USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 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 Single : A 22 THR OG1 : rot -20:sc= 0.511 USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -2.02! (180deg=-4.26!) USER MOD Single : A 31 SER OG : rot 156:sc= -1.15 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 0.659 (180deg=-1.97!) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= -0.856! (180deg=-0.902) USER MOD Single : A 41 GLN : amide:sc= 0.084 X(o=0.084,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= -0.901 (180deg=-4.04!) USER MOD Single : A 47 GLN : amide:sc= 0.993 K(o=0.99,f=-0.65) USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= 0.996 (180deg=-0.647) USER MOD Single : A 77 ASN : amide:sc= 0.574 K(o=0.57,f=-0.42) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.830 1.435 -1.818 1.00 0.74 N ATOM 43 CA THR A 22 6.365 2.273 -2.968 1.00 0.78 C ATOM 44 C THR A 22 7.283 3.442 -3.133 1.00 0.67 C ATOM 45 O THR A 22 7.270 4.114 -4.139 1.00 0.70 O ATOM 46 CB THR A 22 5.007 2.807 -2.716 1.00 0.86 C ATOM 47 OG1 THR A 22 5.088 3.355 -1.412 1.00 0.72 O ATOM 48 CG2 THR A 22 4.091 1.665 -2.540 1.00 0.98 C ATOM 0 HA THR A 22 6.357 1.646 -3.859 1.00 0.78 H new ATOM 0 HB THR A 22 4.686 3.487 -3.506 1.00 0.86 H new ATOM 0 HG1 THR A 22 5.854 2.966 -0.941 1.00 0.72 H new ATOM 0 HG21 THR A 22 3.082 2.033 -2.353 1.00 0.98 H new ATOM 0 HG22 THR A 22 4.093 1.055 -3.443 1.00 0.98 H new ATOM 0 HG23 THR A 22 4.420 1.062 -1.694 1.00 0.98 H new ATOM 56 N GLU A 23 8.045 3.668 -2.111 1.00 0.56 N ATOM 57 CA GLU A 23 9.018 4.778 -2.128 1.00 0.49 C ATOM 58 C GLU A 23 10.181 4.139 -1.444 1.00 0.39 C ATOM 59 O GLU A 23 10.002 3.365 -0.519 1.00 0.35 O ATOM 60 CB GLU A 23 8.532 5.984 -1.335 1.00 0.54 C ATOM 61 CG GLU A 23 7.276 6.538 -2.061 1.00 0.93 C ATOM 62 CD GLU A 23 7.105 8.041 -1.884 1.00 1.22 C ATOM 63 OE1 GLU A 23 7.871 8.640 -1.146 1.00 0.93 O ATOM 64 OE2 GLU A 23 6.175 8.492 -2.534 1.00 2.37 O ATOM 0 H GLU A 23 8.034 3.120 -1.250 1.00 0.56 H new ATOM 0 HA GLU A 23 9.219 5.169 -3.126 1.00 0.49 H new ATOM 0 HB2 GLU A 23 8.290 5.699 -0.311 1.00 0.54 H new ATOM 0 HB3 GLU A 23 9.310 6.745 -1.278 1.00 0.54 H new ATOM 0 HG2 GLU A 23 7.346 6.308 -3.124 1.00 0.93 H new ATOM 0 HG3 GLU A 23 6.389 6.029 -1.682 1.00 0.93 H new ATOM 71 N TRP A 24 11.335 4.472 -1.906 1.00 0.38 N ATOM 72 CA TRP A 24 12.550 3.883 -1.295 1.00 0.26 C ATOM 73 C TRP A 24 13.541 4.897 -0.699 1.00 0.23 C ATOM 74 O TRP A 24 14.672 5.022 -1.144 1.00 0.23 O ATOM 75 CB TRP A 24 13.174 3.039 -2.396 1.00 0.31 C ATOM 76 CG TRP A 24 12.305 1.838 -2.831 1.00 0.29 C ATOM 77 CD1 TRP A 24 12.563 0.579 -2.408 1.00 0.31 C ATOM 78 CD2 TRP A 24 11.200 1.822 -3.630 1.00 0.32 C ATOM 79 NE1 TRP A 24 11.602 -0.134 -2.966 1.00 0.38 N ATOM 80 CE2 TRP A 24 10.744 0.528 -3.712 1.00 0.39 C ATOM 81 CE3 TRP A 24 10.508 2.797 -4.323 1.00 0.36 C ATOM 82 CZ2 TRP A 24 9.637 0.200 -4.446 1.00 0.47 C ATOM 83 CZ3 TRP A 24 9.377 2.469 -5.076 1.00 0.40 C ATOM 84 CH2 TRP A 24 8.949 1.167 -5.130 1.00 0.47 C ATOM 0 H TRP A 24 11.497 5.122 -2.675 1.00 0.38 H new ATOM 0 HA TRP A 24 12.275 3.296 -0.419 1.00 0.26 H new ATOM 0 HB2 TRP A 24 13.362 3.672 -3.263 1.00 0.31 H new ATOM 0 HB3 TRP A 24 14.141 2.671 -2.054 1.00 0.31 H new ATOM 0 HD1 TRP A 24 13.363 0.239 -1.767 1.00 0.31 H new ATOM 0 HE1 TRP A 24 11.529 -1.142 -2.827 1.00 0.38 H new ATOM 0 HE3 TRP A 24 10.844 3.822 -4.282 1.00 0.36 H new ATOM 0 HZ2 TRP A 24 9.304 -0.827 -4.486 1.00 0.47 H new ATOM 0 HZ3 TRP A 24 8.842 3.238 -5.613 1.00 0.40 H new ATOM 0 HH2 TRP A 24 8.075 0.906 -5.708 1.00 0.47 H new ATOM 95 N PRO A 25 13.104 5.597 0.325 1.00 0.36 N ATOM 96 CA PRO A 25 14.037 6.450 1.119 1.00 0.52 C ATOM 97 C PRO A 25 15.270 5.594 1.494 1.00 0.54 C ATOM 98 O PRO A 25 16.383 6.066 1.563 1.00 0.75 O ATOM 99 CB PRO A 25 13.138 6.939 2.285 1.00 0.67 C ATOM 100 CG PRO A 25 11.972 5.912 2.327 1.00 0.53 C ATOM 101 CD PRO A 25 11.712 5.617 0.851 1.00 0.41 C ATOM 0 HA PRO A 25 14.474 7.317 0.624 1.00 0.52 H new ATOM 0 HB2 PRO A 25 13.685 6.959 3.228 1.00 0.67 H new ATOM 0 HB3 PRO A 25 12.771 7.950 2.108 1.00 0.67 H new ATOM 0 HG2 PRO A 25 12.249 5.011 2.875 1.00 0.53 H new ATOM 0 HG3 PRO A 25 11.090 6.324 2.817 1.00 0.53 H new ATOM 0 HD2 PRO A 25 11.200 4.666 0.703 1.00 0.41 H new ATOM 0 HD3 PRO A 25 11.101 6.385 0.377 1.00 0.41 H new ATOM 109 N GLU A 26 14.956 4.347 1.706 1.00 0.41 N ATOM 110 CA GLU A 26 15.916 3.269 2.079 1.00 0.47 C ATOM 111 C GLU A 26 17.061 3.084 1.034 1.00 0.48 C ATOM 112 O GLU A 26 18.156 2.656 1.345 1.00 0.58 O ATOM 113 CB GLU A 26 15.083 1.969 2.252 1.00 0.45 C ATOM 114 CG GLU A 26 16.019 0.852 2.791 1.00 1.04 C ATOM 115 CD GLU A 26 15.344 -0.515 2.929 1.00 1.55 C ATOM 116 OE1 GLU A 26 14.135 -0.625 3.101 1.00 