845 4.780 1.00 0.00 S ATOM 0 H CYS A 37 -2.823 9.117 7.968 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.872 8.602 5.973 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.898 8.029 6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.866 7.473 4.847 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.880 10.806 5.590 1.00 0.00 H new ATOM 543 N ASP A 38 -5.191 6.115 6.101 1.00 0.00 N ATOM 544 CA ASP A 38 -5.571 4.729 6.347 1.00 0.00 C ATOM 545 C ASP A 38 -4.891 3.794 5.351 1.00 0.00 C ATOM 546 O ASP A 38 -5.104 3.897 4.143 1.00 0.00 O ATOM 547 CB ASP A 38 -7.090 4.570 6.259 1.00 0.00 C ATOM 548 CG ASP A 38 -7.785 4.920 7.560 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.247 4.571 8.633 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.865 5.543 7.506 1.00 0.00 O ATOM 0 H ASP A 38 -5.646 6.540 5.293 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.243 4.462 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.474 5.208 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.330 3.542 5.988 1.00 0.00 H new ATOM 555 N TYR A 39 -4.072 2.884 5.867 1.00 0.00 N ATOM 556 CA TYR A 39 -3.358 1.933 5.023 1.00 0.00 C ATOM 557 C TYR A 39 -3.923 0.526 5.188 1.00 0.00 C ATOM 558 O TYR A 39 -4.450 0.178 6.244 1.00 0.00 O ATOM 559 CB TYR A 39 -1.867 1.939 5.361 1.00 0.00 C ATOM 560 CG TYR A 39 -1.583 1.958 6.846 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.737 3.124 7.587 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.160 0.812 7.508 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.478 3.147 8.944 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.900 0.826 8.865 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.061 1.995 9.579 1.00 0.00 C ATOM 566 OH TYR A 39 -0.802 2.013 10.930 1.00 0.00 O ATOM 0 H TYR A 39 -3.886 2.785 6.865 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.490 2.238 3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.400 1.058 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.402 2.810 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.065 4.027 7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.032 -0.105 6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.601 4.062 9.505 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.572 -0.074 9.364 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.519 1.121 11.221 1.00 0.00 H new ATOM 576 N GLU A 40 -3.809 -0.279 4.136 1.00 0.00 N ATOM 577 CA GLU A 40 -4.308 -1.648 4.165 1.00 0.00 C ATOM 578 C GLU A 40 -3.342 -2.595 3.459 1.00 0.00 C ATOM 579 O GLU A 40 -2.653 -2.205 2.517 1.00 0.00 O ATOM 580 CB GLU A 40 -5.687 -1.725 3.506 1.00 0.00 C ATOM 581 CG GLU A 40 -6.396 -3.050 3.731 1.00 0.00 C ATOM 582 CD GLU A 40 -7.905 -2.927 3.645 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.386 -2.052 2.895 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.605 -3.704 4.327 1.00 0.00 O ATOM 0 H GLU A 40 -3.376 -0.006 3.254 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.393 -1.954 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.311 -0.919 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.578 -1.558 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.051 -3.772 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.123 -3.442 4.711 1.00 0.00 H new ATOM 591 N GLN A 41 -3.297 -3.840 3.922 1.00 0.00 N ATOM 592 CA GLN A 41 -2.414 -4.841 3.336 1.00 0.00 C ATOM 593 C GLN A 41 -2.977 -5.358 2.017 1.00 0.00 C ATOM 594 O GLN A 41 -3.804 -6.270 1.998 1.00 0.00 O ATOM 595 CB GLN A 41 -2.212 -6.005 4.309 1.00 0.00 C ATOM 596 CG GLN A 41 -0.883 -6.722 4.132 1.00 0.00 C ATOM 597 CD GLN A 41 -0.910 -7.730 3.000 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.923 -8.389 2.765 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.206 -7.856 2.293 1.00 0.00 N ATOM 0 H GLN A 41 -3.861 -4.179 4.701 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.451 -4.369 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.280 -5.630 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.023 -6.722 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.101 -5.987 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.622 -7.231 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.022 -7.289 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.248 -8.520 1.520 1.00 0.00 H new ATOM 608 N ARG A 42 -2.525 -4.769 0.915 1.00 0.00 N ATOM 609 CA ARG A 42 -2.985 -5.169 -0.410 1.00 0.00 C ATOM 610 C ARG A 42 -2.125 -6.301 -0.965 1.00 0.00 C ATOM 611 O ARG A 42 -2.579 -7.438 -1.080 1.00 0.00 O ATOM 612 CB ARG A 42 -2.954 -3.975 -1.365 1.00 0.00 C ATOM 613 CG ARG A 42 -4.234 -3.154 -1.355 1.00 0.00 C ATOM 614 CD ARG A 42 -5.258 -3.707 -2.334 1.00 0.00 C ATOM 615 NE ARG A 42 -6.537 -3.009 -2.240 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.542 -3.197 -3.089 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.415 -4.057 -4.090 1.00 0.00 N ATOM 618 NH2 ARG A 42 -8.675 -2.524 -2.937 1.00 0.00 N ATOM 0 H ARG A 42 -1.840 -4.013 0.913 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.011 -5.526 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.116 -3.330 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.771 -4.335 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.656 -3.148 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.006 -2.119 -1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.872 -3.621 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.409 -4.769 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.666 -2.340 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.545 -4.576 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.187 -4.200 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.775 -1.861 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.446 -2.669 -3.589 1.00 0.00 H new ATOM 632 N GLU A 43 -0.881 -5.979 -1.308 1.00 0.00 N ATOM 633 CA GLU A 43 0.041 -6.968 -1.852 1.00 0.00 C ATOM 634 C GLU A 43 1.249 -7.148 -0.937 1.00 0.00 C ATOM 635 O GLU A 43 1.320 -6.553 0.138 1.00 0.00 O ATOM 636 CB GLU A 43 0.504 -6.552 -3.250 1.00 0.00 C ATOM 637 CG GLU A 43 -0.571 -5.849 -4.063 1.00 0.00 C ATOM 638 CD GLU A 43 -1.558 -6.817 -4.686 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.109 -7.808 -5.300 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.778 -6.584 -4.561 1.00 0.00 O ATOM 0 H GLU A 43 -0.490 -5.041 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.486 -7.919 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.367 -5.892 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.837 -7.437 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.108 -5.151 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.099 -5.260 -4.850 1.00 0.00 H new ATOM 647 N ARG A 44 2.195 -7.973 -1.372 1.00 0.00 N ATOM 648 CA ARG A 44 3.399 -8.234 -0.592 1.00 0.00 C ATOM 649 C ARG A 44 3.997 -6.932 -0.064 1.00 0.00 C ATOM 650 O ARG A 44 4.170 -6.761 1.143 1.00 0.00 O ATOM 651 CB ARG A 44 4.433 -8.974 -1.442 1.00 0.00 C ATOM 652 CG ARG A 44 4.208 -10.476 -1.504 1.00 0.00 C ATOM 653 CD ARG A 44 4.841 -11.184 -0.316 1.00 0.00 C ATOM 654 NE ARG A 44 4.649 -12.630 -0.374 1.00 0.00 N ATOM 655 CZ ARG A 44 4.779 -13.432 0.677 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.098 -12.931 1.862 1.00 0.00 N ATOM 657 NH2 ARG A 44 4.588 -14.738 0.544 1.00 0.00 N ATOM 0 H ARG A 44 2.151 -8.472 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 44 3.123 -8.859 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.415 -8.570 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.427 -8.780 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.138 -10.684 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.628 -10.870 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.908 -10.961 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.410 -10.798 0.608 1.00 0.00 H new ATOM 0 HE ARG A 44 4.401 -13.048 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.244 -11.927 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.197 -13.549 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.341 -15.127 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.688 -15.353 1.352 1.00 0.00 H new ATOM 671 N PHE A 45 4.310 -6.019 -0.977 1.00 0.00 N ATOM 672 CA PHE A 45 4.890 -4.733 -0.604 1.00 0.00 C ATOM 673 C PHE A 45 4.016 -3.581 -1.090 1.00 0.00 C ATOM 674 O PHE A 45 4.508 -2.483 -1.355 1.00 0.00 O ATOM 675 CB PHE A 45 6.300 -4.599 -1.183 1.00 0.00 C ATOM 676 CG PHE A 45 7.298 -5.528 -0.552 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.423 -6.835 -0.993 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.111 -5.093 0.483 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.341 -7.692 -0.415 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.030 -5.945 1.064 1.00 0.00 C ATOM 681 CZ PHE A 45 9.145 -7.247 0.616 1.00 0.00 C ATOM 0 H PHE A 45 4.172 -6.145 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 45 4.946 -4.689 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.264 -4.792 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.641 -3.572 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.796 -7.189 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.025 -4.077 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.429 -8.708 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.659 -5.593 1.