USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= -0.376 K(o=-2.9,f=-5.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.56! C(o=-2.9!,f=-5.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 0.92 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 110:sc= 0.738 USER MOD Single : A 1 TRP N :NH3+ -174:sc= 1.16 (180deg=1.07) USER MOD Single : A 5 CYS SG : rot 7:sc= -2.74! USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= 0.769 (180deg=-0.101) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 15 GLN :FLIP amide:sc= -1.84! C(o=-3.3!,f=-1.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -52:sc= 0.429 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.918 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.302 F(o=-1.4,f=0.3) USER MOD Single : A 34 THR OG1 : rot -25:sc= 0.671 USER MOD Single : A 40 SER OG : rot 180:sc= -1.55! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -14:sc= 0.361 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 43:sc= 0.15 USER MOD Single : A 71 MET CE :methyl -136:sc= -2.8 (180deg=-4.99!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.566 0.302 -0.220 1.00 0.00 N ATOM 2 CA TRP A 1 1.531 0.220 -1.341 1.00 0.00 C ATOM 3 C TRP A 1 2.905 -0.213 -0.822 1.00 0.00 C ATOM 4 O TRP A 1 3.374 0.275 0.209 1.00 0.00 O ATOM 5 CB TRP A 1 1.645 1.578 -2.087 1.00 0.00 C ATOM 6 CG TRP A 1 0.459 1.956 -2.952 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.792 1.399 -2.971 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.439 3.000 -3.938 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.575 2.024 -3.908 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.842 3.011 -4.514 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.389 3.917 -4.388 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.195 3.909 -5.515 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.037 4.811 -5.376 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.244 4.802 -5.935 1.00 0.00 C ATOM 0 H1 TRP A 1 -0.385 0.497 -0.594 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.557 -0.600 0.297 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.848 1.067 0.425 1.00 0.00 H new ATOM 0 HA TRP A 1 1.164 -0.523 -2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 1 1.798 2.365 -1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.536 1.553 -2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -1.115 0.585 -2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.545 1.792 -4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.384 3.926 -3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.185 3.903 -5.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.763 5.531 -5.724 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.489 5.511 -6.712 1.00 0.00 H new ATOM 27 N ARG A 2 3.529 -1.133 -1.564 1.00 0.00 N ATOM 28 CA ARG A 2 4.887 -1.616 -1.315 1.00 0.00 C ATOM 29 C ARG A 2 5.694 -1.417 -2.611 1.00 0.00 C ATOM 30 O ARG A 2 5.465 -2.097 -3.606 1.00 0.00 O ATOM 31 CB ARG A 2 4.855 -3.111 -0.871 1.00 0.00 C ATOM 32 CG ARG A 2 4.080 -4.067 -1.817 1.00 0.00 C ATOM 33 CD ARG A 2 4.240 -5.540 -1.442 1.00 0.00 C ATOM 34 NE ARG A 2 3.823 -5.807 -0.057 1.00 0.00 N ATOM 35 CZ ARG A 2 4.337 -6.753 0.736 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.288 -7.569 0.299 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.895 -6.875 1.974 1.00 0.00 N ATOM 0 H ARG A 2 3.091 -1.572 -2.374 1.00 0.00 H new ATOM 0 HA ARG A 2 5.360 -1.060 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.881 -3.468 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.409 -3.169 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.022 -3.807 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.428 -3.918 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.649 -6.153 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.281 -5.835 -1.570 1.00 0.00 H new ATOM 0 HE ARG A 2 3.082 -5.223 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.638 -7.480 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.669 -8.285 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.166 -6.250 2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.282 -7.594 2.585 1.00 0.00 H new ATOM 51 N VAL A 3 6.602 -0.426 -2.621 1.00 0.00 N ATOM 52 CA VAL A 3 7.342 -0.032 -3.847 1.00 0.00 C ATOM 53 C VAL A 3 8.853 0.056 -3.556 1.00 0.00 C ATOM 54 O VAL A 3 9.255 0.559 -2.499 1.00 0.00 O ATOM 55 CB VAL A 3 6.809 1.343 -4.399 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.465 1.702 -5.742 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.258 1.339 -4.520 1.00 0.00 C ATOM 0 H VAL A 3 6.846 0.122 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 3 7.177 -0.795 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 3 7.087 2.113 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.074 2.657 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.544 1.778 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.242 0.926 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.920 2.302 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.948 0.548 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.817 1.165 -3.539 1.00 0.00 H new ATOM 67 N ARG A 4 9.678 -0.432 -4.504 1.00 0.00 N ATOM 68 CA ARG A 4 11.143 -0.472 -4.350 1.00 0.00 C ATOM 69 C ARG A 4 11.797 0.863 -4.762 1.00 0.00 C ATOM 70 O ARG A 4 11.265 1.602 -5.599 1.00 0.00 O ATOM 71 CB ARG A 4 11.752 -1.636 -5.171 1.00 0.00 C ATOM 72 CG ARG A 4 11.299 -3.041 -4.726 1.00 0.00 C ATOM 73 CD ARG A 4 12.046 -4.162 -5.465 1.00 0.00 C ATOM 74 NE ARG A 4 11.573 -5.505 -5.078 1.00 0.00 N ATOM 75 CZ ARG A 4 12.291 -6.641 -5.179 1.00 0.00 C ATOM 76 NH1 ARG A 4 13.565 -6.613 -5.556 1.00 0.00 N ATOM 77 NH2 ARG A 4 11.733 -7.803 -4.891 1.00 0.00 N ATOM 0 H ARG A 4 9.348 -0.807 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 4 11.351 -0.638 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.490 -1.499 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.839 -1.581 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.459 -3.148 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.228 -3.146 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.920 -4.031 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.113 -4.082 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 4 10.627 -5.580 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.013 -5.723 -5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.095 -7.482 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.759 -7.841 -4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.277 -8.663 -4.968 1.00 0.00 H new ATOM 91 N CYS A 5 12.978 1.134 -4.171 1.00 0.00 N ATOM 92 CA CYS A 5 13.770 2.346 -4.417 1.00 0.00 C ATOM 93 C CYS A 5 15.243 1.977 -4.715 1.00 0.00 C ATOM 94 O CYS A 5 15.956 1.458 -3.843 1.00 0.00 O ATOM 95 CB CYS A 5 13.660 3.303 -3.209 1.00 0.00 C ATOM 96 SG CYS A 5 11.993 3.966 -2.977 1.00 0.00 S ATOM 0 H CYS A 5 13.412 0.502 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 5 13.375 2.860 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.963 2.774 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.358 4.130 -3.343 1.00 0.00 H new ATOM 0 HG CYS A 5 11.175 3.381 -3.801 1.00 0.00 H new ATOM 102 N LYS A 6 15.657 2.217 -5.977 1.00 0.00 N ATOM 103 CA LYS A 6 17.030 1.983 -6.463 1.00 0.00 C ATOM 104 C LYS A 6 17.914 3.179 -6.082 1.00 0.00 C ATOM 105 O LYS A 6 17.777 4.258 -6.663 1.00 0.00 O ATOM 106 CB LYS A 6 17.004 1.805 -8.013 1.00 0.00 C ATOM 107 CG LYS A 6 18.362 1.461 -8.675 1.00 0.00 C ATOM 108 CD LYS A 6 18.848 0.031 -8.351 1.00 0.00 C ATOM 109 CE LYS A 6 17.913 -1.061 -8.911 1.00 0.00 C ATOM 110 NZ LYS A 6 18.405 -2.428 -8.594 1.00 0.00 N ATOM 0 H LYS A 6 15.035 2.585 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 6 17.437 1.080 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.292 1.017 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.626 2.725 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.271 1.572 -9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.113 2.178 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.848 -0.109 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.927 -0.084 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.913 -0.930 -8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.828 -0.947 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.708 -3.131 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.310 -2.593 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.542 -2.518 -7.567 1.00 0.00 H new ATOM 124 N ALA A 7 18.807 2.985 -5.108 1.00 0.00 N ATOM 125 CA ALA A 7 19.659 4.068 -4.592 1.00 0.00 C ATOM 126 C ALA A 7 21.033 3.541 -4.173 1.00 0.00 C ATOM 127 O ALA A 7 21.295 2.335 -4.238 1.00 0.00 O ATOM 128 CB ALA A 7 18.964 4.769 -3.418 1.00 0.00 C ATOM 0 H ALA A 7 18.962 2.084 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 7 19.815 4.792 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.602 5.569 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.016 5.189 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.779 4.048 -2.621 1.00 0.00 H new ATOM 134 N LYS A 8 21.890 4.479 -3.729 1.00 0.00 N ATOM 135 CA LYS A 8 23.269 4.204 -3.288 1.00 0.00 C ATOM 136 C LYS A 8 23.317 3.251 -2.085 1.00 0.00 C ATOM 137 O LYS A 8 24.213 2.410 -1.991 1.00 0.00 O ATOM 138 CB LYS A 8 23.968 5.539 -2.945 1.00 0.00 C ATOM 139 CG LYS A 8 24.186 6.456 -4.165 1.00 0.00 C ATOM 140 CD LYS A 8 25.235 5.908 -5.164 1.00 0.00 C ATOM 141 CE LYS A 8 26.640 5.768 -4.542 1.00 0.00 C ATOM 142 NZ LYS A 8 27.145 7.055 -3.982 1.00 0.00 N ATOM 0 H LYS A 8 21.639 5.466 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 8 23.792 3.707 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.372 6.071 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.933 5.326 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.237 6.591 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.503 7.440 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.907 4.935 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.289 6.572 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.611 5.018 