1.24 O ATOM 117 OE2 GLU A 26 16.145 -1.425 2.856 1.00 2.55 O ATOM 0 H GLU A 26 13.997 4.010 1.629 1.00 0.41 H new ATOM 0 HA GLU A 26 16.427 3.535 3.004 1.00 0.47 H new ATOM 0 HB2 GLU A 26 14.257 2.137 2.943 1.00 0.45 H new ATOM 0 HB3 GLU A 26 14.646 1.670 1.300 1.00 0.45 H new ATOM 0 HG2 GLU A 26 16.875 0.757 2.124 1.00 1.04 H new ATOM 0 HG3 GLU A 26 16.405 1.155 3.764 1.00 1.04 H new ATOM 124 N LEU A 27 16.775 3.414 -0.202 1.00 0.41 N ATOM 125 CA LEU A 27 17.768 3.294 -1.315 1.00 0.43 C ATOM 126 C LEU A 27 18.673 4.512 -1.510 1.00 0.38 C ATOM 127 O LEU A 27 19.789 4.361 -1.972 1.00 0.48 O ATOM 128 CB LEU A 27 17.013 3.041 -2.641 1.00 0.66 C ATOM 129 CG LEU A 27 16.355 1.666 -2.649 1.00 0.12 C ATOM 130 CD1 LEU A 27 15.454 1.507 -3.897 1.00 0.74 C ATOM 131 CD2 LEU A 27 17.478 0.625 -2.737 1.00 0.56 C ATOM 0 H LEU A 27 15.866 3.773 -0.493 1.00 0.41 H new ATOM 0 HA LEU A 27 18.419 2.466 -1.035 1.00 0.43 H new ATOM 0 HB2 LEU A 27 16.254 3.811 -2.783 1.00 0.66 H new ATOM 0 HB3 LEU A 27 17.707 3.120 -3.478 1.00 0.66 H new ATOM 0 HG LEU A 27 15.748 1.540 -1.753 1.00 0.12 H new ATOM 0 HD11 LEU A 27 14.991 0.520 -3.888 1.00 0.74 H new ATOM 0 HD12 LEU A 27 14.678 2.272 -3.885 1.00 0.74 H new ATOM 0 HD13 LEU A 27 16.058 1.617 -4.798 1.00 0.74 H new ATOM 0 HD21 LEU A 27 17.046 -0.376 -2.745 1.00 0.56 H new ATOM 0 HD22 LEU A 27 18.048 0.782 -3.652 1.00 0.56 H new ATOM 0 HD23 LEU A 27 18.138 0.728 -1.876 1.00 0.56 H new ATOM 143 N VAL A 28 18.209 5.691 -1.194 1.00 0.56 N ATOM 144 CA VAL A 28 19.086 6.889 -1.383 1.00 0.51 C ATOM 145 C VAL A 28 20.495 6.631 -0.767 1.00 0.60 C ATOM 146 O VAL A 28 20.604 6.290 0.394 1.00 0.83 O ATOM 147 CB VAL A 28 18.429 8.110 -0.713 1.00 0.59 C ATOM 148 CG1 VAL A 28 19.210 9.356 -1.170 1.00 0.58 C ATOM 149 CG2 VAL A 28 16.958 8.262 -1.137 1.00 0.58 C ATOM 0 H VAL A 28 17.279 5.878 -0.820 1.00 0.56 H new ATOM 0 HA VAL A 28 19.207 7.082 -2.449 1.00 0.51 H new ATOM 0 HB VAL A 28 18.453 7.986 0.370 1.00 0.59 H new ATOM 0 HG11 VAL A 28 18.774 10.246 -0.715 1.00 0.58 H new ATOM 0 HG12 VAL A 28 20.252 9.265 -0.863 1.00 0.58 H new ATOM 0 HG13 VAL A 28 19.158 9.440 -2.255 1.00 0.58 H new ATOM 0 HG21 VAL A 28 16.526 9.134 -0.645 1.00 0.58 H new ATOM 0 HG22 VAL A 28 16.902 8.390 -2.218 1.00 0.58 H new ATOM 0 HG23 VAL A 28 16.402 7.370 -0.849 1.00 0.58 H new ATOM 159 N GLY A 29 21.522 6.802 -1.555 1.00 0.47 N ATOM 160 CA GLY A 29 22.940 6.577 -1.101 1.00 0.58 C ATOM 161 C GLY A 29 23.431 5.202 -1.573 1.00 0.54 C ATOM 162 O GLY A 29 24.547 4.792 -1.321 1.00 0.55 O ATOM 0 H GLY A 29 21.441 7.098 -2.528 1.00 0.47 H new ATOM 0 HA2 GLY A 29 23.586 7.359 -1.499 1.00 0.58 H new ATOM 0 HA3 GLY A 29 22.997 6.639 -0.014 1.00 0.58 H new ATOM 166 N LYS A 30 22.572 4.501 -2.260 1.00 0.51 N ATOM 167 CA LYS A 30 22.915 3.129 -2.787 1.00 0.48 C ATOM 168 C LYS A 30 23.108 3.153 -4.305 1.00 0.53 C ATOM 169 O LYS A 30 23.023 4.198 -4.911 1.00 0.58 O ATOM 170 CB LYS A 30 21.759 2.179 -2.430 1.00 0.39 C ATOM 171 CG LYS A 30 21.518 2.162 -0.907 1.00 0.41 C ATOM 172 CD LYS A 30 22.655 1.446 -0.123 1.00 0.71 C ATOM 173 CE LYS A 30 22.249 0.003 0.161 1.00 0.65 C ATOM 174 NZ LYS A 30 22.242 -0.750 -1.121 1.00 1.74 N ATOM 0 H LYS A 30 21.629 4.817 -2.487 1.00 0.51 H new ATOM 0 HA LYS A 30 23.849 2.792 -2.337 1.00 0.48 H new ATOM 0 HB2 LYS A 30 20.851 2.494 -2.943 1.00 0.39 H new ATOM 0 HB3 LYS A 30 21.989 1.172 -2.778 1.00 0.39 H new ATOM 0 HG2 LYS A 30 21.425 3.187 -0.547 1.00 0.41 H new ATOM 0 HG3 LYS A 30 20.571 1.664 -0.699 1.00 0.41 H new ATOM 0 HD2 LYS A 30 23.579 1.468 -0.701 1.00 0.71 H new ATOM 0 HD3 LYS A 30 22.852 1.970 0.812 1.00 0.71 H new ATOM 0 HE2 LYS A 30 22.945 -0.454 0.864 1.00 0.65 H new ATOM 0 HE3 LYS A 30 21.262 -0.028 0.623 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 22.651 -1.694 -0.971 1.00 1.74 H new ATOM 0 HZ2 LYS A 30 21.264 -0.847 -1.462 1.00 1.74 H new ATOM 0 HZ3 LYS A 30 22.806 -0.237 -1.828 1.00 1.74 H new ATOM 188 N SER A 31 23.343 2.004 -4.874 1.00 0.54 N ATOM 189 CA SER A 31 23.539 1.920 -6.361 1.00 0.52 C ATOM 190 C SER A 31 22.149 1.829 -7.009 1.00 0.51 C ATOM 191 O SER A 31 21.207 1.277 -6.461 1.00 0.54 O ATOM 192 CB SER A 31 24.322 0.655 -6.718 1.00 0.55 C ATOM 193 OG SER A 31 23.409 -0.385 -6.375 1.00 0.65 O ATOM 0 H SER A 31 23.409 1.115 -4.379 1.00 0.54 H new ATOM 0 HA SER A 31 24.089 2.793 -6.713 1.00 0.52 H new ATOM 0 HB2 SER A 31 24.588 0.628 -7.775 1.00 0.55 H new ATOM 0 HB3 SER A 31 25.251 0.581 -6.153 1.00 0.55 H new ATOM 0 HG SER A 31 23.621 -1.190 -6.893 1.00 0.65 H new ATOM 199 N VAL A 32 22.048 2.386 -8.179 1.00 0.47 N ATOM 200 CA VAL A 32 20.743 2.332 -8.864 1.00 0.46 C ATOM 201 C VAL A 32 20.389 0.882 -9.145 1.00 0.43 C ATOM 202 O VAL A 32 19.270 0.484 -8.932 1.00 0.35 O ATOM 203 