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.862 -7.915 1.071 1.00 0.00 H new ATOM 691 N LEU A 46 2.718 -3.839 -1.206 1.00 0.00 N ATOM 692 CA LEU A 46 1.775 -2.824 -1.661 1.00 0.00 C ATOM 693 C LEU A 46 0.669 -2.608 -0.633 1.00 0.00 C ATOM 694 O LEU A 46 0.087 -3.566 -0.121 1.00 0.00 O ATOM 695 CB LEU A 46 1.166 -3.231 -3.004 1.00 0.00 C ATOM 696 CG LEU A 46 0.336 -2.163 -3.717 1.00 0.00 C ATOM 697 CD1 LEU A 46 1.080 -0.837 -3.742 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.010 -2.610 -5.130 1.00 0.00 C ATOM 0 H LEU A 46 2.295 -4.742 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 46 2.319 -1.887 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.974 -3.538 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.535 -4.106 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.593 -2.024 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.474 -0.089 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.275 -0.510 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.026 -0.960 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.601 -1.837 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.908 -2.779 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.585 -3.535 -5.088 1.00 0.00 H new ATOM 710 N LEU A 47 0.382 -1.346 -0.336 1.00 0.00 N ATOM 711 CA LEU A 47 -0.656 -1.004 0.630 1.00 0.00 C ATOM 712 C LEU A 47 -1.737 -0.141 -0.015 1.00 0.00 C ATOM 713 O LEU A 47 -1.550 0.392 -1.109 1.00 0.00 O ATOM 714 CB LEU A 47 -0.047 -0.269 1.825 1.00 0.00 C ATOM 715 CG LEU A 47 0.994 -1.047 2.631 1.00 0.00 C ATOM 716 CD1 LEU A 47 1.945 -0.092 3.336 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.314 -1.965 3.636 1.00 0.00 C ATOM 0 H LEU A 47 0.854 -0.542 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.114 -1.930 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.415 0.650 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.854 0.022 2.497 1.00 0.00 H new ATOM 0 HG LEU A 47 1.573 -1.662 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.679 -0.663 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.458 0.523 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.381 0.550 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.070 -2.510 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.291 -1.370 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.325 -2.673 3.108 1.00 0.00 H new ATOM 729 N PHE A 48 -2.867 -0.006 0.672 1.00 0.00 N ATOM 730 CA PHE A 48 -3.977 0.793 0.167 1.00 0.00 C ATOM 731 C PHE A 48 -4.202 2.024 1.040 1.00 0.00 C ATOM 732 O PHE A 48 -4.910 1.964 2.046 1.00 0.00 O ATOM 733 CB PHE A 48 -5.254 -0.047 0.111 1.00 0.00 C ATOM 734 CG PHE A 48 -6.274 0.476 -0.859 1.00 0.00 C ATOM 735 CD1 PHE A 48 -7.215 1.411 -0.459 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.293 0.031 -2.171 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.155 1.895 -1.350 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.231 0.511 -3.066 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.163 1.444 -2.655 1.00 0.00 C ATOM 0 H PHE A 48 -3.038 -0.440 1.579 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.725 1.125 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.995 -1.070 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.697 -0.086 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.214 1.766 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.567 -0.699 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.882 2.625 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.235 0.157 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.896 1.820 -3.353 1.00 0.00 H new ATOM 749 N CYS A 49 -3.595 3.139 0.648 1.00 0.00 N ATOM 750 CA CYS A 49 -3.727 4.385 1.395 1.00 0.00 C ATOM 751 C CYS A 49 -5.085 5.030 1.139 1.00 0.00 C ATOM 752 O CYS A 49 -5.646 4.911 0.050 1.00 0.00 O ATOM 753 CB CYS A 49 -2.608 5.354 1.013 1.00 0.00 C ATOM 754 SG CYS A 49 -0.956 4.618 1.033 1.00 0.00 S ATOM 0 H CYS A 49 -3.007 3.206 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.649 4.153 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.807 5.747 0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.625 6.201 1.699 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.124 5.403 0.416 1.00 0.00 H new ATOM 760 N VAL A 50 -5.610 5.715 2.151 1.00 0.00 N ATOM 761 CA VAL A 50 -6.902 6.379 2.036 1.00 0.00 C ATOM 762 C VAL A 50 -6.932 7.668 2.850 1.00 0.00 C ATOM 763 O VAL A 50 -6.561 7.682 4.024 1.00 0.00 O ATOM 764 CB VAL A 50 -8.048 5.463 2.504 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.308 6.274 2.766 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.310 4.371 1.478 1.00 0.00 C ATOM 0 H VAL A 50 -5.159 5.824 3.060 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.043 6.615 0.981 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.751 4.988 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.107 5.609 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.109 7.015 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.612 6.780 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.123 3.733 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.586 4.825 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.409 3.772 1.347 1.00 0.00 H new ATOM 776 N HIS A 51 -7.375 8.750 2.219 1.00 0.00 N ATOM 777 CA HIS A 51 -7.455 10.045 2.885 1.00 0.00 C ATOM 778 C HIS A 51 -8.633 10.857 2.356 1.00 0.00 C ATOM 779 O HIS A 51 -8.929 10.836 1.162 1.00 0.00 O ATOM 780 CB HIS A 51 -6.154 10.825 2.687 1.00 0.00 C ATOM 781 CG HIS A 51 -5.947 11.910 3.699 1.00 0.00 C ATOM 782 ND1 HIS A 51 -6.374 13.207 3.509 1.00 0.00 N ATOM 783 CD2 HIS A 51 -5.354 11.884 4.915 1.00 0.00 C ATOM 784 CE1 HIS A 51 -6.052 13.933 4.565 1.00 0.00 C ATOM 785 NE2 HIS A 51 -5.432 13.154 5.433 1.00 0.00 N ATOM 0 H HIS A 51 -7.684 8.756 1.247 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.607 9.869 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.314 10.132 2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.151 11.264 1.689 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.862 13.552 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.903 11.025 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.260 14.985 4.696 1.00 0.00 H new ATOM 794 N GLY A 52 -9.304 11.572 3.254 1.00 0.00 N ATOM 795 CA GLY A 52 -10.443 12.380 2.859 1.00 0.00 C ATOM 796 C GLY A 52 -10.059 13.813 2.550 1.00 0.00 C ATOM 797 O GLY A 52 -10.501 14.380 1.552 1.00 0.00 O ATOM 0 H GLY A 52 -9.079 11.606 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.913 11.936 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.185 12.370 3.657 1.00 0.00 H new ATOM 801 N ASP A 53 -9.234 14.400 3.410 1.00 0.00 N ATOM 802 CA ASP A 53 -8.790 15.777 3.225 1.00 0.00 C ATOM 803 C ASP A 53 -9.920 16.643 2.678 1.00 0.00 C ATOM 804 O ASP A 53 -9.685 17.581 1.917 1.00 0.00 O ATOM 805 CB ASP A 53 -7.590 15.826 2.278 1.00 0.00 C ATOM 806 CG ASP A 53 -7.809 15.003 1.023 1.00 0.00 C ATOM 807 OD1 ASP A 53 -8.330 15.558 0.033 1.00 0.00 O ATOM 808 OD2 ASP A 53 -7.458 13.805 1.032 1.00 0.00 O ATOM 0 H ASP A 53 -8.859 13.944 4.242 