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 8 27.335 5.407 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 28.135 7.194 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.567 7.841 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.086 7.029 -2.944 1.00 0.00 H new ATOM 156 N GLY A 9 22.317 3.365 -1.189 1.00 0.00 N ATOM 157 CA GLY A 9 22.229 2.516 0.000 1.00 0.00 C ATOM 158 C GLY A 9 21.569 1.164 -0.270 1.00 0.00 C ATOM 159 O GLY A 9 20.997 0.560 0.648 1.00 0.00 O ATOM 0 H GLY A 9 21.559 4.042 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.231 2.351 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.665 3.040 0.771 1.00 0.00 H new ATOM 163 N GLY A 10 21.662 0.678 -1.523 1.00 0.00 N ATOM 164 CA GLY A 10 21.054 -0.588 -1.927 1.00 0.00 C ATOM 165 C GLY A 10 19.652 -0.392 -2.478 1.00 0.00 C ATOM 166 O GLY A 10 19.075 0.704 -2.375 1.00 0.00 O ATOM 0 H GLY A 10 22.160 1.155 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.678 -1.066 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.017 -1.262 -1.072 1.00 0.00 H new ATOM 170 N THR A 11 19.098 -1.453 -3.064 1.00 0.00 N ATOM 171 CA THR A 11 17.720 -1.456 -3.550 1.00 0.00 C ATOM 172 C THR A 11 16.806 -1.934 -2.407 1.00 0.00 C ATOM 173 O THR A 11 16.772 -3.126 -2.075 1.00 0.00 O ATOM 174 CB THR A 11 17.561 -2.366 -4.804 1.00 0.00 C ATOM 175 OG1 THR A 11 18.562 -2.019 -5.767 1.00 0.00 O ATOM 176 CG2 THR A 11 16.175 -2.218 -5.452 1.00 0.00 C ATOM 0 H THR A 11 19.591 -2.333 -3.215 1.00 0.00 H new ATOM 0 HA THR A 11 17.441 -0.448 -3.855 1.00 0.00 H new ATOM 0 HB THR A 11 17.674 -3.401 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.221 -2.742 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.109 -2.871 -6.323 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.405 -2.495 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.027 -1.184 -5.762 1.00 0.00 H new ATOM 184 N HIS A 12 16.120 -0.978 -1.781 1.00 0.00 N ATOM 185 CA HIS A 12 15.235 -1.220 -0.629 1.00 0.00 C ATOM 186 C HIS A 12 13.777 -1.235 -1.080 1.00 0.00 C ATOM 187 O HIS A 12 13.491 -1.063 -2.268 1.00 0.00 O ATOM 188 CB HIS A 12 15.470 -0.130 0.445 1.00 0.00 C ATOM 189 CG HIS A 12 16.696 -0.362 1.296 1.00 0.00 C ATOM 190 ND1 HIS A 12 16.648 -0.440 2.673 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.997 -0.537 0.964 1.00 0.00 C ATOM 192 CE1 HIS A 12 17.857 -0.657 3.144 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.690 -0.724 2.128 1.00 0.00 N ATOM 0 H HIS A 12 16.160 0.002 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 12 15.465 -2.193 -0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.560 0.838 -0.048 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.595 -0.078 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.410 -0.530 -0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 12 18.121 -0.762 4.186 1.00 0.00 H new ATOM 0 HE2 HIS A 12 19.694 -0.889 2.197 1.00 0.00 H new ATOM 202 N LEU A 13 12.859 -1.462 -0.134 1.00 0.00 N ATOM 203 CA LEU A 13 11.426 -1.536 -0.426 1.00 0.00 C ATOM 204 C LEU A 13 10.661 -0.727 0.640 1.00 0.00 C ATOM 205 O LEU A 13 10.546 -1.158 1.793 1.00 0.00 O ATOM 206 CB LEU A 13 10.972 -3.036 -0.473 1.00 0.00 C ATOM 207 CG LEU A 13 9.722 -3.375 -1.353 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.485 -4.897 -1.437 1.00 0.00 C ATOM 209 CD2 LEU A 13 8.454 -2.668 -0.867 1.00 0.00 C ATOM 0 H LEU A 13 13.088 -1.599 0.850 1.00 0.00 H new ATOM 0 HA LEU A 13 11.207 -1.104 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.811 -3.632 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.765 -3.359 0.547 1.00 0.00 H new ATOM 0 HG LEU A 13 9.944 -3.001 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.610 -5.095 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.358 -5.377 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.320 -5.295 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.617 -2.937 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.237 -2.974 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.604 -1.589 -0.899 1.00 0.00 H new ATOM 221 N LEU A 14 10.162 0.453 0.236 1.00 0.00 N ATOM 222 CA LEU A 14 9.321 1.317 1.082 1.00 0.00 C ATOM 223 C LEU A 14 7.977 0.621 1.371 1.00 0.00 C ATOM 224 O LEU A 14 7.146 0.450 0.468 1.00 0.00 O ATOM 225 CB LEU A 14 9.105 2.704 0.395 1.00 0.00 C ATOM 226 CG LEU A 14 10.159 3.818 0.689 1.00 0.00 C ATOM 227 CD1 LEU A 14 10.075 4.280 2.159 1.00 0.00 C ATOM 228 CD2 LEU A 14 11.593 3.363 0.318 1.00 0.00 C ATOM 0 H LEU A 14 10.332 0.837 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 14 9.826 1.490 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.073 2.546 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.125 3.079 0.692 1.00 0.00 H new ATOM 0 HG LEU A 14 9.922 4.673 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.819 5.056 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.080 4.677 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.267 3.433 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.297 4.165 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.856 2.480 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.635 3.123 -0.744 1.00 0.00 H new ATOM 240 N GLN A 15 7.816 0.187 2.630 1.00 0.00 N ATOM 241 CA GLN A 15 6.619 -0.519 3.115 1.00 0.00 C ATOM 242 C GLN A 15 5.463 0.466 3.345 1.00 0.00 C ATOM 243 O GLN A 15 4.324 0.209 2.948 1.00 0.00 O ATOM 244 CB GLN A 15 6.953 -1.248 4.446 1.00 0.00 C ATOM 245 CG GLN A 15 8.135 -2.235 4.366 1.00 0.00 C ATOM 246 CD GLN A 15 7.868 -3.446 3.481 1.00 0.00 C ATOM 247 OE1 GLN A 15 8.251 -3.360 2.227 1.00 0.00 O flip ATOM 248 NE2 GLN A 15 7.346 -4.459 3.932 1.00 0.00 N flip ATOM 0 H GLN A 15 8.525 0.318 3.352 1.00 0.00 H new ATOM 0 HA GLN A 15 6.312 -1.245 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.174 -0.500 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.068 -1.790 4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.011 -1.708 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.378 -2.578 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.060 -4.493 4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.198 -5.268 3.329 1.00 0.00 H new ATOM 257 N GLY A 16 5.786 1.598 4.004 1.00 0.00 N ATOM 258 CA GLY A 16 4.789 2.591 4.405 1.00 0.00 C ATOM 259 C GLY A 16 4.472 3.603 3.314 1.00 0.00 C ATOM 260 O GLY A 16 4.763 4.795 3.460 1.00 0.00 O ATOM 0 H GLY A 16 6.741 1.841 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.871 2.078 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.148 3.120 5.288 1.00 0.00 H new ATOM 264 N LEU A 17 3.875 3.126 2.208 1.00 0.00 N ATOM 265 CA LEU A 17 3.368 3.994 1.130 1.00 0.00 C ATOM 266 C LEU A 17 1.845 3.817 0.973 1.00 0.00 C ATOM 267 O LEU A 17 1.318 2.705 1.074 1.00 0.00 O ATOM 268 CB LEU A 17 4.079 3.704 -0.218 1.00 0.00 C ATOM 269 CG LEU A 17 5.607 4.014 -0.276 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.180 3.717 -1.677 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.898 5.474 0.136 1.00 0.00 C ATOM 0 H LEU A 17 3.730 2.131 2.036 1.00 0.00 H new ATOM 0 HA LEU A 17 3.583 5.026 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.934 2.651 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.583 4.282 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 17 6.104 3.358 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.246 3.942 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.028 2.665 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.671 4.334 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.971 5.659 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.380 6.153 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.548 5.641 1.155 1.00 0.00 H new ATOM 283 N SER A 18 1.168 4.945 0.774 1.00 0.00 N ATOM 284 CA SER A 18 -0.254 5.027 0.407 1.00 0.00 C ATOM 285 C SER A 18 -0.368 5.661 -0.998 1.00 0.00 C ATOM 286 O SER A 18 0.648 5.954 -1.633 1.00 0.00 O ATOM 287 CB SER A 18 -0.998 5.874 1.467 1.00 0.00 C ATOM 288 OG SER A 18 -0.786 5.357 2.776 1.00 0.00 O ATOM 0 H SER A 18 1.604 5.862 0.866 1.00 0.00 H new ATOM 0 HA SER A 18 -0.707 4.036 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.652 6.907 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.065 5.885 1.245 1.00 0.00 H new ATOM 0 HG SER A 18 -1.265 5.910 3.428 1.00 0.00 H new ATOM 294 N SER A 19 -1.602 5.877 -1.479 1.00 0.00 N ATOM 295 CA SER A 19 -1.845 6.553 -2.769 1.00 0.00 C ATOM 296 C SER A 19 -1.569 8.063 -2.652 1.00 0.00 C ATOM 297 O SER A 19 -1.093 8.705 -3.602 1.00 0.00 O ATOM 298 CB SER A 19 -3.299 6.310 -3.223 1.00 0.00 C ATOM 299 OG SER A 19 -3.577 4.923 -3.334 1.00 0.00 O ATOM 0 H SER A 19 -2.453 5.593 -0.993 1.00 0.00 H new ATOM 0 HA SER A 19 -1.165 6.138 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.986 6.765 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.469 6.796 -4.184 1.00 0.00 H new ATOM 0 HG SER A 19 -2.892 4.496 -3.890 1.00 0.00 H new ATOM 305 N ARG A 20 -1.861 8.622 -1.458 1.00 0.00 N ATOM 306 CA ARG A 20 -1.761 10.068 -1.197 1.00 0.00 C ATOM 307 C ARG A 20 -0.513 10.415 -0.363 1.00 0.00 C ATOM 308 O ARG A 20 -0.495 11.426 0.363 1.00 0.00 O ATOM 309 CB ARG A 20 -3.043 10.574 -0.485 1.00 0.00 C ATOM 310 CG ARG A 20 -4.366 10.349 -1.248 1.00 0.00 C ATOM 311 CD ARG A 20 -5.573 10.966 -0.509 1.00 0.00 C ATOM 312 NE ARG A 20 -6.865 10.612 -1.131 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.936 11.418 -1.212 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.864 12.682 -0.806 1.00 0.00 N ATOM 315 NH2 ARG A 20 -9.069 10.950 -1.708 1.00 0.00 N ATOM 0 H ARG A 20 -2.172 8.081 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.663 10.571 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.116 10.082 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.933 11.641 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.289 10.786 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.530 9.280 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.569 10.630 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.468 12.051 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.951 9.678 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.990 