CB VAL A 32 20.848 3.163 -10.138 1.00 0.44 C ATOM 204 CG1 VAL A 32 21.751 2.494 -11.179 1.00 0.42 C ATOM 205 CG2 VAL A 32 19.422 3.338 -10.668 1.00 0.36 C ATOM 0 H VAL A 32 22.797 2.865 -8.678 1.00 0.47 H new ATOM 0 HA VAL A 32 19.945 2.745 -8.248 1.00 0.46 H new ATOM 0 HB VAL A 32 21.305 4.129 -9.926 1.00 0.44 H new ATOM 0 HG11 VAL A 32 21.800 3.117 -12.072 1.00 0.42 H new ATOM 0 HG12 VAL A 32 22.753 2.371 -10.767 1.00 0.42 H new ATOM 0 HG13 VAL A 32 21.344 1.517 -11.440 1.00 0.42 H new ATOM 0 HG21 VAL A 32 19.444 3.929 -11.584 1.00 0.36 H new ATOM 0 HG22 VAL A 32 18.989 2.360 -10.878 1.00 0.36 H new ATOM 0 HG23 VAL A 32 18.816 3.850 -9.920 1.00 0.36 H new ATOM 215 N GLU A 33 21.303 0.088 -9.624 1.00 0.52 N ATOM 216 CA GLU A 33 20.943 -1.325 -9.879 1.00 0.51 C ATOM 217 C GLU A 33 20.448 -1.958 -8.564 1.00 0.47 C ATOM 218 O GLU A 33 19.515 -2.739 -8.612 1.00 0.39 O ATOM 219 CB GLU A 33 22.208 -1.977 -10.492 1.00 0.65 C ATOM 220 CG GLU A 33 22.596 -1.134 -11.789 1.00 0.80 C ATOM 221 CD GLU A 33 21.418 -0.874 -12.757 1.00 0.82 C ATOM 222 OE1 GLU A 33 20.434 -1.600 -12.785 1.00 0.72 O ATOM 223 OE2 GLU A 33 21.547 0.099 -13.479 1.00 1.82 O ATOM 0 H GLU A 33 22.263 0.352 -9.845 1.00 0.52 H new ATOM 0 HA GLU A 33 20.120 -1.462 -10.581 1.00 0.51 H new ATOM 0 HB2 GLU A 33 23.028 -1.975 -9.773 1.00 0.65 H new ATOM 0 HB3 GLU A 33 22.016 -3.018 -10.754 1.00 0.65 H new ATOM 0 HG2 GLU A 33 23.010 -0.176 -11.475 1.00 0.80 H new ATOM 0 HG3 GLU A 33 23.384 -1.661 -12.328 1.00 0.80 H new ATOM 230 N GLU A 34 21.033 -1.681 -7.415 1.00 0.54 N ATOM 231 CA GLU A 34 20.489 -2.306 -6.149 1.00 0.48 C ATOM 232 C GLU A 34 19.055 -1.760 -6.055 1.00 0.30 C ATOM 233 O GLU A 34 18.115 -2.502 -5.844 1.00 0.18 O ATOM 234 CB GLU A 34 21.270 -1.834 -4.884 1.00 0.71 C ATOM 235 CG GLU A 34 22.660 -2.514 -4.617 1.00 1.21 C ATOM 236 CD GLU A 34 23.341 -1.824 -3.423 1.00 1.99 C ATOM 237 OE1 GLU A 34 23.519 -0.610 -3.503 1.00 2.59 O ATOM 238 OE2 GLU A 34 23.641 -2.531 -2.479 1.00 2.34 O ATOM 0 H GLU A 34 21.840 -1.068 -7.295 1.00 0.54 H new ATOM 0 HA GLU A 34 20.563 -3.393 -6.185 1.00 0.48 H new ATOM 0 HB2 GLU A 34 21.427 -0.758 -4.963 1.00 0.71 H new ATOM 0 HB3 GLU A 34 20.637 -2.000 -4.012 1.00 0.71 H new ATOM 0 HG2 GLU A 34 22.525 -3.576 -4.410 1.00 1.21 H new ATOM 0 HG3 GLU A 34 23.291 -2.440 -5.503 1.00 1.21 H new ATOM 245 N ALA A 35 18.923 -0.468 -6.206 1.00 0.32 N ATOM 246 CA ALA A 35 17.585 0.147 -6.141 1.00 0.33 C ATOM 247 C ALA A 35 16.622 -0.613 -7.027 1.00 0.28 C ATOM 248 O ALA A 35 15.592 -1.026 -6.561 1.00 0.33 O ATOM 249 CB ALA A 35 17.720 1.606 -6.579 1.00 0.39 C ATOM 0 H ALA A 35 19.692 0.181 -6.372 1.00 0.32 H new ATOM 0 HA ALA A 35 17.187 0.109 -5.127 1.00 0.33 H new ATOM 0 HB1 ALA A 35 16.744 2.089 -6.541 1.00 0.39 H new ATOM 0 HB2 ALA A 35 18.407 2.124 -5.911 1.00 0.39 H new ATOM 0 HB3 ALA A 35 18.105 1.646 -7.598 1.00 0.39 H new ATOM 255 N LYS A 36 16.957 -0.790 -8.264 1.00 0.30 N ATOM 256 CA LYS A 36 16.057 -1.534 -9.180 1.00 0.30 C ATOM 257 C LYS A 36 15.745 -2.877 -8.544 1.00 0.31 C ATOM 258 O LYS A 36 14.590 -3.201 -8.393 1.00 0.39 O ATOM 259 CB LYS A 36 16.783 -1.682 -10.508 1.00 0.29 C ATOM 260 CG LYS A 36 17.060 -0.288 -11.100 1.00 0.34 C ATOM 261 CD LYS A 36 17.324 -0.562 -12.567 1.00 0.35 C ATOM 262 CE LYS A 36 17.867 0.652 -13.286 1.00 0.38 C ATOM 263 NZ LYS A 36 18.976 0.170 -14.154 1.00 0.76 N ATOM 0 H LYS A 36 17.821 -0.450 -8.687 1.00 0.30 H new ATOM 0 HA LYS A 36 15.113 -1.018 -9.355 1.00 0.30 H new ATOM 0 HB2 LYS A 36 17.720 -2.220 -10.364 1.00 0.29 H new ATOM 0 HB3 LYS A 36 16.180 -2.270 -11.201 1.00 0.29 H new ATOM 0 HG2 LYS A 36 16.209 0.380 -10.965 1.00 0.34 H new ATOM 0 HG3 LYS A 36 17.917 0.186 -10.621 1.00 0.34 H new ATOM 0 HD2 LYS A 36 18.033 -1.384 -12.659 1.00 0.35 H new ATOM 0 HD3 LYS A 36 16.400 -0.883 -13.047 1.00 0.35 H new ATOM 0 HE2 LYS A 36 17.089 1.130 -13.881 1.00 0.38 H new ATOM 0 HE3 LYS A 36 18.227 1.395 -12.574 1.00 0.38 H new ATOM 0 HZ1 LYS A 36 19.791 0.810 -14.063 1.00 0.76 H new ATOM 0 HZ2 LYS A 36 19.254 -0.789 -13.862 1.00 0.76 H new ATOM 0 HZ3 LYS A 36 18.659 0.152 -15.144 1.00 0.76 H new ATOM 277 N LYS A 37 16.750 -3.626 -8.177 1.00 0.27 N ATOM 278 CA LYS A 37 16.473 -4.949 -7.543 1.00 0.26 C ATOM 279 C LYS A 37 15.493 -4.809 -6.342 1.00 0.23 C ATOM 280 O LYS A 37 14.573 -5.580 -6.173 1.00 0.25 O ATOM 281 CB LYS A 37 17.848 -5.543 -7.128 1.00 0.26 C ATOM 282 CG LYS A 37 18.607 -5.863 -8.446 1.00 1.74 C ATOM 283 CD LYS A 37 19.885 -6.719 -8.160 1.00 1.83 C ATOM 284 CE LYS A 37 20.972 -5.874 -7.514 1.00 2.82 C ATOM 285 NZ LYS A 37 21.388 -4.862 -8.535 1.00 4.37 N ATOM 0 H LYS A 37 17.735 -3.386 -8.286 1.00 0.27 H new ATOM 0 HA LYS A 37 15.973 -5.623 -8.239 1.00 0.26 H new ATOM 0 HB2 LYS A 37 18.409 -4.834 -6.520 1.00 0.26 H new ATOM 0 HB3 LYS A 37 17.716 -6.443 -6.528 1.00 0.26 H new ATOM 0 HG2 LYS A 37 17.949 -6.401 -9.128 1.00 1.74 H new ATOM 0 HG3 LYS A 37 18.890 -4.935 -8.942 1.00 1.74 H new ATOM 0 HD2 LYS A 37 19.630 -7.553 -7.506 1.00 1.83 H new ATOM 0 HD3 LYS A 37 20.257 -7.147 -9.091 1.00 1.83 H new ATOM 0 HE2 LYS A 37 20.600 -5.386 -6.613 1.00 2.82 H new ATOM 0 HE3 LYS A 37 21.818 -6.493 -7.215 1.00 2.82 H new ATOM 0 HZ1 LYS A 37 22.202 -4.323 -8.178 1.00 4.37 H new ATOM 0 HZ2 LYS A 37 21.654 -5.347 -9.416 1.00 4.37 H new ATOM 0 HZ3 LYS A 37 20.598 -4.212 -8.722 1.00 4.37 H new ATOM 299 N VAL A 38 15.719 -3.810 -5.545 1.00 0.20 N ATOM 300 CA VAL A 38 14.859 -3.548 -4.353 1.00 0.22 C ATOM 301 C VAL A 38 13.446 -3.214 -4.824 1.00 0.27 C ATOM 302 O VAL A 38 12.468 -3.787 -4.392 1.00 0.28 O ATOM 303 CB VAL A 38 15.542 -2.399 -3.609 1.00 0.23 C ATOM 304 CG1 VAL A 38 14.623 -1.778 -2.567 1.00 0.22 C ATOM 305 CG2 VAL A 38 16.774 -2.990 -2.908 1.00 0.24 C ATOM 0 H VAL A 38 16.482 -3.144 -5.669 1.00 0.20 H new ATOM 0 HA VAL A 38 14.755 -4.403 -3.685 1.00 0.22 H new ATOM 0 HB VAL A 38 15.810 -1.614 -4.316 1.00 0.23 H new ATOM 0 HG11 VAL A 38 15.144 -0.966 -2.060 1.00 0.22 H new ATOM 0 HG12 VAL A 38 13.730 -1.387 -3.056 1.00 0.22 H new ATOM 0 HG13 VAL A 38 14.335 -2.535 -1.838 1.00 0.22 H new ATOM 0 HG21 VAL A 38 17.295 -2.203 -2.362 1.00 0.24 H new ATOM 0 HG22 VAL A 38 16.459 -3.767 -2.212 1.00 0.24 H new ATOM 0 HG23 VAL A 38 17.445 -3.420 -3.652 1.00 0.24 H new ATOM 315 N ILE A 39 13.378 -2.284 -5.724 1.00 0.31 N ATOM 316 CA ILE A 39 12.084 -1.848 -6.281 1.00 0.37 C ATOM 317 C ILE A 39 11.419 -3.092 -6.815 1.00 0.41 C ATOM 318 O ILE A 39 10.241 -3.246 -6.606 1.00 0.47 O ATOM 319 CB ILE A 39 12.494 -0.776 -7.264 1.00 0.33 C ATOM 320 CG1 ILE A 39 12.818 0.411 -6.291 1.00 0.30 C ATOM 321 CG2 ILE A 39 11.328 -0.411 -8.194 1.00 0.42 C ATOM 322 CD1 ILE A 39 13.667 1.492 -6.902 1.00 0.25 C ATOM 0 H ILE A 39 14.189 -1.797 -6.105 1.00 0.31 H new ATOM 0 HA ILE A 39 11.336 -1.413 -5.618 1.00 0.37 H new ATOM 0 HB ILE A 39 13.313 -1.059 -7.925 1.00 0.33 H new ATOM 0 HG12 ILE A 39 11.882 0.850 -5.947 1.00 0.30 H new ATOM 0 HG13 ILE A 39 13.328 0.017 -5.412 1.00 0.30 H new ATOM 0 HG21 ILE A 39 11.648 0.362 -8.892 1.00 0.42 H new ATOM 0 HG22 ILE A 39 11.016 -1.295 -8.750 1.00 0.42 H new ATOM 0 HG23 ILE A 39 10.492 -0.041 -7.601 1.00 0.42 H new ATOM 0 HD11 ILE A 39 13.845 2.275 -6.165 1.00 0.25 H new ATOM 0 HD12 ILE A 39 14.620 1.070 -7.221 1.00 0.25 H new ATOM 0 HD13 ILE A 39 13.152 1.916 -7.764 1.00 0.25 H new ATOM 334 N LEU A 40 12.132 -3.948 -7.481 1.00 0.41 N ATOM 335 CA LEU A 40 11.456 -5.177 -7.971 1.00 0.44 C ATOM 336 C LEU A 40 11.065 -6.026 -6.747 1.00 0.48 C ATOM 337 O LEU A 40 9.979 -6.554 -6.750 1.00 0.56 O ATOM 338 CB LEU A 40 12.411 -5.968 -8.881 1.00 0.44 C ATOM 339 CG LEU A 40 12.720 -5.181 -10.150 1.00 0.41 C ATOM 340 CD1 LEU A 40 13.550 -6.083 -11.057 1.00 0.44 C ATOM 341 CD2 LEU A 40 11.425 -4.754 -10.870 1.00 0.40 C ATOM 0 H LEU A 40 13.123 -3.858 -7.704 1.00 0.41 H new ATOM 0 HA LEU A 40 10.567 -4.919 -8.547 1.00 0.44 H new ATOM 0 HB2 LEU A 40 13.336 -6.184 -8.346 1.00 0.44 H new ATOM 0 HB3 LEU A 40 11.963 -6.927 -9.142 1.00 0.44 H new ATOM 0 HG LEU A 40 13.265 -4.271 -9.899 1.00 0.41 H new ATOM 0 HD11 LEU A 40 13.790 -5.551 -11.978 1.00 0.44 H new ATOM 0 HD12 LEU A 40 14.472 -6.362 -10.547 1.00 0.44 H new ATOM 0 HD13 LEU A 40 12.981 -6.982 -11.295 1.00 0.44 H new ATOM 0 HD21 LEU A 40 11.677 -4.195 -11.771 1.00 0.40 H new ATOM 0 HD22 LEU A 40 10.851 -5.640 -11.141 1.00 0.40 H new ATOM 0 HD23 LEU A 40 10.831 -4.125 -10.207 1.00 0.40 H new ATOM 353 N GLN A 41 11.908 -6.157 -5.755 1.00 0.44 N ATOM 354 CA GLN A 41 11.543 -6.979 -4.556 1.00 0.48 C ATOM 355 C GLN A 41 10.165 -6.577 -4.031 1.00 0.57 C ATOM 356 O GLN A 41 9.283 -7.381 -3.812 1.00 0.74 O ATOM 357 CB GLN A 41 12.583 -6.797 -3.366 1.00 0.34 C ATOM 358 CG GLN A 41 12.018 -5.854 -2.213 1.00 1.73 C ATOM 359 CD GLN A 41 12.775 -5.842 -0.939 1.00 2.21 C ATOM 360 OE1 GLN A 41 13.021 -6.857 -0.335 1.00 2.88 O ATOM 361 NE2 GLN A 41 13.160 -4.697 -0.488 1.00 2.22 N ATOM 0 H GLN A 41 12.834 -5.731 -5.721 1.00 0.44 H new ATOM 0 HA GLN A 41 11.548 -8.019 -4.883 1.00 0.48 H new ATOM 0 HB2 GLN A 41 12.828 -7.773 -2.947 1.00 0.34 H new ATOM 0 HB3 GLN A 41 13.509 -6.376 -3.756 1.00 0.34 H new ATOM 0 HG2 GLN A 41 11.977 -4.834 -2.595 1.00 1.73 H new ATOM 0 HG3 GLN A 41 10.993 -6.155 -1.998 1.00 1.73 H new ATOM 0 HE21 GLN A 41 12.946 -3.846 -1.008 1.00 2.22 H new ATOM 0 HE22 GLN A 41 13.679 -4.642 0.389 1.00 2.22 H new ATOM 370 N ASP A 42 10.075 -5.291 -3.858 1.00 0.46 N ATOM 371 CA ASP A 42 8.871 -4.644 -3.347 1.00 0.50 C ATOM 372 C ASP A 42 7.739 -4.711 -4.347 1.00 0.53 C