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.492 16.170 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.392 16.861 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.705 15.461 2.799 1.00 0.00 H new ATOM 813 N GLY A 54 -11.149 16.322 3.072 1.00 0.00 N ATOM 814 CA GLY A 54 -12.297 17.080 2.611 1.00 0.00 C ATOM 815 C GLY A 54 -13.599 16.322 2.783 1.00 0.00 C ATOM 816 O GLY A 54 -13.915 15.857 3.878 1.00 0.00 O ATOM 0 H GLY A 54 -11.370 15.551 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.352 18.020 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.163 17.332 1.559 1.00 0.00 H new ATOM 820 N HIS A 55 -14.357 16.198 1.698 1.00 0.00 N ATOM 821 CA HIS A 55 -15.633 15.492 1.734 1.00 0.00 C ATOM 822 C HIS A 55 -15.446 14.015 1.399 1.00 0.00 C ATOM 823 O HIS A 55 -14.373 13.598 0.966 1.00 0.00 O ATOM 824 CB HIS A 55 -16.620 16.128 0.754 1.00 0.00 C ATOM 825 CG HIS A 55 -17.140 17.458 1.206 1.00 0.00 C ATOM 826 ND1 HIS A 55 -18.287 17.602 1.957 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.661 18.709 1.010 1.00 0.00 C ATOM 828 CE1 HIS A 55 -18.492 18.883 2.203 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.520 19.577 1.639 1.00 0.00 N ATOM 0 H HIS A 55 -14.110 16.577 0.784 1.00 0.00 H new ATOM 0 HA HIS A 55 -16.035 15.570 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.133 16.247 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.460 15.450 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.770 18.975 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -19.315 19.294 2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.423 20.592 1.666 1.00 0.00 H new ATOM 838 N ALA A 56 -16.498 13.230 1.604 1.00 0.00 N ATOM 839 CA ALA A 56 -16.450 11.800 1.324 1.00 0.00 C ATOM 840 C ALA A 56 -16.395 11.537 -0.178 1.00 0.00 C ATOM 841 O ALA A 56 -15.514 10.826 -0.660 1.00 0.00 O ATOM 842 CB ALA A 56 -17.652 11.100 1.940 1.00 0.00 C ATOM 0 H ALA A 56 -17.394 13.560 1.963 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.541 11.398 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.603 10.033 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.647 11.251 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.569 11.514 1.520 1.00 0.00 H new ATOM 848 N GLU A 57 -17.342 12.115 -0.910 1.00 0.00 N ATOM 849 CA GLU A 57 -17.401 11.941 -2.357 1.00 0.00 C ATOM 850 C GLU A 57 -16.113 12.425 -3.016 1.00 0.00 C ATOM 851 O GLU A 57 -15.870 12.165 -4.193 1.00 0.00 O ATOM 852 CB GLU A 57 -18.599 12.697 -2.936 1.00 0.00 C ATOM 853 CG GLU A 57 -19.939 12.202 -2.418 1.00 0.00 C ATOM 854 CD GLU A 57 -20.435 10.977 -3.160 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.892 11.125 -4.312 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.366 9.869 -2.588 1.00 0.00 O ATOM 0 H GLU A 57 -18.078 12.707 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.517 10.877 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.497 13.757 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.584 12.608 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.850 11.968 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -20.676 13.000 -2.508 1.00 0.00 H new ATOM 863 N ASN A 58 -15.291 13.132 -2.247 1.00 0.00 N ATOM 864 CA ASN A 58 -14.028 13.655 -2.755 1.00 0.00 C ATOM 865 C ASN A 58 -12.844 12.978 -2.071 1.00 0.00 C ATOM 866 O ASN A 58 -11.771 13.567 -1.937 1.00 0.00 O ATOM 867 CB ASN A 58 -13.957 15.168 -2.544 1.00 0.00 C ATOM 868 CG ASN A 58 -14.867 15.928 -3.490 1.00 0.00 C ATOM 869 OD1 ASN A 58 -16.170 15.699 -3.368 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.405 16.711 -4.320 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.477 13.356 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.978 13.441 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.231 15.402 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.930 15.504 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.397 16.856 -4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.030 17.215 -4.949 1.00 0.00 H new ATOM 877 N LEU A 59 -13.047 11.738 -1.640 1.00 0.00 N ATOM 878 CA LEU A 59 -11.997 10.980 -0.969 1.00 0.00 C ATOM 879 C LEU A 59 -10.936 10.522 -1.965 1.00 0.00 C ATOM 880 O LEU A 59 -11.240 10.223 -3.119 1.00 0.00 O ATOM 881 CB LEU A 59 -12.594 9.769 -0.250 1.00 0.00 C ATOM 882 CG LEU A 59 -11.625 8.949 0.602 1.00 0.00 C ATOM 883 CD1 LEU A 59 -12.355 8.304 1.770 1.00 0.00 C ATOM 884 CD2 LEU A 59 -10.933 7.891 -0.246 1.00 0.00 C ATOM 0 H LEU A 59 -13.929 11.236 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.524 11.633 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.405 10.115 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.037 9.110 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.865 9.621 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.649 7.725 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.803 9.079 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.137 7.645 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.247 7.317 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.680 7.223 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.376 8.375 -1.048 1.00 0.00 H new ATOM 896 N VAL A 60 -9.688 10.467 -1.509 1.00 0.00 N ATOM 897 CA VAL A 60 -8.582 10.043 -2.358 1.00 0.00 C ATOM 898 C VAL A 60 -8.102 8.646 -1.978 1.00 0.00 C ATOM 899 O VAL A 60 -8.013 8.310 -0.798 1.00 0.00 O ATOM 900 CB VAL A 60 -7.397 11.022 -2.268 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.246 10.551 -3.144 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.835 12.425 -2.660 1.00 0.00 C ATOM 0 H VAL A 60 -9.418 10.711 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.956 10.031 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.049 11.049 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.418 11.256 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.916 9.566 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.578 10.493 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.985 13.104 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.210 12.416 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.624 12.761 -1.987 1.00 0.00 H new ATOM 912 N GLN A 61 -7.795 7.837 -2.987 1.00 0.00 N ATOM 913 CA GLN A 61 -7.324 6.476 -2.758 1.00 0.00 C ATOM 914 C GLN A 61 -6.153 6.143 -3.677 1.00 0.00 C ATOM 915 O GLN A 61 -6.287 6.163 -4.901 1.00 0.00 O ATOM 916 CB GLN A 61 -8.461 5.477 -2.979 1.00 0.00 C ATOM 917 CG GLN A 61 -9.714 5.796 -2.181 1.00 0.00 C ATOM 918 CD GLN A 61 -10.591 4.579 -1.959 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.901 3.844 -2.897 1.00 0.00 O ATOM 920 NE2 GLN A 61 -10.995 4.359 -0.714 1.00 0.00 N ATOM 0 H GLN A 61 -7.864 8.100 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.983 6.405 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.712 5.453 -4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.114 4.479 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.429 6.214 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.287 6.562 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.714 4.994 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.586 3.555 -0.504 1.00 0.00 H new ATOM 929 N TRP A 62 -5.007 5.839 -3.080 1.00 0.00 N ATOM 930 CA TRP A 62 -3.812 5.502 -3.846 1.00 0.00 C ATOM 931 C TRP A 62 -2.980 4.450 -3.121 1.00 0.00 C ATOM 932 O TRP A 62 -3.038 4.336 -1.897 1.00 0.00 O ATOM 933 CB TRP A 62 -2.970 6.755 -4.094 1.00 0.00 C ATOM 934 CG TRP A 62 -2.235 7.227 -2.876 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.898 7.105 -2.626 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.798 7.895 -1.741 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.595 7.657 -1.405 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.743 8.149 -0.842 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.089 8.306 -1.398 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.943 8.793 0.376 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.285 8.945 -0.188 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.217 9.184 0.686 1.00 0.00 C ATOM 0 H TRP A 62 -4.879 5.819 -2.068 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.129 5.090 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.251 6.550 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.618 7.555 -4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.184 6.642 -3.291 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.334 7.694 -0.986 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.918 8.128 -2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.121 8.977 1.