13.047 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.683 13.286 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.125 9.982 -2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.887 11.557 -1.773 1.00 0.00 H new ATOM 329 N THR A 21 0.536 9.591 -0.489 1.00 0.00 N ATOM 330 CA THR A 21 1.845 9.881 0.099 1.00 0.00 C ATOM 331 C THR A 21 2.481 11.097 -0.618 1.00 0.00 C ATOM 332 O THR A 21 2.909 11.010 -1.772 1.00 0.00 O ATOM 333 CB THR A 21 2.743 8.609 0.049 1.00 0.00 C ATOM 334 OG1 THR A 21 2.163 7.604 0.884 1.00 0.00 O ATOM 335 CG2 THR A 21 4.186 8.849 0.498 1.00 0.00 C ATOM 0 H THR A 21 0.499 8.709 -1.000 1.00 0.00 H new ATOM 0 HA THR A 21 1.736 10.150 1.150 1.00 0.00 H new ATOM 0 HB THR A 21 2.788 8.299 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.872 7.134 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.747 7.916 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.649 9.595 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.192 9.207 1.528 1.00 0.00 H new ATOM 343 N ARG A 22 2.459 12.242 0.089 1.00 0.00 N ATOM 344 CA ARG A 22 2.971 13.547 -0.398 1.00 0.00 C ATOM 345 C ARG A 22 4.504 13.518 -0.602 1.00 0.00 C ATOM 346 O ARG A 22 5.136 12.515 -0.291 1.00 0.00 O ATOM 347 CB ARG A 22 2.581 14.652 0.619 1.00 0.00 C ATOM 348 CG ARG A 22 1.062 14.732 0.907 1.00 0.00 C ATOM 349 CD ARG A 22 0.715 15.619 2.120 1.00 0.00 C ATOM 350 NE ARG A 22 1.147 15.032 3.410 1.00 0.00 N ATOM 351 CZ ARG A 22 0.329 14.468 4.326 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.971 14.328 4.093 1.00 0.00 N ATOM 353 NH2 ARG A 22 0.829 14.047 5.477 1.00 0.00 N ATOM 0 H ARG A 22 2.078 12.292 1.034 1.00 0.00 H new ATOM 0 HA ARG A 22 2.521 13.759 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.109 14.473 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.920 15.616 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.552 15.120 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.679 13.726 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.185 16.595 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.362 15.785 2.145 1.00 0.00 H new ATOM 0 HE ARG A 22 2.144 15.056 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.368 14.649 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.572 13.900 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.826 14.149 5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.218 13.620 6.173 1.00 0.00 H new ATOM 367 N LEU A 23 5.089 14.629 -1.130 1.00 0.00 N ATOM 368 CA LEU A 23 6.562 14.775 -1.305 1.00 0.00 C ATOM 369 C LEU A 23 7.255 14.574 0.048 1.00 0.00 C ATOM 370 O LEU A 23 8.132 13.718 0.192 1.00 0.00 O ATOM 371 CB LEU A 23 6.893 16.183 -1.909 1.00 0.00 C ATOM 372 CG LEU A 23 8.399 16.509 -2.270 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.491 17.702 -3.226 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.296 16.790 -1.035 1.00 0.00 C ATOM 0 H LEU A 23 4.558 15.442 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 23 6.929 14.019 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.300 16.304 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.550 16.938 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 23 8.775 15.605 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.537 17.903 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.954 17.473 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.048 18.580 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.312 17.005 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.903 17.647 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.303 15.916 -0.384 1.00 0.00 H new ATOM 386 N ARG A 24 6.847 15.414 1.007 1.00 0.00 N ATOM 387 CA ARG A 24 7.332 15.387 2.402 1.00 0.00 C ATOM 388 C ARG A 24 7.261 13.980 3.036 1.00 0.00 C ATOM 389 O ARG A 24 8.134 13.611 3.823 1.00 0.00 O ATOM 390 CB ARG A 24 6.547 16.433 3.251 1.00 0.00 C ATOM 391 CG ARG A 24 5.039 16.553 2.909 1.00 0.00 C ATOM 392 CD ARG A 24 4.307 17.572 3.803 1.00 0.00 C ATOM 393 NE ARG A 24 3.213 18.273 3.092 1.00 0.00 N ATOM 394 CZ ARG A 24 3.213 19.589 2.780 1.00 0.00 C ATOM 395 NH1 ARG A 24 4.271 20.358 3.041 1.00 0.00 N ATOM 396 NH2 ARG A 24 2.159 20.135 2.199 1.00 0.00 N ATOM 0 H ARG A 24 6.158 16.147 0.837 1.00 0.00 H new ATOM 0 HA ARG A 24 8.389 15.654 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.646 16.172 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.013 17.409 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.929 16.847 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.567 15.576 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.899 17.058 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.023 18.306 4.173 1.00 0.00 H new ATOM 0 HE ARG A 24 2.399 17.723 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.098 19.955 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.254 21.349 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.342 19.564 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.163 21.128 1.965 1.00 0.00 H new ATOM 410 N GLU A 25 6.232 13.199 2.666 1.00 0.00 N ATOM 411 CA GLU A 25 6.081 11.825 3.158 1.00 0.00 C ATOM 412 C GLU A 25 7.071 10.889 2.430 1.00 0.00 C ATOM 413 O GLU A 25 7.847 10.181 3.058 1.00 0.00 O ATOM 414 CB GLU A 25 4.625 11.321 2.964 1.00 0.00 C ATOM 415 CG GLU A 25 3.511 12.303 3.374 1.00 0.00 C ATOM 416 CD GLU A 25 3.650 12.867 4.791 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.546 12.092 5.760 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.817 14.099 4.940 1.00 0.00 O ATOM 0 H GLU A 25 5.494 13.498 2.028 1.00 0.00 H new ATOM 0 HA GLU A 25 6.303 11.818 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.487 11.064 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.500 10.402 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.497 13.132 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.549 11.797 3.291 1.00 0.00 H new ATOM 425 N LEU A 26 7.058 10.962 1.088 1.00 0.00 N ATOM 426 CA LEU A 26 7.763 10.021 0.197 1.00 0.00 C ATOM 427 C LEU A 26 9.281 10.231 0.279 1.00 0.00 C ATOM 428 O LEU A 26 10.001 9.379 0.814 1.00 0.00 O ATOM 429 CB LEU A 26 7.197 10.196 -1.258 1.00 0.00 C ATOM 430 CG LEU A 26 7.751 9.277 -2.416 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.013 9.850 -3.077 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.984 7.827 -1.936 1.00 0.00 C ATOM 0 H LEU A 26 6.550 11.688 0.583 1.00 0.00 H new ATOM 0 HA LEU A 26 7.588 8.992 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.118 10.049 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.365 11.232 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 26 6.975 9.256 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.349 9.176 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.788 10.826 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.800 9.955 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.365 7.227 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.709 7.825 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.043 7.404 -1.585 1.00 0.00 H new ATOM 444 N GLN A 27 9.743 11.396 -0.208 1.00 0.00 N ATOM 445 CA GLN A 27 11.176 11.722 -0.275 1.00 0.00 C ATOM 446 C GLN A 27 11.791 11.869 1.130 1.00 0.00 C ATOM 447 O GLN A 27 13.011 11.758 1.293 1.00 0.00 O ATOM 448 CB GLN A 27 11.418 13.002 -1.116 1.00 0.00 C ATOM 449 CG GLN A 27 10.988 12.899 -2.595 1.00 0.00 C ATOM 450 CD GLN A 27 11.555 14.026 -3.471 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.963 15.090 -3.600 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.705 13.800 -4.085 1.00 0.00 N ATOM 0 H GLN A 27 9.136 12.134 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 27 11.675 10.889 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.881 13.830 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.479 13.249 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.313 11.939 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.900 12.916 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.181 12.906 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.115 14.520 -4.680 1.00 0.00 H new ATOM 461 N GLY A 28 10.921 12.109 2.131 1.00 0.00 N ATOM 462 CA GLY A 28 11.335 12.177 3.530 1.00 0.00 C ATOM 463 C GLY A 28 11.619 10.796 4.115 1.00 0.00 C ATOM 464 O GLY A 28 12.552 10.631 4.912 1.00 0.00 O ATOM 0 H GLY A 28 9.923 12.259 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.229 12.796 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.555 12.664 4.115 1.00 0.00 H new ATOM 468 N GLN A 29 10.811 9.793 3.704 1.00 0.00 N ATOM 469 CA GLN A 29 10.997 8.389 4.125 1.00 0.00 C ATOM 470 C GLN A 29 12.250 7.814 3.463 1.00 0.00 C ATOM 471 O GLN A 29 13.006 7.098 4.100 1.00 0.00 O ATOM 472 CB GLN A 29 9.750 7.523 3.783 1.00 0.00 C ATOM 473 CG GLN A 29 8.540 7.725 4.722 1.00 0.00 C ATOM 474 CD GLN A 29 7.285 6.936 4.325 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.053 6.756 3.031 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.504 6.524 5.181 1.00 0.00 N flip ATOM 0 H GLN A 29 10.019 9.933 3.077 1.00 0.00 H new ATOM 0 HA GLN A 29 11.122 8.368 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.440 7.746 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.038 6.472 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.829 7.438 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.292 8.786 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.705 6.675 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.655 6.031 4.902 1.00 0.00 H new ATOM 485 N ILE A 30 12.459 8.167 2.183 1.00 0.00 N ATOM 486 CA ILE A 30 13.645 7.752 1.412 1.00 0.00 C ATOM 487 C ILE A 30 14.940 8.325 2.050 1.00 0.00 C ATOM 488 O ILE A 30 15.977 7.651 2.096 1.00 0.00 O ATOM 489 CB ILE A 30 13.506 8.207 -0.081 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.258 7.545 -0.755 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.786 7.903 -0.893 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.977 8.023 -2.173 1.00 0.00 C ATOM 0 H ILE A 30 11.810 8.749 1.653 1.00 0.00 H new ATOM 0 HA ILE A 30 13.714 6.664 1.434 1.00 0.00 H new ATOM 0 HB ILE A 30 13.364 9.288 