ATOM 373 O ASP A 42 6.649 -5.153 -4.044 1.00 0.62 O ATOM 374 CB ASP A 42 9.325 -3.208 -3.005 1.00 0.45 C ATOM 375 CG ASP A 42 10.091 -3.140 -1.699 1.00 0.58 C ATOM 376 OD1 ASP A 42 9.507 -3.511 -0.697 1.00 1.41 O ATOM 377 OD2 ASP A 42 11.223 -2.704 -1.718 1.00 1.68 O ATOM 0 H ASP A 42 10.835 -4.643 -4.065 1.00 0.46 H new ATOM 0 HA ASP A 42 8.458 -5.137 -2.467 1.00 0.50 H new ATOM 0 HB2 ASP A 42 9.952 -2.826 -3.811 1.00 0.45 H new ATOM 0 HB3 ASP A 42 8.452 -2.558 -2.945 1.00 0.45 H new ATOM 382 N LYS A 43 8.063 -4.271 -5.520 1.00 0.47 N ATOM 383 CA LYS A 43 7.126 -4.221 -6.648 1.00 0.47 C ATOM 384 C LYS A 43 7.687 -4.944 -7.904 1.00 0.46 C ATOM 385 O LYS A 43 8.154 -4.317 -8.834 1.00 0.40 O ATOM 386 CB LYS A 43 6.904 -2.735 -6.780 1.00 0.43 C ATOM 387 CG LYS A 43 5.792 -2.490 -7.772 1.00 0.45 C ATOM 388 CD LYS A 43 5.547 -0.960 -7.823 1.00 0.43 C ATOM 389 CE LYS A 43 4.845 -0.615 -9.115 1.00 0.46 C ATOM 390 NZ LYS A 43 3.632 -1.477 -9.204 1.00 1.15 N ATOM 0 H LYS A 43 8.995 -3.926 -5.747 1.00 0.47 H new ATOM 0 HA LYS A 43 6.187 -4.756 -6.508 1.00 0.47 H new ATOM 0 HB2 LYS A 43 6.646 -2.305 -5.812 1.00 0.43 H new ATOM 0 HB3 LYS A 43 7.820 -2.246 -7.112 1.00 0.43 H new ATOM 0 HG2 LYS A 43 6.066 -2.868 -8.757 1.00 0.45 H new ATOM 0 HG3 LYS A 43 4.885 -3.014 -7.470 1.00 0.45 H new ATOM 0 HD2 LYS A 43 4.943 -0.647 -6.972 1.00 0.43 H new ATOM 0 HD3 LYS A 43 6.494 -0.425 -7.755 1.00 0.43 H new ATOM 0 HE2 LYS A 43 4.569 0.439 -9.133 1.00 0.46 H new ATOM 0 HE3 LYS A 43 5.502 -0.787 -9.967 1.00 0.46 H new ATOM 0 HZ1 LYS A 43 2.822 -0.905 -9.519 1.00 1.15 H new ATOM 0 HZ2 LYS A 43 3.801 -2.244 -9.886 1.00 1.15 H new ATOM 0 HZ3 LYS A 43 3.426 -1.884 -8.269 1.00 1.15 H new ATOM 404 N PRO A 44 7.615 -6.256 -7.893 1.00 0.52 N ATOM 405 CA PRO A 44 8.123 -7.116 -9.008 1.00 0.55 C ATOM 406 C PRO A 44 7.623 -6.634 -10.371 1.00 0.45 C ATOM 407 O PRO A 44 8.325 -6.670 -11.360 1.00 0.56 O ATOM 408 CB PRO A 44 7.644 -8.523 -8.614 1.00 0.62 C ATOM 409 CG PRO A 44 7.669 -8.453 -7.072 1.00 0.71 C ATOM 410 CD PRO A 44 7.036 -7.082 -6.799 1.00 0.60 C ATOM 0 HA PRO A 44 9.206 -7.088 -9.130 1.00 0.55 H new ATOM 0 HB2 PRO A 44 6.646 -8.736 -8.996 1.00 0.62 H new ATOM 0 HB3 PRO A 44 8.304 -9.301 -8.998 1.00 0.62 H new ATOM 0 HG2 PRO A 44 7.097 -9.263 -6.618 1.00 0.71 H new ATOM 0 HG3 PRO A 44 8.683 -8.519 -6.678 1.00 0.71 H new ATOM 0 HD2 PRO A 44 5.948 -7.118 -6.846 1.00 0.60 H new ATOM 0 HD3 PRO A 44 7.300 -6.699 -5.813 1.00 0.60 H new ATOM 418 N GLU A 45 6.406 -6.176 -10.334 1.00 0.32 N ATOM 419 CA GLU A 45 5.706 -5.660 -11.540 1.00 0.36 C ATOM 420 C GLU A 45 6.077 -4.201 -11.809 1.00 0.41 C ATOM 421 O GLU A 45 5.414 -3.534 -12.576 1.00 0.75 O ATOM 422 CB GLU A 45 4.188 -5.799 -11.284 1.00 0.37 C ATOM 423 CG GLU A 45 3.816 -7.272 -10.980 1.00 1.41 C ATOM 424 CD GLU A 45 4.224 -8.158 -12.149 1.00 3.27 C ATOM 425 OE1 GLU A 45 3.563 -8.045 -13.166 1.00 3.86 O ATOM 426 OE2 GLU A 45 5.180 -8.877 -11.922 1.00 4.50 O ATOM 0 H GLU A 45 5.846 -6.137 -9.482 1.00 0.32 H new ATOM 0 HA GLU A 45 6.002 -6.229 -12.421 1.00 0.36 H new ATOM 0 HB2 GLU A 45 3.896 -5.165 -10.447 1.00 0.37 H new ATOM 0 HB3 GLU A 45 3.634 -5.451 -12.156 1.00 0.37 H new ATOM 0 HG2 GLU A 45 4.316 -7.603 -10.069 1.00 1.41 H new ATOM 0 HG3 GLU A 45 2.744 -7.357 -10.804 1.00 1.41 H new ATOM 433 N ALA A 46 7.110 -3.721 -11.182 1.00 0.33 N ATOM 434 CA ALA A 46 7.500 -2.317 -11.418 1.00 0.34 C ATOM 435 C ALA A 46 8.290 -1.970 -12.690 1.00 0.31 C ATOM 436 O ALA A 46 9.271 -2.605 -13.047 1.00 0.37 O ATOM 437 CB ALA A 46 8.332 -1.820 -10.215 1.00 0.33 C ATOM 0 H ALA A 46 7.693 -4.237 -10.524 1.00 0.33 H new ATOM 0 HA ALA A 46 6.537 -1.824 -11.554 1.00 0.34 H new ATOM 0 HB1 ALA A 46 8.626 -0.783 -10.379 1.00 0.33 H new ATOM 0 HB2 ALA A 46 7.734 -1.888 -9.306 1.00 0.33 H new ATOM 0 HB3 ALA A 46 9.224 -2.437 -10.110 1.00 0.33 H new ATOM 443 N GLN A 47 7.813 -0.935 -13.330 1.00 0.26 N ATOM 444 CA GLN A 47 8.508 -0.479 -14.564 1.00 0.22 C ATOM 445 C GLN A 47 9.329 0.675 -13.956 1.00 0.27 C ATOM 446 O GLN A 47 8.892 1.784 -13.704 1.00 0.34 O ATOM 447 CB GLN A 47 7.500 0.004 -15.677 1.00 0.27 C ATOM 448 CG GLN A 47 6.574 1.214 -15.439 1.00 1.27 C ATOM 449 CD GLN A 47 5.961 1.650 -16.781 1.00 1.30 C ATOM 450 OE1 GLN A 47 6.630 1.770 -17.786 1.00 1.26 O ATOM 451 NE2 GLN A 47 4.705 1.919 -16.901 1.00 2.41 N ATOM 0 H GLN A 47 6.990 -0.397 -13.058 1.00 0.26 H new ATOM 0 HA GLN A 47 9.089 -1.237 -15.089 1.00 0.22 H new ATOM 0 HB2 GLN A 47 8.089 0.223 -16.568 1.00 0.27 H new ATOM 0 HB3 GLN A 47 6.860 -0.845 -15.919 1.00 0.27 H new ATOM 0 HG2 GLN A 47 5.786 0.951 -14.733 1.00 1.27 H new ATOM 0 HG3 GLN A 47 7.136 2.037 -14.997 1.00 1.27 H new ATOM 0 HE21 GLN A 47 4.087 1.838 -16.094 1.00 2.41 H new ATOM 0 HE22 GLN A 47 