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.279 9.265 0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.403 9.687 1.623 1.00 0.00 H new ATOM 953 N GLU A 63 -2.206 3.685 -3.884 1.00 0.00 N ATOM 954 CA GLU A 63 -1.362 2.642 -3.312 1.00 0.00 C ATOM 955 C GLU A 63 0.116 2.983 -3.484 1.00 0.00 C ATOM 956 O GLU A 63 0.471 3.885 -4.241 1.00 0.00 O ATOM 957 CB GLU A 63 -1.665 1.293 -3.967 1.00 0.00 C ATOM 958 CG GLU A 63 -3.150 1.015 -4.130 1.00 0.00 C ATOM 959 CD GLU A 63 -3.424 -0.281 -4.868 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.018 -0.392 -6.043 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.044 -1.184 -4.268 1.00 0.00 O ATOM 0 H GLU A 63 -2.146 3.768 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.581 2.577 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.188 1.259 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.219 0.499 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.618 0.975 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.613 1.841 -4.670 1.00 0.00 H new ATOM 968 N MET A 64 0.971 2.254 -2.774 1.00 0.00 N ATOM 969 CA MET A 64 2.410 2.478 -2.848 1.00 0.00 C ATOM 970 C MET A 64 3.171 1.158 -2.771 1.00 0.00 C ATOM 971 O MET A 64 3.267 0.549 -1.706 1.00 0.00 O ATOM 972 CB MET A 64 2.862 3.407 -1.720 1.00 0.00 C ATOM 973 CG MET A 64 2.241 4.793 -1.789 1.00 0.00 C ATOM 974 SD MET A 64 2.067 5.558 -0.165 1.00 0.00 S ATOM 975 CE MET A 64 3.566 6.535 -0.089 1.00 0.00 C ATOM 0 H MET A 64 0.693 1.504 -2.141 1.00 0.00 H new ATOM 0 HA MET A 64 2.630 2.948 -3.806 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.610 2.952 -0.762 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.947 3.502 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.856 5.431 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.261 4.725 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.838 6.703 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.373 6.004 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.400 7.494 -0.580 1.00 0.00 H new ATOM 985 N GLU A 65 3.709 0.723 -3.906 1.00 0.00 N ATOM 986 CA GLU A 65 4.460 -0.526 -3.965 1.00 0.00 C ATOM 987 C GLU A 65 5.959 -0.265 -3.853 1.00 0.00 C ATOM 988 O GLU A 65 6.485 0.666 -4.463 1.00 0.00 O ATOM 989 CB GLU A 65 4.155 -1.269 -5.267 1.00 0.00 C ATOM 990 CG GLU A 65 5.029 -2.492 -5.488 1.00 0.00 C ATOM 991 CD GLU A 65 4.672 -3.242 -6.757 1.00 0.00 C ATOM 992 OE1 GLU A 65 4.557 -2.592 -7.817 1.00 0.00 O ATOM 993 OE2 GLU A 65 4.508 -4.478 -6.691 1.00 0.00 O ATOM 0 H GLU A 65 3.639 1.216 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 65 4.153 -1.145 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.109 -1.576 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.284 -0.584 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.074 -2.184 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.932 -3.163 -4.634 1.00 0.00 H new ATOM 1000 N VAL A 66 6.641 -1.094 -3.070 1.00 0.00 N ATOM 1001 CA VAL A 66 8.080 -0.955 -2.878 1.00 0.00 C ATOM 1002 C VAL A 66 8.845 -2.000 -3.682 1.00 0.00 C ATOM 1003 O VAL A 66 8.955 -3.156 -3.270 1.00 0.00 O ATOM 1004 CB VAL A 66 8.463 -1.083 -1.392 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.965 -0.921 -1.212 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.704 -0.063 -0.557 1.00 0.00 C ATOM 0 H VAL A 66 6.220 -1.869 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 66 8.352 0.040 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 66 8.186 -2.079 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.217 -1.014 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.485 -1.693 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.271 0.061 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.987 -0.168 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.948 0.942 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.632 -0.232 -0.662 1.00 0.00 H new ATOM 1016 N CYS A 67 9.374 -1.587 -4.828 1.00 0.00 N ATOM 1017 CA CYS A 67 10.130 -2.489 -5.690 1.00 0.00 C ATOM 1018 C CYS A 67 11.351 -1.786 -6.274 1.00 0.00 C ATOM 1019 O CYS A 67 11.497 -0.569 -6.155 1.00 0.00 O ATOM 1020 CB CYS A 67 9.241 -3.014 -6.818 1.00 0.00 C ATOM 1021 SG CYS A 67 9.788 -4.589 -7.517 1.00 0.00 S ATOM 0 H CYS A 67 9.294 -0.634 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 67 10.471 -3.329 -5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.225 -3.129 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.204 -2.269 -7.613 1.00 0.00 H new ATOM 0 HG CYS A 67 8.972 -4.951 -8.462 1.00 0.00 H new ATOM 1027 N LYS A 68 12.228 -2.561 -6.904 1.00 0.00 N ATOM 1028 CA LYS A 68 13.438 -2.014 -7.506 1.00 0.00 C ATOM 1029 C LYS A 68 13.134 -1.382 -8.861 1.00 0.00 C ATOM 1030 O LYS A 68 12.539 -2.016 -9.734 1.00 0.00 O ATOM 1031 CB LYS A 68 14.492 -3.111 -7.669 1.00 0.00 C ATOM 1032 CG LYS A 68 15.410 -3.256 -6.467 1.00 0.00 C ATOM 1033 CD LYS A 68 16.667 -4.034 -6.816 1.00 0.00 C ATOM 1034 CE LYS A 68 17.622 -4.111 -5.634 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.697 -5.117 -5.854 1.00 0.00 N ATOM 0 H LYS A 68 12.123 -3.570 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 68 13.826 -1.241 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.990 -4.062 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.094 -2.896 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.684 -2.268 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.879 -3.763 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.396 -5.041 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.168 -3.559 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.070 -3.132 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.065 -4.366 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.326 -5.139 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.271 -6.056 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.245 -4.860 -6.699 1.00 0.00 H new ATOM 1049 N LEU A 69 13.546 -0.131 -9.031 1.00 0.00 N ATOM 1050 CA LEU A 69 13.319 0.586 -10.281 1.00 0.00 C ATOM 1051 C LEU A 69 14.020 -0.109 -11.443 1.00 0.00 C ATOM 1052 O LEU A 69 15.112 -0.660 -11.302 1.00 0.00 O ATOM 1053 CB LEU A 69 13.815 2.029 -10.161 1.00 0.00 C ATOM 1054 CG LEU A 69 13.257 2.835 -8.988 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.986 4.163 -8.858 1.00 0.00 C ATOM 1056 CD2 LEU A 69 11.761 3.060 -9.159 1.00 0.00 C ATOM 0 H LEU A 69 14.039 0.408 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 69 12.247 0.591 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.902 2.013 -10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.572 2.554 -11.085 1.00 0.00 H new ATOM 0 HG LEU A 69 13.416 2.265 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.575 4.723 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.047 3.980 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.859 4.739 -9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.381 3.635 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.579 3.608 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.251 2.098 -9.201 1.00 0.00 H new ATOM 1068 N PRO A 70 13.380 -0.084 -12.622 1.00 0.00 N ATOM 1069 CA PRO A 70 13.925 -0.705 -13.832 1.00 0.00 C ATOM 1070 C PRO A 70 15.143 0.039 -14.367 1.00 0.00 C ATOM 1071 O PRO A 70 16.147 -0.575 -14.730 1.00 0.00 O ATOM 1072 CB PRO A 70 12.765 -0.619 -14.828 1.00 0.00 C ATOM 1073 CG PRO A 70 11.951 0.538 -14.361 1.00 0.00 C ATOM 1074 CD PRO A 70 12.075 0.554 -12.863 1.00 0.00 C ATOM 0 HA PRO A 70 14.272 -1.722 -13.648 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.127 -0.464 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.179 -1.538 -14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.315 1.470 -14.793 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.910 0.431 -14.665 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.045 1.570 -12.468 