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.400 6.464 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.381 7.742 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.650 8.233 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.631 8.431 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.980 6.831 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.096 7.512 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.799 9.098 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.834 7.801 -2.808 1.00 0.00 H new ATOM 504 N ALA A 31 14.845 9.561 2.576 1.00 0.00 N ATOM 505 CA ALA A 31 15.938 10.211 3.336 1.00 0.00 C ATOM 506 C ALA A 31 16.278 9.427 4.623 1.00 0.00 C ATOM 507 O ALA A 31 17.407 9.488 5.121 1.00 0.00 O ATOM 508 CB ALA A 31 15.552 11.663 3.661 1.00 0.00 C ATOM 0 H ALA A 31 14.010 10.140 2.488 1.00 0.00 H new ATOM 0 HA ALA A 31 16.835 10.213 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.359 12.137 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.382 12.211 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.641 11.672 4.260 1.00 0.00 H new ATOM 514 N ALA A 32 15.278 8.691 5.140 1.00 0.00 N ATOM 515 CA ALA A 32 15.415 7.843 6.339 1.00 0.00 C ATOM 516 C ALA A 32 15.837 6.397 5.975 1.00 0.00 C ATOM 517 O ALA A 32 16.397 5.684 6.815 1.00 0.00 O ATOM 518 CB ALA A 32 14.092 7.846 7.123 1.00 0.00 C ATOM 0 H ALA A 32 14.343 8.668 4.734 1.00 0.00 H new ATOM 0 HA ALA A 32 16.206 8.257 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.193 7.219 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.850 8.865 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.294 7.456 6.491 1.00 0.00 H new ATOM 524 N ILE A 33 15.559 5.979 4.723 1.00 0.00 N ATOM 525 CA ILE A 33 15.891 4.626 4.224 1.00 0.00 C ATOM 526 C ILE A 33 17.363 4.570 3.761 1.00 0.00 C ATOM 527 O ILE A 33 18.215 3.983 4.428 1.00 0.00 O ATOM 528 CB ILE A 33 14.936 4.228 3.024 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.444 4.102 3.475 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.398 2.939 2.306 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.083 2.852 4.266 1.00 0.00 C ATOM 0 H ILE A 33 15.099 6.568 4.029 1.00 0.00 H new ATOM 0 HA ILE A 33 15.748 3.916 5.039 1.00 0.00 H new ATOM 0 HB ILE A 33 15.001 5.046 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.194 4.974 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.813 4.139 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.710 2.710 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.400 3.086 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.409 2.112 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.024 2.877 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.290 1.968 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.677 2.815 5.179 1.00 0.00 H new ATOM 543 N THR A 34 17.651 5.248 2.638 1.00 0.00 N ATOM 544 CA THR A 34 18.949 5.152 1.937 1.00 0.00 C ATOM 545 C THR A 34 19.881 6.317 2.314 1.00 0.00 C ATOM 546 O THR A 34 21.061 6.321 1.942 1.00 0.00 O ATOM 547 CB THR A 34 18.727 5.084 0.386 1.00 0.00 C ATOM 548 OG1 THR A 34 19.981 5.100 -0.325 1.00 0.00 O ATOM 549 CG2 THR A 34 17.828 6.224 -0.112 1.00 0.00 C ATOM 0 H THR A 34 16.991 5.881 2.187 1.00 0.00 H new ATOM 0 HA THR A 34 19.438 4.232 2.256 1.00 0.00 H new ATOM 0 HB THR A 34 18.223 4.139 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.663 5.539 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.699 6.141 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.855 6.160 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.290 7.182 0.125 1.00 0.00 H new ATOM 557 N GLY A 35 19.340 7.292 3.059 1.00 0.00 N ATOM 558 CA GLY A 35 20.104 8.456 3.496 1.00 0.00 C ATOM 559 C GLY A 35 20.327 9.475 2.396 1.00 0.00 C ATOM 560 O GLY A 35 21.249 10.293 2.496 1.00 0.00 O ATOM 0 H GLY A 35 18.369 7.291 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.582 8.935 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.070 8.125 3.877 1.00 0.00 H new ATOM 564 N ILE A 36 19.506 9.417 1.322 1.00 0.00 N ATOM 565 CA ILE A 36 19.520 10.444 0.274 1.00 0.00 C ATOM 566 C ILE A 36 18.365 11.422 0.558 1.00 0.00 C ATOM 567 O ILE A 36 17.189 11.062 0.398 1.00 0.00 O ATOM 568 CB ILE A 36 19.368 9.876 -1.196 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.198 8.570 -1.453 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.774 10.961 -2.214 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.692 8.669 -1.185 1.00 0.00 C ATOM 0 H ILE A 36 18.830 8.669 1.166 1.00 0.00 H new ATOM 0 HA ILE A 36 20.496 10.927 0.308 1.00 0.00 H new ATOM 0 HB ILE A 36 18.319 9.605 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.789 7.774 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.054 8.269 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.669 10.569 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.130 11.832 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.811 11.250 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 36 22.164 7.709 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.127 9.436 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.858 8.933 -0.140 1.00 0.00 H new ATOM 583 N ALA A 37 18.720 12.637 0.999 1.00 0.00 N ATOM 584 CA ALA A 37 17.769 13.705 1.362 1.00 0.00 C ATOM 585 C ALA A 37 16.884 14.127 0.169 1.00 0.00 C ATOM 586 O ALA A 37 17.309 13.963 -0.967 1.00 0.00 O ATOM 587 CB ALA A 37 18.572 14.892 1.903 1.00 0.00 C ATOM 0 H ALA A 37 19.695 12.913 1.117 1.00 0.00 H new ATOM 0 HA ALA A 37 17.086 13.333 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.891 15.697 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.138 14.579 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.260 15.246 1.135 1.00 0.00 H new ATOM 593 N PRO A 38 15.649 14.693 0.415 1.00 0.00 N ATOM 594 CA PRO A 38 14.669 15.031 -0.662 1.00 0.00 C ATOM 595 C PRO A 38 15.219 15.976 -1.762 1.00 0.00 C ATOM 596 O PRO A 38 14.804 15.887 -2.919 1.00 0.00 O ATOM 597 CB PRO A 38 13.493 15.698 0.111 1.00 0.00 C ATOM 598 CG PRO A 38 14.081 16.108 1.425 1.00 0.00 C ATOM 599 CD PRO A 38 15.089 15.040 1.755 1.00 0.00 C ATOM 0 HA PRO A 38 14.388 14.138 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.100 16.558 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.665 15.002 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.553 17.088 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.313 16.177 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.860 15.406 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.624 14.179 2.235 1.00 0.00 H new ATOM 607 N GLY A 39 16.142 16.875 -1.380 1.00 0.00 N ATOM 608 CA GLY A 39 16.784 17.809 -2.326 1.00 0.00 C ATOM 609 C GLY A 39 18.071 17.264 -2.933 1.00 0.00 C ATOM 610 O GLY A 39 18.765 17.967 -3.667 1.00 0.00 O ATOM 0 H GLY A 39 16.463 16.976 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.083 18.042 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.001 18.745 -1.811 1.00 0.00 H new ATOM 614 N SER A 40 18.401 16.018 -2.585 1.00 0.00 N ATOM 615 CA SER A 40 19.529 15.270 -3.161 1.00 0.00 C ATOM 616 C SER A 40 19.007 14.163 -4.110 1.00 0.00 C ATOM 617 O SER A 40 19.797 13.460 -4.732 1.00 0.00 O ATOM 618 CB SER A 40 20.380 14.641 -2.032 1.00 0.00 C ATOM 619 OG SER A 40 20.784 15.608 -1.076 1.00 0.00 O ATOM 0 H SER A 40 17.885 15.488 -1.883 1.00 0.00 H new ATOM 0 HA SER A 40 20.152 15.959 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.805 13.858 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.261 14.166 -2.463 1.00 0.00 H new ATOM 0 HG SER A 40 21.318 15.175 -0.378 1.00 0.00 H new ATOM 625 N GLN A 41 17.669 14.017 -4.211 1.00 0.00 N ATOM 626 CA GLN A 41 17.042 12.948 -5.016 1.00 0.00 C ATOM 627 C GLN A 41 15.751 13.420 -5.681 1.00 0.00 C ATOM 628 O GLN A 41 15.163 14.430 -5.282 1.00 0.00 O ATOM 629 CB GLN A 41 16.762 11.701 -4.144 1.00 0.00 C ATOM 630 CG GLN A 41 15.963 11.974 -2.841 1.00 0.00 C ATOM 631 CD GLN A 41 14.615 11.272 -2.746 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.952 10.996 -3.746 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.173 11.038 -1.531 1.00 0.00 N ATOM 0 H GLN A 41 17.000 14.629 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 41 17.747 12.683 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.213 10.974 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.714 11.241 -3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.573 11.671 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.802 13.048 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.748 11.279 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.255 10.615 -1.395 1.00 0.00 H new ATOM 642 N ARG A 42 15.329 12.653 -6.700 1.00 0.00 N ATOM 643 CA ARG A 42 14.098 12.886 -7.491 1.00 0.00 C ATOM 644 C ARG A 42 13.496 11.523 -7.891 1.00 0.00 C ATOM 645 O ARG A 42 14.012 10.467 -7.499 1.00 0.00 O ATOM 646 CB ARG A 42 14.409 13.767 -8.743 1.00 0.00 C ATOM 647 CG ARG A 42 14.773 15.236 -8.406 1.00 0.00 C ATOM 648 CD ARG A 42 15.516 15.965 -9.532 1.00 0.00 C ATOM 649 NE ARG A 42 14.682 16.236 -10.718 1.00 0.00 N ATOM 650 CZ ARG A 42 15.008 17.104 -11.696 1.00 0.00 C ATOM 651 NH1 ARG A 42 16.154 17.774 -11.674 1.00 0.00 N ATOM 652 NH2 ARG A 42 14.183 17.304 -12.698 1.00 0.00 N ATOM 0 H ARG A 42 15.846 11.830 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 42 13.369 13.430 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.234 13.317 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.542 13.761 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.859 15.783 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.390 15.250 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.902 16.909 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.376 15.367 -9.833 1.00 0.00 H new ATOM 0 HE ARG A 42 13.799 15.733 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.810 17.637 -10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.378 18.426 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.296 16.802 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.430 17.961 -13.438 1.00 0.00 H new ATOM 666 N ILE A 43 12.409 11.554 -8.682 1.00 0.00 N ATOM 667 