4.330 2.213 -17.803 1.00 2.41 H new ATOM 460 N ILE A 48 10.549 0.294 -13.706 1.00 0.28 N ATOM 461 CA ILE A 48 11.598 1.177 -13.102 1.00 0.25 C ATOM 462 C ILE A 48 12.264 2.144 -14.118 1.00 0.31 C ATOM 463 O ILE A 48 13.174 1.825 -14.861 1.00 0.35 O ATOM 464 CB ILE A 48 12.641 0.239 -12.447 1.00 0.29 C ATOM 465 CG1 ILE A 48 11.862 -0.860 -11.640 1.00 0.27 C ATOM 466 CG2 ILE A 48 13.463 1.084 -11.467 1.00 0.30 C ATOM 467 CD1 ILE A 48 12.773 -1.716 -10.768 1.00 0.48 C ATOM 0 H ILE A 48 10.883 -0.648 -13.907 1.00 0.28 H new ATOM 0 HA ILE A 48 11.133 1.838 -12.370 1.00 0.25 H new ATOM 0 HB ILE A 48 13.287 -0.227 -13.191 1.00 0.29 H new ATOM 0 HG12 ILE A 48 11.113 -0.379 -11.011 1.00 0.27 H new ATOM 0 HG13 ILE A 48 11.326 -1.504 -12.338 1.00 0.27 H new ATOM 0 HG21 ILE A 48 14.211 0.456 -10.984 1.00 0.30 H new ATOM 0 HG22 ILE A 48 13.960 1.889 -12.009 1.00 0.30 H new ATOM 0 HG23 ILE A 48 12.803 1.509 -10.711 1.00 0.30 H new ATOM 0 HD11 ILE A 48 12.176 -2.457 -10.236 1.00 0.48 H new ATOM 0 HD12 ILE A 48 13.506 -2.223 -11.396 1.00 0.48 H new ATOM 0 HD13 ILE A 48 13.290 -1.081 -10.048 1.00 0.48 H new ATOM 479 N ILE A 49 11.727 3.327 -14.041 1.00 0.46 N ATOM 480 CA ILE A 49 12.075 4.542 -14.859 1.00 0.64 C ATOM 481 C ILE A 49 13.172 5.348 -14.189 1.00 0.65 C ATOM 482 O ILE A 49 13.271 5.311 -12.986 1.00 0.56 O ATOM 483 CB ILE A 49 10.823 5.355 -14.980 1.00 0.70 C ATOM 484 CG1 ILE A 49 9.905 4.489 -15.871 1.00 0.75 C ATOM 485 CG2 ILE A 49 11.135 6.808 -15.482 1.00 0.81 C ATOM 486 CD1 ILE A 49 8.793 5.298 -16.382 1.00 1.05 C ATOM 0 H ILE A 49 10.981 3.523 -13.373 1.00 0.46 H new ATOM 0 HA ILE A 49 12.449 4.252 -15.841 1.00 0.64 H new ATOM 0 HB ILE A 49 10.314 5.559 -14.038 1.00 0.70 H new ATOM 0 HG12 ILE A 49 10.476 4.075 -16.702 1.00 0.75 H new ATOM 0 HG13 ILE A 49 9.519 3.646 -15.298 1.00 0.75 H new ATOM 0 HG21 ILE A 49 10.206 7.373 -15.560 1.00 0.81 H new ATOM 0 HG22 ILE A 49 11.802 7.302 -14.776 1.00 0.81 H new ATOM 0 HG23 ILE A 49 11.613 6.760 -16.460 1.00 0.81 H new ATOM 0 HD11 ILE A 49 8.151 4.679 -17.009 1.00 1.05 H new ATOM 0 HD12 ILE A 49 8.214 5.690 -15.546 1.00 1.05 H new ATOM 0 HD13 ILE A 49 9.186 6.126 -16.971 1.00 1.05 H new ATOM 498 N VAL A 50 13.959 6.078 -14.927 1.00 0.79 N ATOM 499 CA VAL A 50 15.060 6.883 -14.334 1.00 0.80 C ATOM 500 C VAL A 50 15.112 8.395 -14.706 1.00 0.85 C ATOM 501 O VAL A 50 14.860 8.748 -15.842 1.00 1.01 O ATOM 502 CB VAL A 50 16.383 6.192 -14.753 1.00 0.84 C ATOM 503 CG1 VAL A 50 17.540 6.687 -13.897 1.00 0.72 C ATOM 504 CG2 VAL A 50 16.313 4.650 -14.654 1.00 0.93 C ATOM 0 H VAL A 50 13.882 6.151 -15.941 1.00 0.79 H new ATOM 0 HA VAL A 50 14.886 6.903 -13.258 1.00 0.80 H new ATOM 0 HB VAL A 50 16.544 6.455 -15.798 1.00 0.84 H new ATOM 0 HG11 VAL A 50 18.460 6.190 -14.206 1.00 0.72 H new ATOM 0 HG12 VAL A 50 17.650 7.764 -14.021 1.00 0.72 H new ATOM 0 HG13 VAL A 50 17.340 6.461 -12.850 1.00 0.72 H new ATOM 0 HG21 VAL A 50 17.268 4.222 -14.960 1.00 0.93 H new ATOM 0 HG22 VAL A 50 16.099 4.361 -13.625 1.00 0.93 H new ATOM 0 HG23 VAL A 50 15.523 4.279 -15.307 1.00 0.93 H new ATOM 514 N LEU A 51 15.420 9.228 -13.742 1.00 0.75 N ATOM 515 CA LEU A 51 15.534 10.720 -13.951 1.00 0.80 C ATOM 516 C LEU A 51 16.768 11.175 -13.143 1.00 0.64 C ATOM 517 O LEU A 51 17.154 10.419 -12.265 1.00 0.91 O ATOM 518 CB LEU A 51 14.288 11.454 -13.393 1.00 0.85 C ATOM 519 CG LEU A 51 14.161 11.262 -11.837 1.00 0.69 C ATOM 520 CD1 LEU A 51 13.618 12.525 -11.137 1.00 0.94 C ATOM 521 CD2 LEU A 51 13.188 10.094 -11.568 1.00 0.56 C ATOM 0 H LEU A 51 15.605 8.931 -12.784 1.00 0.75 H new ATOM 0 HA LEU A 51 15.617 10.948 -15.014 1.00 0.80 H new ATOM 0 HB2 LEU A 51 14.354 12.517 -13.626 1.00 0.85 H new ATOM 0 HB3 LEU A 51 13.391 11.076 -13.883 1.00 0.85 H new ATOM 0 HG LEU A 51 15.155 11.059 -11.439 1.00 0.69 H new ATOM 0 HD11 LEU A 51 13.548 12.345 -10.064 1.00 0.94 H new ATOM 0 HD12 LEU A 51 14.292 13.361 -11.321 1.00 0.94 H new ATOM 0 HD13 LEU A 51 12.630 12.763 -11.530 1.00 0.94 H new ATOM 0 HD21 LEU A 51 13.087 9.945 -10.493 1.00 0.56 H new ATOM 0 HD22 LEU A 51 12.213 10.327 -11.996 1.00 0.56 H new ATOM 0 HD23 LEU A 51 13.577 9.184 -12.025 1.00 0.56 H new ATOM 759 N ASP A 66 1.862 1.106 -11.447 1.00 0.57 N ATOM 760 CA ASP A 66 2.746 0.073 -12.068 1.00 0.54 C ATOM 761 C ASP A 66 4.220 0.544 -12.169 1.00 0.55 C ATOM 762 O ASP A 66 5.158 -0.229 -12.057 1.00 0.60 O ATOM 763 CB ASP A 66 2.163 -0.210 -13.454 1.00 0.46 C ATOM 764 CG ASP A 66 1.906 1.137 -14.139 1.00 0.57 C ATOM 765 OD1 ASP A 66 2.846 1.576 -14.777 1.00 1.14 O ATOM 766 OD2 ASP A 66 0.796 1.612 -13.943 1.00 1.29 O ATOM 0 HA ASP A 66 2.770 -0.826 -11.452 1.00 0.54 H new ATOM 0 HB2 ASP A 66 2.854 -0.812 -14.043 1.00 0.46 H new ATOM 0 HB3 ASP A 66 1.237 -0.779 -13.370 