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.264 0.003 -12.387 1.00 0.00 H new ATOM 1082 N ARG A 71 15.049 1.364 -14.413 1.00 0.00 N ATOM 1083 CA ARG A 71 16.144 2.191 -14.905 1.00 0.00 C ATOM 1084 C ARG A 71 17.282 2.246 -13.890 1.00 0.00 C ATOM 1085 O ARG A 71 18.375 1.737 -14.138 1.00 0.00 O ATOM 1086 CB ARG A 71 15.647 3.606 -15.207 1.00 0.00 C ATOM 1087 CG ARG A 71 15.051 3.758 -16.597 1.00 0.00 C ATOM 1088 CD ARG A 71 15.132 5.196 -17.084 1.00 0.00 C ATOM 1089 NE ARG A 71 16.497 5.580 -17.434 1.00 0.00 N ATOM 1090 CZ ARG A 71 16.862 6.826 -17.713 1.00 0.00 C ATOM 1091 NH1 ARG A 71 15.968 7.805 -17.682 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.124 7.096 -18.023 1.00 0.00 N ATOM 0 H ARG A 71 14.226 1.888 -14.115 1.00 0.00 H new ATOM 0 HA ARG A 71 16.521 1.742 -15.824 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.897 3.884 -14.467 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.477 4.304 -15.098 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.579 3.107 -17.294 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.010 3.435 -16.585 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.486 5.321 -17.953 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.755 5.863 -16.308 1.00 0.00 H new ATOM 0 HE ARG A 71 17.209 4.851 -17.466 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.997 7.602 -17.443 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.251 8.761 -17.897 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.815 6.346 -18.047 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.403 8.053 -18.237 1.00 0.00 H new ATOM 1106 N LEU A 72 17.018 2.868 -12.746 1.00 0.00 N ATOM 1107 CA LEU A 72 18.019 2.991 -11.693 1.00 0.00 C ATOM 1108 C LEU A 72 18.151 1.687 -10.912 1.00 0.00 C ATOM 1109 O LEU A 72 17.458 0.710 -11.195 1.00 0.00 O ATOM 1110 CB LEU A 72 17.652 4.133 -10.743 1.00 0.00 C ATOM 1111 CG LEU A 72 17.670 5.538 -11.345 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.359 5.831 -12.057 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.937 6.577 -10.265 1.00 0.00 C ATOM 0 H LEU A 72 16.119 3.295 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 72 18.978 3.211 -12.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.655 3.942 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.341 4.112 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 72 18.476 5.589 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.391 6.836 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.209 5.106 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.536 5.762 -11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.946 7.571 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.153 6.526 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.903 6.379 -9.800 1.00 0.00 H new ATOM 1125 N SER A 73 19.044 1.681 -9.927 1.00 0.00 N ATOM 1126 CA SER A 73 19.267 0.497 -9.106 1.00 0.00 C ATOM 1127 C SER A 73 18.940 0.781 -7.643 1.00 0.00 C ATOM 1128 O SER A 73 19.789 0.629 -6.764 1.00 0.00 O ATOM 1129 CB SER A 73 20.718 0.028 -9.234 1.00 0.00 C ATOM 1130 OG SER A 73 20.825 -1.367 -9.012 1.00 0.00 O ATOM 0 H SER A 73 19.624 2.482 -9.679 1.00 0.00 H new ATOM 0 HA SER A 73 18.604 -0.292 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.096 0.271 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.341 0.562 -8.516 1.00 0.00 H new ATOM 0 HG SER A 73 21.762 -1.642 -9.101 1.00 0.00 H new ATOM 1136 N LEU A 74 17.703 1.193 -7.390 1.00 0.00 N ATOM 1137 CA LEU A 74 17.261 1.499 -6.034 1.00 0.00 C ATOM 1138 C LEU A 74 15.779 1.182 -5.859 1.00 0.00 C ATOM 1139 O LEU A 74 15.015 1.189 -6.823 1.00 0.00 O ATOM 1140 CB LEU A 74 17.521 2.971 -5.711 1.00 0.00 C ATOM 1141 CG LEU A 74 18.958 3.457 -5.901 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.167 3.966 -7.319 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.293 4.542 -4.888 1.00 0.00 C ATOM 0 H LEU A 74 16.988 1.323 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 74 17.831 0.876 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.867 3.580 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.232 3.151 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 74 19.630 2.615 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.196 4.308 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.970 3.161 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.486 4.794 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.320 4.876 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.614 5.385 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.185 4.144 -3.879 1.00 0.00 H new ATOM 1155 N ASN A 75 15.380 0.906 -4.622 1.00 0.00 N ATOM 1156 CA ASN A 75 13.989 0.588 -4.321 1.00 0.00 C ATOM 1157 C ASN A 75 13.178 1.860 -4.092 1.00 0.00 C ATOM 1158 O ASN A 75 13.178 2.420 -2.996 1.00 0.00 O ATOM 1159 CB ASN A 75 13.906 -0.313 -3.087 1.00 0.00 C ATOM 1160 CG ASN A 75 14.893 -1.463 -3.143 1.00 0.00 C ATOM 1161 OD1 ASN A 75 14.714 -2.412 -3.905 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.941 -1.382 -2.332 1.00 0.00 N ATOM 0 H ASN A 75 16.000 0.896 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 75 13.569 0.060 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.095 0.281 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.895 -0.710 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.639 -2.126 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.049 -0.576 -1.717 1.00 0.00 H new ATOM 1169 N GLY A 76 12.485 2.309 -5.134 1.00 0.00 N ATOM 1170 CA GLY A 76 11.679 3.511 -5.026 1.00 0.00 C ATOM 1171 C GLY A 76 10.219 3.207 -4.751 1.00 0.00 C ATOM 1172 O GLY A 76 9.778 2.066 -4.890 1.00 0.00 O ATOM 0 H GLY A 76 12.467 1.862 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.073 4.139 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.760 4.083 -5.950 1.00 0.00 H new ATOM 1176 N VAL A 77 9.467 4.230 -4.356 1.00 0.00 N ATOM 1177 CA VAL A 77 8.049 4.067 -4.060 1.00 0.00 C ATOM 1178 C VAL A 77 7.202 4.236 -5.316 1.00 0.00 C ATOM 1179 O VAL A 77 7.213 5.294 -5.946 1.00 0.00 O ATOM 1180 CB VAL A 77 7.578 5.076 -2.996 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.130 4.813 -2.614 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.480 5.020 -1.773 1.00 0.00 C ATOM 0 H VAL A 77 9.817 5.180 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 77 7.921 3.056 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 77 7.640 6.079 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.815 5.536 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.498 4.909 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.038 3.805 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.133 5.739 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.453 4.017 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.502 5.263 -2.063 1.00 0.00 H new ATOM 1192 N ARG A 78 6.468 3.188 -5.674 1.00 0.00 N ATOM 1193 CA ARG A 78 5.615 3.220 -6.856 1.00 0.00 C ATOM 1194 C ARG A 78 4.188 3.614 -6.486 1.00 0.00 C ATOM 1195 O ARG A 78 3.474 2.856 -5.829 1.00 0.00 O ATOM 1196 CB ARG A 78 5.615 1.856 -7.549 1.00 0.00 C ATOM 1197 CG ARG A 78 6.947 1.498 -8.188 1.00 0.00 C ATOM 1198 CD ARG A 78 6.853 0.207 -8.986 1.00 0.00 C ATOM 1199 NE ARG A 78 6.089 0.379 -10.218 1.00 0.00 N ATOM 1200 CZ ARG A 78 5.923 -0.581 -11.121 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.464 -1.777 -10.928 1.00 0.00 N ATOM 1202 NH2 ARG A 78 5.214 -0.348 -12.218 1.00 0.00 N ATOM 0 H ARG A 78 6.447 2.306 -5.162 1.00 0.00 H new ATOM 0 HA ARG A 78 6.015 3.968 -7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.353 1.088 -6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.840 1.847 -8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.268 2.309 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.707 1.394 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.856 -0.143 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.385 -0.564 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 78 5.659 1.287 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.008 -1.961 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.335 -2.513 -11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.795 0.570 