CA ILE A 43 11.647 10.345 -9.050 1.00 0.00 C ATOM 668 C ILE A 43 11.940 9.973 -10.504 1.00 0.00 C ATOM 669 O ILE A 43 11.578 10.709 -11.425 1.00 0.00 O ATOM 670 CB ILE A 43 10.097 10.570 -8.819 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.792 10.701 -7.294 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.222 9.461 -9.460 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.224 9.504 -6.457 1.00 0.00 C ATOM 0 H ILE A 43 12.034 12.414 -9.083 1.00 0.00 H new ATOM 0 HA ILE A 43 11.959 9.519 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 43 9.833 11.500 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.289 11.593 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.721 10.852 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.170 9.671 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.396 9.436 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.484 8.495 -9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.973 9.682 -5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.708 8.610 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.300 9.362 -6.553 1.00 0.00 H new ATOM 685 N LEU A 44 12.651 8.853 -10.703 1.00 0.00 N ATOM 686 CA LEU A 44 12.962 8.324 -12.042 1.00 0.00 C ATOM 687 C LEU A 44 12.400 6.901 -12.171 1.00 0.00 C ATOM 688 O LEU A 44 12.134 6.241 -11.164 1.00 0.00 O ATOM 689 CB LEU A 44 14.494 8.341 -12.323 1.00 0.00 C ATOM 690 CG LEU A 44 15.231 9.730 -12.252 1.00 0.00 C ATOM 691 CD1 LEU A 44 14.471 10.816 -13.035 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.530 10.176 -10.800 1.00 0.00 C ATOM 0 H LEU A 44 13.027 8.288 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 44 12.493 8.967 -12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.974 7.669 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.658 7.924 -13.316 1.00 0.00 H new ATOM 0 HG LEU A 44 16.198 9.590 -12.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.010 11.761 -12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.392 10.522 -14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.472 10.935 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.039 11.140 -10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.595 10.267 -10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.167 9.436 -10.316 1.00 0.00 H new ATOM 704 N VAL A 45 12.229 6.437 -13.418 1.00 0.00 N ATOM 705 CA VAL A 45 11.588 5.137 -13.733 1.00 0.00 C ATOM 706 C VAL A 45 12.432 4.331 -14.740 1.00 0.00 C ATOM 707 O VAL A 45 13.419 4.837 -15.285 1.00 0.00 O ATOM 708 CB VAL A 45 10.125 5.344 -14.289 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.117 5.653 -13.157 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.104 6.461 -15.371 1.00 0.00 C ATOM 0 H VAL A 45 12.531 6.951 -14.246 1.00 0.00 H new ATOM 0 HA VAL A 45 11.526 4.570 -12.804 1.00 0.00 H new ATOM 0 HB VAL A 45 9.814 4.407 -14.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.123 5.789 -13.582 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.099 4.824 -12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.418 6.564 -12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.087 6.589 -15.742 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.451 7.397 -14.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.759 6.181 -16.196 1.00 0.00 H new ATOM 720 N GLY A 46 12.005 3.076 -14.990 1.00 0.00 N ATOM 721 CA GLY A 46 12.741 2.137 -15.845 1.00 0.00 C ATOM 722 C GLY A 46 12.555 2.389 -17.342 1.00 0.00 C ATOM 723 O GLY A 46 13.161 1.699 -18.165 1.00 0.00 O ATOM 0 H GLY A 46 11.143 2.691 -14.604 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.803 2.197 -15.605 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.419 1.121 -15.614 1.00 0.00 H new ATOM 727 N TYR A 47 11.680 3.344 -17.694 1.00 0.00 N ATOM 728 CA TYR A 47 11.506 3.845 -19.075 1.00 0.00 C ATOM 729 C TYR A 47 11.974 5.323 -19.111 1.00 0.00 C ATOM 730 O TYR A 47 12.123 5.912 -18.031 1.00 0.00 O ATOM 731 CB TYR A 47 10.022 3.666 -19.518 1.00 0.00 C ATOM 732 CG TYR A 47 8.965 4.421 -18.685 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.602 5.736 -19.000 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.308 3.813 -17.609 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.634 6.411 -18.278 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.338 4.487 -16.883 1.00 0.00 C ATOM 737 CZ TYR A 47 7.005 5.786 -17.222 1.00 0.00 C ATOM 738 OH TYR A 47 6.039 6.460 -16.504 1.00 0.00 O ATOM 0 H TYR A 47 11.063 3.799 -17.021 1.00 0.00 H new ATOM 0 HA TYR A 47 12.109 3.279 -19.785 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.933 3.987 -20.556 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.783 2.603 -19.492 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.089 6.235 -19.825 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.562 2.799 -17.339 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.372 7.425 -18.541 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.844 3.999 -16.056 1.00 0.00 H new ATOM 0 HH TYR A 47 5.694 5.879 -15.795 1.00 0.00 H new ATOM 748 N PRO A 48 12.252 5.939 -20.325 1.00 0.00 N ATOM 749 CA PRO A 48 12.761 7.342 -20.426 1.00 0.00 C ATOM 750 C PRO A 48 11.895 8.352 -19.608 1.00 0.00 C ATOM 751 O PRO A 48 10.747 8.621 -19.981 1.00 0.00 O ATOM 752 CB PRO A 48 12.724 7.650 -21.961 1.00 0.00 C ATOM 753 CG PRO A 48 11.883 6.551 -22.557 1.00 0.00 C ATOM 754 CD PRO A 48 12.117 5.340 -21.683 1.00 0.00 C ATOM 0 HA PRO A 48 13.760 7.445 -20.003 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.290 8.630 -22.157 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.727 7.655 -22.387 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.829 6.827 -22.570 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.173 6.352 -23.589 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.286 4.636 -21.735 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.014 4.796 -21.977 1.00 0.00 H new ATOM 762 N PRO A 49 12.427 8.904 -18.461 1.00 0.00 N ATOM 763 CA PRO A 49 11.700 9.887 -17.638 1.00 0.00 C ATOM 764 C PRO A 49 11.843 11.324 -18.185 1.00 0.00 C ATOM 765 O PRO A 49 12.664 11.595 -19.077 1.00 0.00 O ATOM 766 CB PRO A 49 12.379 9.724 -16.253 1.00 0.00 C ATOM 767 CG PRO A 49 13.810 9.407 -16.583 1.00 0.00 C ATOM 768 CD PRO A 49 13.770 8.597 -17.872 1.00 0.00 C ATOM 0 HA PRO A 49 10.623 9.720 -17.617 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.299 10.635 -15.660 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.917 8.925 -15.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.393 10.319 -16.713 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.280 8.840 -15.779 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.576 8.884 -18.548 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.884 7.531 -17.676 1.00 0.00 H new ATOM 776 N GLU A 50 11.043 12.241 -17.621 1.00 0.00 N ATOM 777 CA GLU A 50 11.087 13.682 -17.950 1.00 0.00 C ATOM 778 C GLU A 50 12.109 14.428 -17.068 1.00 0.00 C ATOM 779 O GLU A 50 12.224 15.654 -17.169 1.00 0.00 O ATOM 780 CB GLU A 50 9.670 14.302 -17.743 1.00 0.00 C ATOM 781 CG GLU A 50 8.569 13.711 -18.641 1.00 0.00 C ATOM 782 CD GLU A 50 8.828 13.927 -20.146 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.704 15.075 -20.617 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.172 12.957 -20.859 1.00 0.00 O ATOM 0 H GLU A 50 10.341 12.007 -16.919 1.00 0.00 H new ATOM 0 HA GLU A 50 11.396 13.787 -18.990 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.379 14.169 -16.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.729 15.375 -17.923 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.484 12.642 -18.444 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.613 14.162 -18.376 1.00 0.00 H new ATOM 791 N CYS A 51 12.878 13.667 -16.239 1.00 0.00 N ATOM 792 CA CYS A 51 13.555 14.188 -15.040 1.00 0.00 C ATOM 793 C CYS A 51 12.498 14.835 -14.127 1.00 0.00 C ATOM 794 O CYS A 51 12.253 16.046 -14.199 1.00 0.00 O ATOM 795 CB CYS A 51 14.716 15.165 -15.373 1.00 0.00 C ATOM 796 SG CYS A 51 16.119 14.400 -16.207 1.00 0.00 S ATOM 0 H CYS A 51 13.039 12.672 -16.394 1.00 0.00 H new ATOM 0 HA CYS A 51 14.032 13.357 -14.520 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.330 15.968 -16.001 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.065 15.624 -14.448 1.00 0.00 H new ATOM 0 HG CYS A 51 17.028 15.299 -16.441 1.00 0.00 H new ATOM 802 N LEU A 52 11.821 13.997 -13.322 1.00 0.00 N ATOM 803 CA LEU A 52 10.677 14.433 -12.509 1.00 0.00 C ATOM 804 C LEU A 52 11.157 15.234 -11.291 1.00 0.00 C ATOM 805 O LEU A 52 11.587 14.668 -10.281 1.00 0.00 O ATOM 806 CB LEU A 52 9.814 13.218 -12.091 1.00 0.00 C ATOM 807 CG LEU A 52 9.211 12.389 -13.273 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.519 11.109 -12.769 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.240 13.247 -14.122 1.00 0.00 C ATOM 0 H LEU A 52 12.050 13.008 -13.219 1.00 0.00 H new ATOM 0 HA LEU A 52 10.049 15.091 -13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.423 12.555 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.997 13.572 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 52 10.039 12.086 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.112 10.558 -13.617 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.244 10.486 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.711 11.376 -12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.837 12.643 -14.935 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.423 13.601 -13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.776 14.101 -14.535 1.00 0.00 H new ATOM 821 N ASP A 53 11.151 16.561 -11.456 1.00 0.00 N ATOM 822 CA ASP A 53 11.373 17.524 -10.383 1.00 0.00 C ATOM 823 C ASP A 53 10.054 17.709 -9.628 1.00 0.00 C ATOM 824 O ASP A 53 9.064 18.201 -10.194 1.00 0.00 O ATOM 825 CB ASP A 53 11.864 18.880 -10.965 1.00 0.00 C ATOM 826 CG ASP A 53 12.062 19.967 -9.893 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.020 19.861 -9.102 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.248 20.917 -9.819 1.00 0.00 O ATOM 0 H ASP A 53 10.988 17.001 -12.362 1.00 0.00 H new ATOM 0 HA