1.00 0.46 H new ATOM 771 N ARG A 67 4.409 1.815 -12.378 1.00 0.51 N ATOM 772 CA ARG A 67 5.796 2.346 -12.494 1.00 0.55 C ATOM 773 C ARG A 67 6.442 2.894 -11.222 1.00 0.58 C ATOM 774 O ARG A 67 5.810 3.034 -10.193 1.00 0.76 O ATOM 775 CB ARG A 67 5.723 3.415 -13.541 1.00 0.50 C ATOM 776 CG ARG A 67 4.943 4.620 -13.105 1.00 2.07 C ATOM 777 CD ARG A 67 5.211 5.617 -14.205 1.00 1.96 C ATOM 778 NE ARG A 67 5.681 6.818 -13.472 1.00 2.02 N ATOM 779 CZ ARG A 67 5.140 7.924 -13.781 1.00 2.44 C ATOM 780 NH1 ARG A 67 5.246 8.330 -14.977 1.00 2.23 N ATOM 781 NH2 ARG A 67 4.504 8.612 -12.929 1.00 3.13 N ATOM 0 H ARG A 67 3.667 2.508 -12.473 1.00 0.51 H new ATOM 0 HA ARG A 67 6.448 1.508 -12.741 1.00 0.55 H new ATOM 0 HB2 ARG A 67 6.734 3.722 -13.808 1.00 0.50 H new ATOM 0 HB3 ARG A 67 5.267 3.002 -14.441 1.00 0.50 H new ATOM 0 HG2 ARG A 67 3.880 4.400 -13.011 1.00 2.07 H new ATOM 0 HG3 ARG A 67 5.279 4.989 -12.136 1.00 2.07 H new ATOM 0 HD2 ARG A 67 5.964 5.252 -14.904 1.00 1.96 H new ATOM 0 HD3 ARG A 67 4.313 5.826 -14.785 1.00 1.96 H new ATOM 0 HE ARG A 67 6.404 6.758 -12.755 1.00 2.02 H new ATOM 0 HH11 ARG A 67 5.756 7.772 -15.662 1.00 2.23 H new ATOM 0 HH12 ARG A 67 4.822 9.215 -15.255 1.00 2.23 H new ATOM 0 HH21 ARG A 67 4.417 8.281 -11.968 1.00 3.13 H new ATOM 0 HH22 ARG A 67 4.079 9.498 -13.204 1.00 3.13 H new ATOM 795 N VAL A 68 7.714 3.130 -11.408 1.00 0.46 N ATOM 796 CA VAL A 68 8.587 3.701 -10.323 1.00 0.40 C ATOM 797 C VAL A 68 9.556 4.675 -11.024 1.00 0.49 C ATOM 798 O VAL A 68 10.124 4.287 -12.021 1.00 0.60 O ATOM 799 CB VAL A 68 9.368 2.554 -9.604 1.00 0.35 C ATOM 800 CG1 VAL A 68 10.329 3.188 -8.540 1.00 0.34 C ATOM 801 CG2 VAL A 68 8.359 1.653 -8.833 1.00 0.32 C ATOM 0 H VAL A 68 8.202 2.949 -12.285 1.00 0.46 H new ATOM 0 HA VAL A 68 8.002 4.215 -9.560 1.00 0.40 H new ATOM 0 HB VAL A 68 9.922 1.975 -10.343 1.00 0.35 H new ATOM 0 HG11 VAL A 68 10.880 2.397 -8.031 1.00 0.34 H new ATOM 0 HG12 VAL A 68 11.031 3.858 -9.037 1.00 0.34 H new ATOM 0 HG13 VAL A 68 9.745 3.750 -7.811 1.00 0.34 H new ATOM 0 HG21 VAL A 68 8.899 0.851 -8.329 1.00 0.32 H new ATOM 0 HG22 VAL A 68 7.827 2.252 -8.094 1.00 0.32 H new ATOM 0 HG23 VAL A 68 7.644 1.224 -9.535 1.00 0.32 H new ATOM 811 N ARG A 69 9.731 5.859 -10.519 1.00 0.50 N ATOM 812 CA ARG A 69 10.664 6.863 -11.146 1.00 0.61 C ATOM 813 C ARG A 69 11.931 6.731 -10.284 1.00 0.52 C ATOM 814 O ARG A 69 11.811 6.701 -9.075 1.00 0.46 O ATOM 815 CB ARG A 69 10.019 8.287 -11.032 1.00 0.79 C ATOM 816 CG ARG A 69 9.429 8.782 -12.368 1.00 0.57 C ATOM 817 CD ARG A 69 8.910 10.209 -12.134 1.00 0.79 C ATOM 818 NE ARG A 69 10.079 11.157 -12.107 1.00 1.10 N ATOM 819 CZ ARG A 69 10.280 12.053 -13.007 1.00 1.15 C ATOM 820 NH1 ARG A 69 9.307 12.594 -13.616 1.00 1.60 N ATOM 821 NH2 ARG A 69 11.457 12.414 -13.301 1.00 1.79 N ATOM 0 H ARG A 69 9.260 6.192 -9.678 1.00 0.50 H new ATOM 0 HA ARG A 69 10.873 6.705 -12.204 1.00 0.61 H new ATOM 0 HB2 ARG A 69 9.232 8.266 -10.278 1.00 0.79 H new ATOM 0 HB3 ARG A 69 10.772 8.996 -10.687 1.00 0.79 H new ATOM 0 HG2 ARG A 69 10.187 8.772 -13.151 1.00 0.57 H new ATOM 0 HG3 ARG A 69 8.622 8.128 -12.698 1.00 0.57 H new ATOM 0 HD2 ARG A 69 8.215 10.491 -12.925 1.00 0.79 H new ATOM 0 HD3 ARG A 69 8.361 10.261 -11.194 1.00 0.79 H new ATOM 0 HE ARG A 69 10.744 11.085 -11.337 1.00 1.10 H new ATOM 0 HH11 ARG A 69 8.350 12.319 -13.394 1.00 1.60 H new ATOM 0 HH12 ARG A 69 9.482 13.303 -14.328 1.00 1.60 H new ATOM 0 HH21 ARG A 69 12.254 11.993 -12.823 1.00 1.79 H new ATOM 0 HH22 ARG A 69 11.609 13.125 -14.016 1.00 1.79 H new ATOM 835 N LEU A 70 13.106 6.664 -10.850 1.00 0.52 N ATOM 836 CA LEU A 70 14.340 6.524 -9.981 1.00 0.46 C ATOM 837 C LEU A 70 15.166 7.794 -10.000 1.00 0.49 C ATOM 838 O LEU A 70 15.401 8.297 -11.075 1.00 0.56 O ATOM 839 CB LEU A 70 15.213 5.326 -10.485 1.00 0.45 C ATOM 840 CG LEU A 70 15.308 4.279 -9.344 1.00 0.34 C ATOM 841 CD1 LEU A 70 15.884 2.935 -9.801 1.00 0.36 C ATOM 842 CD2 LEU A 70 16.339 4.813 -8.383 1.00 0.30 C ATOM 0 H LEU A 70 13.277 6.698 -11.855 1.00 0.52 H new ATOM 0 HA LEU A 70 14.015 6.337 -8.958 1.00 0.46 H new ATOM 0 HB2 LEU A 70 14.768 4.879 -11.374 1.00 0.45 H new ATOM 0 HB3 LEU A 70 16.207 5.673 -10.766 1.00 0.45 H new ATOM 0 HG LEU A 70 14.305 4.126 -8.946 1.00 0.34 H new ATOM 0 HD11 LEU A 70 15.923 2.249 -8.955 1.00 0.36 H new ATOM 0 HD12 LEU A 70 15.250 2.514 -10.581 1.00 0.36 H new ATOM 0 HD13 LEU A 70 16.890 3.085 -10.193 1.00 0.36 H new ATOM 0 HD21 LEU A 70 16.455 4.119 -7.551 1.00 0.30 H new ATOM 0 HD22 LEU A 70 17.293 4.925 -8.898 1.00 0.30 H new ATOM 0 HD23 LEU A 70 16.016 5.783 -8.004 1.00 0.30 H new ATOM 854 N ALA A 71 15.601 8.281 -8.862 1.00 0.45 N ATOM 855 CA ALA A 71 16.414 9.539 -8.834 1.00 0.49 C ATOM 856 C ALA A 71 17.902 