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.088 -1.087 -12.910 1.00 0.00 H new ATOM 1216 N PHE A 79 3.780 4.805 -6.911 1.00 0.00 N ATOM 1217 CA PHE A 79 2.439 5.301 -6.624 1.00 0.00 C ATOM 1218 C PHE A 79 1.461 4.896 -7.723 1.00 0.00 C ATOM 1219 O PHE A 79 1.769 4.995 -8.911 1.00 0.00 O ATOM 1220 CB PHE A 79 2.456 6.824 -6.477 1.00 0.00 C ATOM 1221 CG PHE A 79 3.186 7.300 -5.254 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.559 7.146 -5.147 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.500 7.903 -4.212 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.234 7.582 -4.022 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.170 8.342 -3.085 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.538 8.182 -2.991 1.00 0.00 C ATOM 0 H PHE A 79 4.359 5.445 -7.455 1.00 0.00 H new ATOM 0 HA PHE A 79 2.108 4.856 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.921 7.261 -7.361 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.430 7.189 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.108 6.680 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.430 8.032 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.304 7.454 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.624 8.810 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.063 8.526 -2.112 1.00 0.00 H new ATOM 1236 N LYS A 80 0.282 4.437 -7.318 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.743 4.017 -8.267 1.00 0.00 C ATOM 1238 C LYS A 80 -2.120 4.511 -7.835 1.00 0.00 C ATOM 1239 O LYS A 80 -2.693 4.011 -6.867 1.00 0.00 O ATOM 1240 CB LYS A 80 -0.753 2.492 -8.395 1.00 0.00 C ATOM 1241 CG LYS A 80 -1.204 1.999 -9.759 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.720 1.966 -9.867 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.173 1.240 -11.124 1.00 0.00 C ATOM 1244 NZ LYS A 80 -2.965 2.064 -12.346 1.00 0.00 N ATOM 0 H LYS A 80 0.012 4.346 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.507 4.456 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.249 2.112 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.411 2.076 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.797 2.648 -10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.804 1.001 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.138 1.472 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.108 2.985 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.624 0.303 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.229 0.983 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.286 1.534 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.509 2.947 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.954 2.288 -12.446 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.645 5.493 -8.559 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.955 6.054 -8.250 1.00 0.00 C ATOM 1260 C ARG A 81 -5.040 4.986 -8.348 1.00 0.00 C ATOM 1261 O ARG A 81 -4.873 3.979 -9.037 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.275 7.210 -9.199 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.371 8.132 -8.688 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.569 9.326 -9.609 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.358 8.982 -10.789 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.840 8.454 -11.892 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -4.539 8.209 -11.965 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.623 8.169 -12.924 1.00 0.00 N ATOM 0 H ARG A 81 -2.184 5.917 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.930 6.429 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.369 7.793 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.575 6.804 -10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.305 7.577 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.117 8.481 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.066 10.127 -9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.597 9.708 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.363 9.157 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.934 8.426 -11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.143 7.803 -12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.624 8.355 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.224 7.764 -13.770 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.151 5.213 -7.655 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.263 4.270 -7.665 1.00 0.00 C ATOM 1284 C ILE A 82 -8.570 4.967 -8.027 1.00 0.00 C ATOM 1285 O ILE A 82 -9.260 4.566 -8.965 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.425 3.577 -6.300 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.144 2.828 -5.928 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.612 2.625 -6.327 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.692 1.843 -6.984 1.00 0.00 C ATOM 0 H ILE A 82 -6.305 6.041 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.033 3.518 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.611 4.339 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.348 3.551 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.303 2.296 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.714 2.143 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.521 3.183 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.453 1.867 -7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.779 1.349 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.471 1.097 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.500 2.373 -7.917 1.00 0.00 H new ATOM 1301 N SER A 83 -8.904 6.014 -7.279 1.00 0.00 N ATOM 1302 CA SER A 83 -10.130 6.766 -7.520 1.00 0.00 C ATOM 1303 C SER A 83 -9.901 8.259 -7.308 1.00 0.00 C ATOM 1304 O SER A 83 -8.857 8.674 -6.809 1.00 0.00 O ATOM 1305 CB SER A 83 -11.245 6.273 -6.597 1.00 0.00 C ATOM 1306 OG SER A 83 -10.846 6.332 -5.238 1.00 0.00 O ATOM 0 H SER A 83 -8.343 6.361 -6.501 1.00 0.00 H new ATOM 0 HA SER A 83 -10.429 6.605 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.138 6.881 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.510 5.248 -6.857 1.00 0.00 H new ATOM 0 HG SER A 83 -11.577 6.013 -4.668 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.888 9.063 -7.693 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.776 10.502 -7.538 1.00 0.00 C ATOM 1314 C GLY A 84 -10.097 11.162 -8.722 1.00 0.00 C ATOM 1315 O GLY A 84 -9.668 10.486 -9.658 1.00 0.00 O ATOM 0 H GLY A 84 -11.763 8.744 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.771 10.929 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.214 10.724 -6.631 1.00 0.00 H new ATOM 1319 N THR A 85 -10.000 12.487 -8.683 1.00 0.00 N ATOM 1320 CA THR A 85 -9.371 13.239 -9.762 1.00 0.00 C ATOM 1321 C THR A 85 -7.894 13.484 -9.473 1.00 0.00 C ATOM 1322 O THR A 85 -7.472 13.495 -8.317 1.00 0.00 O ATOM 1323 CB THR A 85 -10.070 14.593 -9.984 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.431 15.305 -11.050 1.00 0.00 O ATOM 1325 CG2 THR A 85 -10.039 15.433 -8.717 1.00 0.00 C ATOM 0 H THR A 85 -10.349 13.062 -7.916 1.00 0.00 H new ATOM 0 HA THR A 85 -9.467 12.636 -10.665 1.00 0.00 H new ATOM 0 HB THR A 85 -11.110 14.401 -10.248 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.882 16.164 -11.186 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.539 16.384 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.552 14.901 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.004 15.616 -8.427 1.00 0.00 H new ATOM 1333 N SER A 86 -7.114 13.680 -10.531 1.00 0.00 N ATOM 1334 CA SER A 86 -5.683 13.921 -10.391 1.00 0.00 C ATOM 1335 C SER A 86 -5.417 15.053 -9.403 1.00 0.00 C ATOM 1336 O SER A 86 -4.604 14.915 -8.489 1.00 0.00 O ATOM 1337 CB SER A 86 -5.066 14.260 -11.750 1.00 0.00 C ATOM 1338 OG SER A 86 -3.706 14.633 -11.613 1.00 0.00 O ATOM 0 H SER A 86 -7.449 13.677 -11.494 1.00 0.00 H new ATOM 0 HA SER A 86 -5.222 13.011 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.145 13.399 -12.414 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.624 15.073 -12.214 1.00 0.00 H new ATOM 0 HG SER A 86 -3.334 14.843 -12.495 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.109 16.172 -9.595 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.949 