ASP A 53 12.142 17.157 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.806 18.722 -11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.143 19.233 -11.702 1.00 0.00 H new ATOM 833 N LEU A 54 10.032 17.286 -8.369 1.00 0.00 N ATOM 834 CA LEU A 54 8.862 17.423 -7.510 1.00 0.00 C ATOM 835 C LEU A 54 8.819 18.873 -6.988 1.00 0.00 C ATOM 836 O LEU A 54 9.369 19.180 -5.930 1.00 0.00 O ATOM 837 CB LEU A 54 8.904 16.386 -6.360 1.00 0.00 C ATOM 838 CG LEU A 54 8.936 14.865 -6.751 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.342 14.409 -7.211 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.426 13.977 -5.590 1.00 0.00 C ATOM 0 H LEU A 54 10.827 16.837 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 54 7.949 17.221 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.784 16.595 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.032 16.552 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 54 8.261 14.744 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.314 13.351 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.645 14.989 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.058 14.566 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.460 12.930 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.059 14.124 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.400 14.251 -5.346 1.00 0.00 H new ATOM 852 N SER A 55 8.230 19.763 -7.805 1.00 0.00 N ATOM 853 CA SER A 55 8.214 21.214 -7.556 1.00 0.00 C ATOM 854 C SER A 55 7.355 21.565 -6.331 1.00 0.00 C ATOM 855 O SER A 55 7.807 22.274 -5.419 1.00 0.00 O ATOM 856 CB SER A 55 7.699 21.945 -8.820 1.00 0.00 C ATOM 857 OG SER A 55 6.437 21.444 -9.238 1.00 0.00 O ATOM 0 H SER A 55 7.748 19.493 -8.663 1.00 0.00 H new ATOM 0 HA SER A 55 9.230 21.543 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.617 23.012 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.422 21.830 -9.627 1.00 0.00 H new ATOM 0 HG SER A 55 6.141 21.929 -10.037 1.00 0.00 H new ATOM 863 N ASP A 56 6.124 21.039 -6.320 1.00 0.00 N ATOM 864 CA ASP A 56 5.143 21.298 -5.256 1.00 0.00 C ATOM 865 C ASP A 56 5.499 20.481 -3.997 1.00 0.00 C ATOM 866 O ASP A 56 6.188 19.476 -4.089 1.00 0.00 O ATOM 867 CB ASP A 56 3.723 20.957 -5.771 1.00 0.00 C ATOM 868 CG ASP A 56 2.602 21.420 -4.824 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.212 22.600 -4.899 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.136 20.618 -3.988 1.00 0.00 O ATOM 0 H ASP A 56 5.778 20.419 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 56 5.165 22.353 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.578 21.419 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.646 19.879 -5.914 1.00 0.00 H new ATOM 875 N ARG A 57 5.018 20.927 -2.835 1.00 0.00 N ATOM 876 CA ARG A 57 5.369 20.354 -1.507 1.00 0.00 C ATOM 877 C ARG A 57 4.369 19.262 -1.071 1.00 0.00 C ATOM 878 O ARG A 57 4.732 18.276 -0.412 1.00 0.00 O ATOM 879 CB ARG A 57 5.391 21.512 -0.470 1.00 0.00 C ATOM 880 CG ARG A 57 4.036 22.263 -0.334 1.00 0.00 C ATOM 881 CD ARG A 57 4.143 23.622 0.367 1.00 0.00 C ATOM 882 NE ARG A 57 2.816 24.253 0.521 1.00 0.00 N ATOM 883 CZ ARG A 57 2.172 24.971 -0.420 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.691 25.150 -1.628 1.00 0.00 N ATOM 885 NH2 ARG A 57 0.993 25.510 -0.141 1.00 0.00 N ATOM 0 H ARG A 57 4.363 21.707 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 57 6.348 19.879 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.671 21.109 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.164 22.226 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.613 22.411 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.338 21.634 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.602 23.493 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.796 24.279 -0.207 1.00 0.00 H new ATOM 0 HE ARG A 57 2.346 24.135 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.596 24.740 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.185 25.697 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.578 25.380 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.501 26.055 -0.849 1.00 0.00 H new ATOM 899 N ASP A 58 3.104 19.471 -1.444 1.00 0.00 N ATOM 900 CA ASP A 58 1.955 18.645 -1.030 1.00 0.00 C ATOM 901 C ASP A 58 1.663 17.557 -2.089 1.00 0.00 C ATOM 902 O ASP A 58 0.778 16.715 -1.902 1.00 0.00 O ATOM 903 CB ASP A 58 0.740 19.609 -0.824 1.00 0.00 C ATOM 904 CG ASP A 58 -0.406 19.031 0.021 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.148 18.619 1.171 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.565 19.001 -0.445 1.00 0.00 O ATOM 0 H ASP A 58 2.838 20.240 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 58 2.163 18.117 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.096 20.524 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.347 19.889 -1.801 1.00 0.00 H new ATOM 911 N ILE A 59 2.439 17.595 -3.196 1.00 0.00 N ATOM 912 CA ILE A 59 2.268 16.719 -4.370 1.00 0.00 C ATOM 913 C ILE A 59 2.433 15.219 -4.002 1.00 0.00 C ATOM 914 O ILE A 59 3.369 14.848 -3.296 1.00 0.00 O ATOM 915 CB ILE A 59 3.272 17.153 -5.507 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.925 16.489 -6.865 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.753 16.885 -5.119 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.775 16.952 -8.041 1.00 0.00 C ATOM 0 H ILE A 59 3.215 18.249 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 59 1.249 16.834 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 59 3.158 18.231 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.030 15.409 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.878 16.687 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.405 17.200 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.000 17.446 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.893 15.820 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.458 16.433 -8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.652 18.026 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.823 16.729 -7.842 1.00 0.00 H new ATOM 930 N THR A 60 1.506 14.369 -4.481 1.00 0.00 N ATOM 931 CA THR A 60 1.384 12.961 -4.030 1.00 0.00 C ATOM 932 C THR A 60 1.838 11.951 -5.104 1.00 0.00 C ATOM 933 O THR A 60 2.268 12.332 -6.199 1.00 0.00 O ATOM 934 CB THR A 60 -0.088 12.649 -3.617 1.00 0.00 C ATOM 935 OG1 THR A 60 -0.965 12.788 -4.749 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.572 13.564 -2.481 1.00 0.00 C ATOM 0 H THR A 60 0.821 14.633 -5.189 1.00 0.00 H new ATOM 0 HA THR A 60 2.046 12.851 -3.171 1.00 0.00 H new ATOM 0 HB THR A 60 -0.110 11.620 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.496 13.256 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.601 13.313 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.064 13.426 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.522 14.604 -2.805 1.00 0.00 H new ATOM 944 N LEU A 61 1.710 10.643 -4.771 1.00 0.00 N ATOM 945 CA LEU A 61 2.033 9.525 -5.688 1.00 0.00 C ATOM 946 C LEU A 61 0.950 9.329 -6.765 1.00 0.00 C ATOM 947 O LEU A 61 1.125 8.533 -7.695 1.00 0.00 O ATOM 948 CB LEU A 61 2.216 8.217 -4.886 1.00 0.00 C ATOM 949 CG LEU A 61 3.227 8.278 -3.709 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.388 6.899 -3.044 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.585 8.853 -4.151 1.00 0.00 C ATOM 0 H LEU A 61 1.379 10.334 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 61 2.963 9.779 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.245 7.917 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.535 7.434 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 61 2.819 8.961 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.102 6.972 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.424 6.566 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.752 6.181 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.264 8.879 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.009 8.224 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.445 9.864 -4.534 1.00 0.00 H new ATOM 963 N GLY A 62 -0.190 10.027 -6.597 1.00 0.00 N ATOM 964 CA GLY A 62 -1.201 10.126 -7.648 1.00 0.00 C ATOM 965 C GLY A 62 -0.692 10.929 -8.844 1.00 0.00 C ATOM 966 O GLY A 62 -1.160 10.750 -9.970 1.00 0.00 O ATOM 0 H GLY A 62 -0.427 10.528 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.486 9.126 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.098 10.598 -7.247 1.00 0.00 H new ATOM 970 N ASP A 63 0.287 11.818 -8.576 1.00 0.00 N ATOM 971 CA ASP A 63 0.915 12.686 -9.584 1.00 0.00 C ATOM 972 C ASP A 63 2.154 11.992 -10.171 1.00 0.00 C ATOM 973 O ASP A 63 2.232 11.758 -11.383 1.00 0.00 O ATOM 974 CB ASP A 63 1.331 14.028 -8.935 1.00 0.00 C ATOM 975 CG ASP A 63 0.163 14.767 -8.261 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.166 14.445 -7.101 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.429 15.666 -8.894 1.00 0.00 O ATOM 0 H ASP A 63 0.666 11.952 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 63 0.199 12.879 -10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.108 13.840 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.767 14.673 -9.698 1.00 0.00 H new ATOM 982 N LEU A 64 3.121 11.670 -9.284 1.00 0.00 N ATOM 983 CA LEU A 64 4.387 11.019 -9.670 1.00 0.00 C ATOM 984 C LEU A 64 4.134 9.512 -9.910 1.00 0.00 C ATOM 985 O LEU A 64 3.515 8.878 -9.058 1.00 0.00 O ATOM 986 CB LEU A 64 5.493 11.203 -8.581 1.00 0.00 C ATOM 987 CG LEU A 64 6.032 12.648 -8.324 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.450 13.355 -9.633 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.049 13.502 -7.501 1.00 0.00 C ATOM 0 H LEU A 64 3.044 11.854 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 64 4.745 11.492 -10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.102 10.819 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.340 10.574 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 64 6.933 12.537 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.818 14.355 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.238 12.781 -10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.589 