17.327 -8.720 1.00 0.00 C ATOM 1346 C ILE A 87 -5.780 16.898 -7.267 1.00 0.00 C ATOM 1347 O ILE A 87 -4.734 17.127 -6.659 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.152 18.283 -8.825 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.183 18.951 -10.201 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -7.094 19.330 -7.723 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.417 19.793 -10.436 1.00 0.00 C ATOM 0 H ILE A 87 -6.785 16.303 -10.348 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.050 17.849 -9.048 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.068 17.705 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.299 19.578 -10.311 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.126 18.181 -10.971 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.951 19.998 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.116 18.837 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.173 19.906 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.371 20.236 -11.431 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.305 19.166 -10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.465 20.585 -9.688 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.814 16.272 -6.716 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.779 15.806 -5.335 1.00 0.00 C ATOM 1365 C ALA A 88 -5.610 14.854 -5.107 1.00 0.00 C ATOM 1366 O ALA A 88 -4.817 15.039 -4.183 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.092 15.129 -4.973 1.00 0.00 C ATOM 0 H ALA A 88 -7.687 16.076 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.640 16.672 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.052 14.786 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.911 15.839 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.255 14.276 -5.632 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.509 13.834 -5.953 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.437 12.852 -5.842 1.00 0.00 C ATOM 1375 C PHE A 89 -3.094 13.537 -5.607 1.00 0.00 C ATOM 1376 O PHE A 89 -2.421 13.283 -4.608 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.370 11.993 -7.107 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.221 11.026 -7.115 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -2.964 10.226 -6.014 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.397 10.919 -8.224 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -1.908 9.335 -6.018 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.340 10.029 -8.234 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.094 9.237 -7.130 1.00 0.00 C ATOM 0 H PHE A 89 -6.157 13.666 -6.723 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.653 12.211 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.302 11.438 -7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.291 12.646 -7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.597 10.300 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.583 11.538 -9.090 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.719 8.716 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.706 9.953 -9.105 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.267 8.542 -7.136 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.710 14.406 -6.535 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.448 15.129 -6.431 1.00 0.00 C ATOM 1395 C LYS A 90 -1.348 15.861 -5.097 1.00 0.00 C ATOM 1396 O LYS A 90 -0.364 15.720 -4.373 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.312 16.127 -7.584 1.00 0.00 C ATOM 1398 CG LYS A 90 0.022 16.854 -7.605 1.00 0.00 C ATOM 1399 CD LYS A 90 0.344 17.388 -8.990 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.624 18.486 -9.403 1.00 0.00 C ATOM 1401 NZ LYS A 90 -1.837 17.935 -10.069 1.00 0.00 N ATOM 0 H LYS A 90 -3.255 14.627 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.637 14.403 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.443 15.599 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.115 16.861 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.001 17.678 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.812 16.176 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.363 17.775 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.303 16.574 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.921 19.058 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.121 19.178 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.062 18.506 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.658 16.952 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.639 17.961 -9.407 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.375 16.643 -4.778 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.403 17.396 -3.529 1.00 0.00 C ATOM 1417 C ASN A 91 -1.975 16.520 -2.356 1.00 0.00 C ATOM 1418 O ASN A 91 -0.861 16.648 -1.847 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.805 17.955 -3.278 1.00 0.00 C ATOM 1420 CG ASN A 91 -3.994 19.334 -3.880 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.037 19.962 -4.333 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.233 19.812 -3.887 1.00 0.00 N ATOM 0 H ASN A 91 -3.198 16.772 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.699 18.224 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.545 17.274 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.988 18.002 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.421 20.735 -4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.996 19.256 -3.501 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.867 15.631 -1.932 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.581 14.733 -0.820 1.00 0.00 C ATOM 1431 C ILE A 92 -1.287 13.962 -1.055 1.00 0.00 C ATOM 1432 O ILE A 92 -0.551 13.662 -0.115 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.729 13.731 -0.596 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -3.334 12.698 0.461 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -4.096 13.045 -1.904 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -3.140 13.288 1.840 1.00 0.00 C ATOM 0 H ILE A 92 -3.794 15.513 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.474 15.355 0.069 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.602 14.275 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.103 11.927 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.411 12.208 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.909 12.340 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.414 13.793 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.228 12.510 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.861 12.498 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.350 14.038 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.069 13.753 2.171 1.00 0.00 H new ATOM 1448 N ALA A 93 -1.014 13.645 -2.317 1.00 0.00 N ATOM 1449 CA ALA A 93 0.194 12.913 -2.677 1.00 0.00 C ATOM 1450 C ALA A 93 1.445 13.717 -2.339 1.00 0.00 C ATOM 1451 O ALA A 93 2.465 13.157 -1.937 1.00 0.00 O ATOM 1452 CB ALA A 93 0.175 12.558 -4.156 1.00 0.00 C ATOM 0 H ALA A 93 -1.613 13.884 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 93 0.218 11.992 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.083 12.012 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.694 11.936 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.123 13.471 -4.749 1.00 0.00 H new ATOM 1458 N SER A 94 1.360 15.033 -2.507 1.00 0.00 N ATOM 1459 CA SER A 94 2.487 15.914 -2.225 1.00 0.00 C ATOM 1460 C SER A 94 2.844 15.881 -0.742 1.00 0.00 C ATOM 1461 O SER A 94 3.960 16.226 -0.352 1.00 0.00 O ATOM 1462 CB SER A 94 2.161 17.347 -2.650 1.00 0.00 C ATOM 1463 OG SER A 94 2.406 17.536 -4.033 1.00 0.00 O ATOM 0 H SER A 94 0.522 15.512 -2.837 1.00 0.00 H new ATOM 0 HA SER A 94 3.345 15.559 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.117 17.567 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.763 18.047 -2.072 1.00 0.00 H new ATOM 0 HG SER A 94 2.189 18.459 -4.281 1.00 0.00 H new ATOM 1469 N LYS A 95 1.889 15.463 0.081 1.00 0.00 N ATOM 1470 CA LYS A 95 2.100 15.382 1.522 1.00 0.00 C ATOM 1471 C LYS A 95 2.935 14.157 1.881 1.00 0.00 C ATOM 1472 O LYS A 95 3.839 14.233 2.713 1.00 0.00 O ATOM 1473 CB LYS A 95 0.757 15.330 2.253 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.168 16.485 1.910 1.00 0.00 C ATOM 1475 CD LYS A 95 0.078 17.682 2.813 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.603 17.512 4.162 1.00 0.00 C ATOM 1477 NZ LYS A 95 -2.081 17.660 4.060 1.00 0.00 N ATOM 0 H LYS A 95 0.960 15.175 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 95 2.642 16.274 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.258 14.392 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.938 15.327 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.019 16.776 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.205 16.163 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.150 17.814 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.292 18.586 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.364 16.529 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.212 18.250 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.483 17.792 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.307 18.486 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.487 16.805 3.628 1.00 0.00 H new ATOM 1491 N ILE A 96 2.626 13.030 1.249 1.00 0.00 N ATOM 1492 CA ILE A 96 3.350 11.790 1.501 1.00 0.00 C ATOM 1493 C ILE A 96 4.771 11.862 0.955 1.00 0.00 C ATOM 1494 O ILE A 96 5.740 11.833 1.712 1.00 0.00 O ATOM 1495 CB ILE A 96 2.631 10.581 0.872 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.167 10.543 1.317 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.339 9.289 1.251 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.977 10.030 2.727 1.00 0.00 C ATOM 0 H ILE A 96 1.879 12.950 0.559 1.00 0.00 H new ATOM 0 HA ILE A 96 3.385 11.660 2.583 1.00 0.00 H new ATOM 0 HB ILE A 96 2.659 10.683 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.748 11.546 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.603 9.912 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.820 8.444 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.367 9.318 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.338 9.178 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.085 10.031 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.366 9.014 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.512 10.675 3.424 1.00 0.00 H new ATOM 1510 N ALA A 97 4.888 11.959 -0.366 1.00 0.00 N ATOM 1511 CA ALA A 97 6.191 12.040 -1.014 1.00 0.00 C ATOM 1512 C ALA A 97 7.152 12.907 -0.207 1.00 0.00 C ATOM 1513 O ALA A 97 8.279 12.503 0.075 1.00 0.00 O ATOM 1514 CB ALA A 97 6.045 12.584 -2.427 1.00 0.00 C ATOM 0 H ALA A 97 4.096 11.983 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 97 6.607 11.034 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.026 12.639 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.400 11.923 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.604 13.580 -2.390 1.00 0.00 H new ATOM 1520 N ASN A 98 6.699 14.101 0.159 1.00 0.00 N ATOM 1521 CA ASN A 98 7.520 15.026 0.932 1.00 0.00 C ATOM 1522 C ASN A 98 7.779 14.482 2.334 1.00 0.00 C ATOM 1523 O ASN A 98 8.915 14.169 2.688 1.00 0.00 O ATOM 1524 CB ASN A 98 6.838 16.393 1.022 1.00 0.00 C ATOM 1525 CG ASN A 98 7.741 17.450 1.628 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.036 17.419 2.823 1.00 0.00 O ATOM 1527 ND2 ASN A 98 8.183 18.394 0.805 1.00 0.00 N ATOM 0 H ASN A 98 5.768 14.451 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 98 8.477 15.137 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.531 16.709 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.932 16.305 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.793 19.132 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.913 18.380 -0.179 1.00 0.00 H new ATOM 1534 N GLU A 99 6.717 14.373 3.126 1.00 0.00 N ATOM 1535 CA GLU A 99 6.831 13.867 4.489 1.00 0.00 C ATOM 1536 C GLU A 99 7.804 12.694 4.555 1.00 0.00 C ATOM 1537 O GLU A 99 8.791 12.732 5.291 1.00 0.00 O ATOM 1538 CB GLU A 99 5.459 13.436 5.013 1.00 0.00 C ATOM 1539 CG GLU A 99 4.633 14.581 5.573 1.00 0.00 C ATOM 1540 CD GLU A 99 5.394 15.404 6.594 1.00 0.00 C ATOM 1541 OE1 GLU A 99 6.123 14.805 7.413 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.261 16.645 6.576 1.00 0.00 O ATOM 0 H GLU A 99 5.769 14.628 2.848 1.00 0.00 H new ATOM 0 HA GLU A 99 7.216 14.671 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.904 12.961 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.596 12.684 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.314 15.228 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.730 14.181 6.034 1.00 0.00 H new ATOM 1549 N LEU A 100 7.520 11.653 3.780 1.00 0.00 N ATOM 1550 CA LEU A 100 8.369 10.467 3.750 1.00 0.00 C ATOM 1551 C LEU A 100 9.836 10.844 3.933 1.00 0.00 C ATOM 1552 O LEU A 100 10.392 11.617 3.152 1.00 0.00 O ATOM 1553 CB LEU A 100 8.184 9.717 2.430 1.00 0.00 C ATOM 1554 CG LEU A 100 6.854 8.984 2.255 1.00 0.00 C ATOM 1555 CD1 LEU A 100 6.678 8.533 0.813 1.00 0.00 C ATOM 1556 CD2 LEU A 100 6.771 7.796 3.201 1.00 0.00 C ATOM 0 H LEU A 100 6.708 11.606 3.164 1.00 0.00 H new ATOM 0 HA LEU A 100 8.074 9.817 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.294 10.429 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.991 8.991 2.331 1.00 0.00 H new ATOM 0 HG LEU A 100 6.046 9.674 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.726 8.013 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.691 9.402 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.491 7.860 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.818 7.286 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.586 7.104 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.850 8.145 4.231 1.00 0.00 H new ATOM 1568 N LYS A 101 10.459 10.291 4.968 1.00 0.00 N ATOM 1569 CA LYS A 101 11.862 10.564 5.253 1.00 0.00 C ATOM 1570 C LYS A 101 12.753 9.443 4.727 1.00 0.00 C ATOM 1571 O LYS A 101 13.763 9.098 5.343 1.00 0.00 O ATOM 1572 CB LYS A 101 12.074 10.735 6.759 1.00 0.00 C ATOM 1573 CG LYS A 101 11.271 11.875 7.361 1.00 0.00 C ATOM 1574 CD LYS A 101 11.975 12.477 8.566 1.00 0.00 C ATOM 1575 CE LYS A 101 13.030 13.490 8.147 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.456 14.349 9.286 1.00 0.00 N ATOM 0 H LYS A 101 10.013 9.650 5.624 1.00 0.00 H new ATOM 0 HA LYS A 101 12.136 11.489 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.805 9.807 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.133 10.907 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.112 12.647 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.287 11.512 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.242 12.960 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.442 11.684 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.896 12.966 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.635 14.117 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.175 15.026 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.634 14.868 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.857 13.754 10.039 1.00 0.00 H new ATOM 1590 N LEU A 102 12.374 8.878 3.587 1.00 0.00 N ATOM 1591 CA LEU A 102 13.139 7.796 2.977 1.00 0.00 C ATOM 1592 C LEU A 102 14.471 8.308 2.438 1.00 0.00 C ATOM 1593 O LEU A 102 15.536 7.850 2.850 1.00 0.00 O ATOM 1594 CB LEU A 102 12.334 7.148 1.849 1.00 0.00 C ATOM 1595 CG LEU A 102 10.950 6.622 2.229 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.074 6.483 0.993 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.066 5.290 2.954 1.00 0.00 C ATOM 0 H LEU A 102 11.541 9.151 3.066 1.00 0.00 H new ATOM 0 HA LEU A 102 13.342 7.049 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.216 7.878 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.916 6.321 1.443 1.00 0.00 H new ATOM 0 HG LEU A 102 10.482 7.340 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.093 6.107 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.963 7.456 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.538 5.786 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.071 4.931 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.554 4.563 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.656 5.420 3.861 1.00 0.00 H new TER 1609 LEU A 102