13.428 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.469 14.496 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.103 13.586 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.878 13.029 -6.534 1.00 0.00 H new ATOM 1001 N PRO A 65 4.585 8.929 -11.076 1.00 0.00 N ATOM 1002 CA PRO A 65 4.419 7.482 -11.402 1.00 0.00 C ATOM 1003 C PRO A 65 5.159 6.524 -10.427 1.00 0.00 C ATOM 1004 O PRO A 65 6.256 6.021 -10.718 1.00 0.00 O ATOM 1005 CB PRO A 65 4.967 7.360 -12.859 1.00 0.00 C ATOM 1006 CG PRO A 65 4.946 8.763 -13.390 1.00 0.00 C ATOM 1007 CD PRO A 65 5.239 9.645 -12.198 1.00 0.00 C ATOM 0 HA PRO A 65 3.377 7.177 -11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.976 6.947 -12.870 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.345 6.698 -13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.693 8.899 -14.173 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.977 9.003 -13.828 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.311 9.757 -12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.830 10.647 -12.329 1.00 0.00 H new ATOM 1015 N ILE A 66 4.549 6.321 -9.252 1.00 0.00 N ATOM 1016 CA ILE A 66 4.931 5.292 -8.281 1.00 0.00 C ATOM 1017 C ILE A 66 3.823 4.236 -8.341 1.00 0.00 C ATOM 1018 O ILE A 66 2.683 4.501 -7.945 1.00 0.00 O ATOM 1019 CB ILE A 66 5.092 5.865 -6.802 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.422 6.676 -6.610 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.024 4.746 -5.738 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.496 7.995 -7.337 1.00 0.00 C ATOM 0 H ILE A 66 3.756 6.883 -8.944 1.00 0.00 H new ATOM 0 HA ILE A 66 5.909 4.880 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 66 4.251 6.544 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.562 6.861 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.255 6.054 -6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.138 5.181 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.061 4.239 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.825 4.028 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.456 8.469 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.394 7.826 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.691 8.645 -6.994 1.00 0.00 H new ATOM 1034 N GLN A 67 4.140 3.066 -8.903 1.00 0.00 N ATOM 1035 CA GLN A 67 3.160 1.981 -9.107 1.00 0.00 C ATOM 1036 C GLN A 67 3.364 0.882 -8.049 1.00 0.00 C ATOM 1037 O GLN A 67 4.467 0.734 -7.510 1.00 0.00 O ATOM 1038 CB GLN A 67 3.295 1.421 -10.549 1.00 0.00 C ATOM 1039 CG GLN A 67 3.188 2.483 -11.664 1.00 0.00 C ATOM 1040 CD GLN A 67 1.822 3.181 -11.733 1.00 0.00 C ATOM 1041 OE1 GLN A 67 1.606 4.229 -11.120 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.883 2.594 -12.467 1.00 0.00 N ATOM 0 H GLN A 67 5.079 2.839 -9.231 1.00 0.00 H new ATOM 0 HA GLN A 67 2.149 2.370 -8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.256 0.914 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.522 0.669 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.962 3.235 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.391 2.009 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.091 1.727 -12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.046 3.010 -12.534 1.00 0.00 H new ATOM 1051 N SER A 68 2.295 0.124 -7.764 1.00 0.00 N ATOM 1052 CA SER A 68 2.280 -0.908 -6.716 1.00 0.00 C ATOM 1053 C SER A 68 3.294 -2.048 -7.013 1.00 0.00 C ATOM 1054 O SER A 68 3.033 -2.922 -7.850 1.00 0.00 O ATOM 1055 CB SER A 68 0.835 -1.442 -6.569 1.00 0.00 C ATOM 1056 OG SER A 68 0.299 -1.842 -7.825 1.00 0.00 O ATOM 0 H SER A 68 1.408 0.211 -8.259 1.00 0.00 H new ATOM 0 HA SER A 68 2.597 -0.467 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.826 -2.288 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.203 -0.669 -6.131 1.00 0.00 H new ATOM 0 HG SER A 68 0.981 -2.332 -8.330 1.00 0.00 H new ATOM 1062 N GLY A 69 4.462 -2.000 -6.337 1.00 0.00 N ATOM 1063 CA GLY A 69 5.543 -2.968 -6.565 1.00 0.00 C ATOM 1064 C GLY A 69 6.361 -2.649 -7.806 1.00 0.00 C ATOM 1065 O GLY A 69 6.646 -3.536 -8.615 1.00 0.00 O ATOM 0 H GLY A 69 4.675 -1.298 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.200 -2.985 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.117 -3.967 -6.662 1.00 0.00 H new ATOM 1069 N ASP A 70 6.738 -1.371 -7.957 1.00 0.00 N ATOM 1070 CA ASP A 70 7.471 -0.875 -9.142 1.00 0.00 C ATOM 1071 C ASP A 70 8.919 -0.510 -8.763 1.00 0.00 C ATOM 1072 O ASP A 70 9.274 -0.483 -7.573 1.00 0.00 O ATOM 1073 CB ASP A 70 6.715 0.343 -9.736 1.00 0.00 C ATOM 1074 CG ASP A 70 7.044 0.629 -11.208 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.515 -0.094 -12.088 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.847 1.539 -11.495 1.00 0.00 O ATOM 0 H ASP A 70 6.546 -0.648 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 70 7.520 -1.657 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.643 0.173 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.951 1.227 -9.144 1.00 0.00 H new ATOM 1081 N MET A 71 9.750 -0.251 -9.785 1.00 0.00 N ATOM 1082 CA MET A 71 11.162 0.120 -9.604 1.00 0.00 C ATOM 1083 C MET A 71 11.335 1.632 -9.792 1.00 0.00 C ATOM 1084 O MET A 71 11.316 2.142 -10.922 1.00 0.00 O ATOM 1085 CB MET A 71 12.061 -0.654 -10.603 1.00 0.00 C ATOM 1086 CG MET A 71 13.588 -0.443 -10.447 1.00 0.00 C ATOM 1087 SD MET A 71 14.321 -1.300 -9.025 1.00 0.00 S ATOM 1088 CE MET A 71 13.971 -0.202 -7.658 1.00 0.00 C ATOM 0 H MET A 71 9.461 -0.293 -10.762 1.00 0.00 H new ATOM 0 HA MET A 71 11.466 -0.147 -8.592 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.849 -1.718 -10.502 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.776 -0.367 -11.615 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.084 -0.783 -11.356 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.788 0.625 -10.355 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.858 -0.105 -7.032 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.689 0.778 -8.042 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.152 -0.609 -7.065 1.00 0.00 H new ATOM 1098 N LEU A 72 11.482 2.344 -8.672 1.00 0.00 N ATOM 1099 CA LEU A 72 11.657 3.810 -8.656 1.00 0.00 C ATOM 1100 C LEU A 72 13.114 4.152 -8.330 1.00 0.00 C ATOM 1101 O LEU A 72 13.596 3.870 -7.233 1.00 0.00 O ATOM 1102 CB LEU A 72 10.672 4.479 -7.647 1.00 0.00 C ATOM 1103 CG LEU A 72 9.247 4.815 -8.200 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.324 5.854 -9.333 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.485 3.562 -8.669 1.00 0.00 C ATOM 0 H LEU A 72 11.484 1.924 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 72 11.422 4.207 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.560 3.819 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.126 5.401 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 72 8.685 5.242 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.320 6.069 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.777 6.771 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.930 5.459 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.503 3.852 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.046 3.072 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.366 2.874 -7.832 1.00 0.00 H new ATOM 1117 N ILE A 73 13.810 4.756 -9.303 1.00 0.00 N ATOM 1118 CA ILE A 73 15.230 5.094 -9.195 1.00 0.00 C ATOM 1119 C ILE A 73 15.393 6.424 -8.423 1.00 0.00 C ATOM 1120 O ILE A 73 15.012 7.495 -8.911 1.00 0.00 O ATOM 1121 CB ILE A 73 15.936 5.168 -10.615 1.00 0.00 C ATOM 1122 CG1 ILE A 73 15.935 3.773 -11.356 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.390 5.699 -10.488 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.587 3.284 -11.867 1.00 0.00 C ATOM 0 H ILE A 73 13.396 5.025 -10.195 1.00 0.00 H new ATOM 0 HA ILE A 73 15.726 4.297 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 73 15.354 5.866 -11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.620 3.834 -12.201 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.336 3.023 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.850 5.740 -11.475 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.376 6.698 -10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.966 5.032 -9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.712 2.318 -12.357 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.897 3.180 -11.030 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.186 4.003 -12.581 1.00 0.00 H new ATOM 1136 N VAL A 74 15.903 6.305 -7.192 1.00 0.00 N ATOM 1137 CA VAL A 74 16.334 7.433 -6.351 1.00 0.00 C ATOM 1138 C VAL A 74 17.763 7.839 -6.754 1.00 0.00 C ATOM 1139 O VAL A 74 18.692 7.040 -6.614 1.00 0.00 O ATOM 1140 CB VAL A 74 16.316 7.011 -4.830 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.923 8.084 -3.894 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.889 6.640 -4.374 1.00 0.00 C ATOM 0 H VAL A 74 16.032 5.400 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 74 15.654 8.273 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 74 16.953 6.130 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.881 7.733 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.961 8.265 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.355 9.010 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.906 6.353 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.230 7.498 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.521 5.806 -4.972 1.00 0.00 H new ATOM 1152 N GLU A 75 17.932 9.069 -7.263 1.00 0.00 N ATOM 1153 CA GLU A 75 19.264 9.594 -7.633 1.00 0.00 C ATOM 1154 C GLU A 75 19.996 10.146 -6.393 1.00 0.00 C ATOM 1155 O GLU A 75 19.410 10.258 -5.317 1.00 0.00 O ATOM 1156 CB GLU A 75 19.138 10.687 -8.728 1.00 0.00 C ATOM 1157 CG GLU A 75 18.418 11.972 -8.273 1.00 0.00 C ATOM 1158 CD GLU A 75 18.381 13.058 -9.352 1.00 0.00 C ATOM 1159 OE1 GLU A 75 17.495 13.006 -10.225 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.260 13.950 -9.356 1.00 0.00 O ATOM 0 H GLU A 75 17.166 9.722 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 75 19.854 8.772 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.137 10.950 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.603 10.269 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.397 11.725 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.917 12.366 -7.387 1.00 0.00 H new ATOM 1167 N GLU A 76 21.287 10.463 -6.562 1.00 0.00 N ATOM 1168 CA GLU A 76 22.108 11.111 -5.529 1.00 0.00 C ATOM 1169 C GLU A 76 22.816 12.331 -6.150 1.00 0.00 C ATOM 1170 O GLU A 76 23.654 12.177 -7.046 1.00 0.00 O ATOM 1171 CB GLU A 76 23.140 10.116 -4.944 1.00 0.00 C ATOM 1172 CG GLU A 76 24.031 10.699 -3.818 1.00 0.00 C ATOM 1173 CD GLU A 76 25.231 9.804 -3.464 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.160 9.699 -4.295 1.00 0.00 O ATOM 1175 OE2 GLU A 76 25.257 9.195 -2.371 1.00 0.00 O ATOM 0 H GLU A 76 21.795 10.276 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 76 21.469 11.440 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.608 9.248 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.782 9.762 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.396 11.679 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.424 10.850 -2.925 1.00 0.00 H new ATOM 1182 N ASP A 77 22.455 13.532 -5.669 1.00 0.00 N ATOM 1183 CA ASP A 77 23.007 14.821 -6.142 1.00 0.00 C ATOM 1184 C ASP A 77 24.183 15.271 -5.250 1.00 0.00 C ATOM 1185 O ASP A 77 25.036 16.042 -5.697 1.00 0.00 O ATOM 1186 CB ASP A 77 21.881 15.894 -6.170 1.00 0.00 C ATOM 1187 CG ASP A 77 22.371 17.309 -6.541 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.796 17.515 -7.699 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.344 18.215 -5.679 1.00 0.00 O ATOM 0 H ASP A 77 21.761 13.641 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 77 23.392 14.694 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.118 15.586 -6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.404 15.931 -5.191 1.00 0.00 H new ATOM 1194 N GLN A 78 24.213 14.761 -3.993 1.00 0.00 N ATOM 1195 CA GLN A 78 25.277 15.044 -2.993 1.00 0.00 C ATOM 1196 C GLN A 78 25.314 16.543 -2.600 1.00 0.00 C ATOM 1197 O GLN A 78 26.391 17.091 -2.333 1.00 0.00 O ATOM 1198 CB GLN A 78 26.683 14.570 -3.497 1.00 0.00 C ATOM 1199 CG GLN A 78 26.767 13.088 -3.880 1.00 0.00 C ATOM 1200 CD GLN A 78 28.161 12.654 -4.339 1.00 0.00 C ATOM 1201 OE1 GLN A 78 28.506 12.758 -5.513 1.00 0.00 O ATOM 1202 NE2 GLN A 78 28.966 12.157 -3.420 1.00 0.00 N ATOM 0 H GLN A 78 23.490 14.134 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 78 25.029 14.472 -2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 78 26.963 15.170 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 78 27.418 14.771 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.470 12.482 -3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.051 12.886 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 78 28.651 12.083 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.903 11.847 -3.677 1.00 0.00 H new ATOM 1211 N THR A 79 24.126 17.187 -2.527 1.00 0.00 N ATOM 1212 CA THR A 79 24.022 18.629 -2.204 1.00 0.00 C ATOM 1213 C THR A 79 24.461 18.927 -0.751 1.00 0.00 C ATOM 1214 O THR A 79 24.839 20.066 -0.443 1.00 0.00 O ATOM 1215 CB THR A 79 22.578 19.194 -2.463 1.00 0.00 C ATOM 1216 OG1 THR A 79 22.602 20.631 -2.421 1.00 0.00 O ATOM 1217 CG2 THR A 79 21.535 18.676 -1.455 1.00 0.00 C ATOM 0 H THR A 79 23.228 16.732 -2.687 1.00 0.00 H new ATOM 0 HA THR A 79 24.707 19.141 -2.880 1.00 0.00 H new ATOM 0 HB THR A 79 22.278 18.841 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.700 20.978 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.560 19.103 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 79 21.479 17.589 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 79 21.827 18.969 -0.446 1.00 0.00 H new ATOM 1225 N ARG A 80 24.403 17.881 0.118 1.00 0.00 N ATOM 1226 CA ARG A 80 24.753 17.964 1.552 1.00 0.00 C ATOM 1227 C ARG A 80 23.937 19.080 2.252 1.00 0.00 C ATOM 1228 O ARG A 80 24.454 20.177 2.494 1.00 0.00 O ATOM 1229 CB ARG A 80 26.290 18.149 1.760 1.00 0.00 C ATOM 1230 CG ARG A 80 27.161 16.955 1.304 1.00 0.00 C ATOM 1231 CD ARG A 80 26.834 15.669 2.079 1.00 0.00 C ATOM 1232 NE ARG A 80 27.704 14.544 1.700 1.00 0.00 N ATOM 1233 CZ ARG A 80 27.565 13.277 2.131 1.00 0.00 C ATOM 1234 NH1 ARG A 80 26.566 12.935 2.938 1.00 0.00 N ATOM 1235 NH2 ARG A 80 28.422 12.351 1.732 1.00 0.00 N ATOM 0 H ARG A 80 24.107 16.947 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 80 24.486 17.016 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.610 19.040 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.478 18.333 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 80 27.010 16.783 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 80 28.214 17.202 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 80 26.935 15.858 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.794 15.396 1.900 1.00 0.00 H new ATOM 0 HE ARG A 80 28.473 14.740 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 80 25.891 13.637 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.475 11.970 3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 80 29.184 12.599 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 80 28.321 11.389 2.056 1.00 0.00 H new ATOM 1249 N PRO A 81 22.629 18.819 2.549 1.00 0.00 N ATOM 1250 CA PRO A 81 21.706 19.844 3.079 1.00 0.00 C ATOM 1251 C PRO A 81 21.863 20.067 4.590 1.00 0.00 C ATOM 1252 O PRO A 81 22.578 19.317 5.275 1.00 0.00 O ATOM 1253 CB PRO A 81 20.327 19.245 2.745 1.00 0.00 C ATOM 1254 CG PRO A 81 20.534 17.768 2.902 1.00 0.00 C ATOM 1255 CD PRO A 81 21.948 17.495 2.419 1.00 0.00 C ATOM 0 HA PRO A 81 21.883 20.830 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.555 19.615 3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 81 20.014 19.500 1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.410 17.464 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.806 17.207 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 81 22.437 16.732 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.957 17.139 1.389 1.00 0.00 H new ATOM 1263 N LYS A 82 21.179 21.109 5.089 1.00 0.00 N ATOM 1264 CA LYS A 82 21.098 21.405 6.523 1.00 0.00 C ATOM 1265 C LYS A 82 20.287 20.290 7.222 1.00 0.00 C ATOM 1266 O LYS A 82 19.051 20.303 7.221 1.00 0.00 O ATOM 1267 CB LYS A 82 20.457 22.807 6.751 1.00 0.00 C ATOM 1268 CG LYS A 82 20.335 23.234 8.237 1.00 0.00 C ATOM 1269 CD LYS A 82 21.698 23.409 8.953 1.00 0.00 C ATOM 1270 CE LYS A 82 22.518 24.593 8.409 1.00 0.00 C ATOM 1271 NZ LYS A 82 23.830 24.723 9.096 1.00 0.00 N ATOM 0 H LYS A 82 20.666 21.770 4.505 1.00 0.00 H new ATOM 0 HA LYS A 82 22.099 21.432 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.050 23.552 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.463 22.813 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.784 24.173 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.747 22.488 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.526 23.554 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.279 22.493 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.680 24.461 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.950 25.515 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.350 25.532 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.676 24.875 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.383 23.853 8.956 1.00 0.00 H new ATOM 1285 N ALA A 83 21.013 19.299 7.768 1.00 0.00 N ATOM 1286 CA ALA A 83 20.420 18.128 8.439 1.00 0.00 C ATOM 1287 C ALA A 83 19.999 18.454 9.889 1.00 0.00 C ATOM 1288 O ALA A 83 19.340 17.642 10.542 1.00 0.00 O ATOM 1289 CB ALA A 83 21.411 16.951 8.396 1.00 0.00 C ATOM 0 H ALA A 83 22.033 19.287 7.756 1.00 0.00 H new ATOM 0 HA ALA A 83 19.513 17.846 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.971 16.086 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.633 16.700 7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.332 17.232 8.906 1.00 0.00 H new ATOM 1295 N SER A 84 20.403 19.633 10.389 1.00 0.00 N ATOM 1296 CA SER A 84 20.007 20.141 11.713 1.00 0.00 C ATOM 1297 C SER A 84 18.992 21.294 11.536 1.00 0.00 C ATOM 1298 O SER A 84 19.401 22.403 11.189 1.00 0.00 O ATOM 1299 CB SER A 84 21.260 20.624 12.485 1.00 0.00 C ATOM 1300 OG SER A 84 22.214 19.581 12.611 1.00 0.00 O ATOM 0 H SER A 84 21.020 20.267 9.881 1.00 0.00 H new ATOM 0 HA SER A 84 19.536 19.345 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.708 21.470 11.965 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.968 20.976 13.474 1.00 0.00 H new ATOM 0 HG SER A 84 22.996 19.911 13.100 1.00 0.00 H new ATOM 1306 N PRO A 85 17.650 21.047 11.732 1.00 0.00 N ATOM 1307 CA PRO A 85 16.601 22.104 11.602 1.00 0.00 C ATOM 1308 C PRO A 85 16.739 23.241 12.645 1.00 0.00 C ATOM 1309 O PRO A 85 16.107 24.294 12.502 1.00 0.00 O ATOM 1310 CB PRO A 85 15.268 21.320 11.783 1.00 0.00 C ATOM 1311 CG PRO A 85 15.652 20.081 12.536 1.00 0.00 C ATOM 1312 CD PRO A 85 17.041 19.726 12.054 1.00 0.00 C ATOM 0 HA PRO A 85 16.672 22.624 10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.535 21.908 12.336 1.00 0.00 H new ATOM 0 HB3 PRO A 85 14.819 21.075 10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.644 20.258 13.612 1.00 0.00 H new ATOM 0 HG3 PRO A 85 14.950 19.270 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 85 17.609 19.199 12.821 1.00 0.00 H new ATOM 0 HD3 PRO A 85 17.008 19.076 11.179 1.00 0.00 H new ATOM 1320 N SER A 86 17.554 23.002 13.690 1.00 0.00 N ATOM 1321 CA SER A 86 17.886 24.005 14.712 1.00 0.00 C ATOM 1322 C SER A 86 19.302 23.685 15.270 1.00 0.00 C ATOM 1323 O SER A 86 19.426 22.816 16.155 1.00 0.00 O ATOM 1324 CB SER A 86 16.802 24.020 15.830 1.00 0.00 C ATOM 1325 OG SER A 86 17.001 25.088 16.747 1.00 0.00 O ATOM 1326 OXT SER A 86 20.291 24.273 14.783 1.00 0.00 O ATOM 0 H SER A 86 18.002 22.099 13.847 1.00 0.00 H new ATOM 0 HA SER A 86 17.899 25.005 14.278 1.00 0.00 H new ATOM 0 HB2 SER A 86 15.815 24.110 15.377 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.821 23.072 16.367 1.00 0.00 H new ATOM 0 HG SER A 86 16.301 25.065 17.432 1.00 0.00 H new TER 1332 SER A 86