9.292 -8.547 1.00 0.41 C ATOM 857 O ALA A 71 18.393 9.310 -7.429 1.00 0.31 O ATOM 858 CB ALA A 71 15.787 10.416 -7.786 1.00 0.54 C ATOM 0 H ALA A 71 15.428 7.860 -7.949 1.00 0.45 H new ATOM 0 HA ALA A 71 16.403 10.012 -9.816 1.00 0.49 H new ATOM 0 HB1 ALA A 71 16.339 11.354 -7.718 1.00 0.54 H new ATOM 0 HB2 ALA A 71 14.752 10.623 -8.057 1.00 0.54 H new ATOM 0 HB3 ALA A 71 15.815 9.908 -6.822 1.00 0.54 H new ATOM 864 N VAL A 72 18.584 9.086 -9.628 1.00 0.47 N ATOM 865 CA VAL A 72 20.056 8.820 -9.562 1.00 0.44 C ATOM 866 C VAL A 72 20.841 10.025 -10.048 1.00 0.54 C ATOM 867 O VAL A 72 20.281 10.913 -10.654 1.00 0.63 O ATOM 868 CB VAL A 72 20.445 7.663 -10.460 1.00 0.47 C ATOM 869 CG1 VAL A 72 19.848 6.402 -9.960 1.00 0.36 C ATOM 870 CG2 VAL A 72 19.906 7.889 -11.852 1.00 0.57 C ATOM 0 H VAL A 72 18.190 9.089 -10.569 1.00 0.47 H new ATOM 0 HA VAL A 72 20.284 8.594 -8.520 1.00 0.44 H new ATOM 0 HB VAL A 72 21.533 7.596 -10.468 1.00 0.47 H new ATOM 0 HG11 VAL A 72 20.135 5.579 -10.614 1.00 0.36 H new ATOM 0 HG12 VAL A 72 20.207 6.205 -8.950 1.00 0.36 H new ATOM 0 HG13 VAL A 72 18.762 6.493 -9.948 1.00 0.36 H new ATOM 0 HG21 VAL A 72 20.189 7.053 -12.492 1.00 0.57 H new ATOM 0 HG22 VAL A 72 18.819 7.964 -11.814 1.00 0.57 H new ATOM 0 HG23 VAL A 72 20.320 8.813 -12.257 1.00 0.57 H new ATOM 880 N ASP A 73 22.110 10.051 -9.803 1.00 0.57 N ATOM 881 CA ASP A 73 22.927 11.207 -10.267 1.00 0.69 C ATOM 882 C ASP A 73 23.786 10.798 -11.483 1.00 0.66 C ATOM 883 O ASP A 73 23.334 10.142 -12.399 1.00 0.72 O ATOM 884 CB ASP A 73 23.794 11.664 -9.066 1.00 0.82 C ATOM 885 CG ASP A 73 24.738 10.545 -8.578 1.00 0.79 C ATOM 886 OD1 ASP A 73 24.500 9.379 -8.851 1.00 1.12 O ATOM 887 OD2 ASP A 73 25.675 10.974 -7.941 1.00 1.49 O ATOM 0 H ASP A 73 22.624 9.326 -9.302 1.00 0.57 H new ATOM 0 HA ASP A 73 22.298 12.034 -10.598 1.00 0.69 H new ATOM 0 HB2 ASP A 73 24.382 12.535 -9.354 1.00 0.82 H new ATOM 0 HB3 ASP A 73 23.145 11.974 -8.247 1.00 0.82 H new ATOM 892 N LYS A 74 25.015 11.224 -11.443 1.00 0.57 N ATOM 893 CA LYS A 74 26.041 10.989 -12.456 1.00 0.55 C ATOM 894 C LYS A 74 26.684 9.608 -12.252 1.00 0.57 C ATOM 895 O LYS A 74 27.174 8.986 -13.169 1.00 0.63 O ATOM 896 CB LYS A 74 27.095 12.113 -12.306 1.00 0.55 C ATOM 897 CG LYS A 74 26.616 13.405 -11.559 1.00 1.07 C ATOM 898 CD LYS A 74 26.892 13.178 -10.024 1.00 2.08 C ATOM 899 CE LYS A 74 26.226 14.224 -9.132 1.00 2.84 C ATOM 900 NZ LYS A 74 26.050 13.601 -7.773 1.00 4.04 N ATOM 0 H LYS A 74 25.363 11.779 -10.662 1.00 0.57 H new ATOM 0 HA LYS A 74 25.611 11.002 -13.457 1.00 0.55 H new ATOM 0 HB2 LYS A 74 27.957 11.708 -11.775 1.00 0.55 H new ATOM 0 HB3 LYS A 74 27.438 12.398 -13.301 1.00 0.55 H new ATOM 0 HG2 LYS A 74 27.153 14.282 -11.922 1.00 1.07 H new ATOM 0 HG3 LYS A 74 25.556 13.583 -11.738 1.00 1.07 H new ATOM 0 HD2 LYS A 74 26.536 12.188 -9.740 1.00 2.08 H new ATOM 0 HD3 LYS A 74 27.968 13.192 -9.849 1.00 2.08 H new ATOM 0 HE2 LYS A 74 26.840 15.122 -9.067 1.00 2.84 H new ATOM 0 HE3 LYS A 74 25.263 14.525 -9.545 1.00 2.84 H new ATOM 0 HZ1 LYS A 74 25.073 13.748 -7.447 1.00 4.04 H new ATOM 0 HZ2 LYS A 74 26.246 12.581 -7.831 1.00 4.04 H new ATOM 0 HZ3 LYS A 74 26.709 14.042 -7.101 1.00 4.04 H new ATOM 914 N LEU A 75 26.628 9.219 -11.008 1.00 0.62 N ATOM 915 CA LEU A 75 27.184 7.936 -10.497 1.00 0.69 C ATOM 916 C LEU A 75 26.135 6.868 -10.383 1.00 0.63 C ATOM 917 O LEU A 75 26.279 5.954 -9.601 1.00 0.51 O ATOM 918 CB LEU A 75 27.719 8.150 -9.121 1.00 0.90 C ATOM 919 CG LEU A 75 28.640 9.313 -8.952 1.00 1.06 C ATOM 920 CD1 LEU A 75 28.954 9.258 -7.463 1.00 1.24 C ATOM 921 CD2 LEU A 75 29.859 9.085 -9.811 1.00 1.10 C ATOM 0 H LEU A 75 26.188 9.781 -10.279 1.00 0.62 H new ATOM 0 HA LEU A 75 27.952 7.620 -11.202 1.00 0.69 H new ATOM 0 HB2 LEU A 75 26.877 8.276 -8.440 1.00 0.90 H new ATOM 0 HB3 LEU A 75 28.245 7.247 -8.812 1.00 0.90 H new ATOM 0 HG LEU A 75 28.241 10.283 -9.248 1.00 1.06 H new ATOM 0 HD11 LEU A 75 29.632 10.071 -7.204 1.00 1.24 H new ATOM 0 HD12 LEU A 75 28.031 9.359 -6.892 1.00 1.24 H new ATOM 0 HD13 LEU A 75 29.425 8.304 -7.225 1.00 1.24 H new ATOM 0 HD21 LEU A 75 30.544 9.925 -9.701 1.00 1.10 H new ATOM 0 HD22 LEU A 75 30.357 8.167 -9.499 1.00 1.10 H new ATOM 0 HD23 LEU A 75 29.557 8.998 -10.855 1.00 1.10 H new ATOM 933 N ASP A 76 25.116 6.983 -11.156 1.00 0.75 N ATOM 934 CA ASP A 76 24.037 5.965 -11.081 1.00 0.62 C ATOM 935 C ASP A 76 23.784 5.421 -9.629 1.00 0.49 C ATOM 936 O ASP A 76 23.536 4.248 -9.412 1.00 0.39 O ATOM 937 CB ASP A 76 24.415 4.810 -12.090 1.00 0.60 C ATOM 938 CG ASP A 76 25.907 4.452 -12.232 1.00 0.61 C ATOM 939 OD1 ASP A 76 26.680 5.308 -12.632 1.00 1.61 O ATOM 940 OD2 ASP A 76 26.171 3.299 -11.930 1.00 0.83 O ATOM 0 H ASP A 76 24.973 7.729 -11.837 1.00 0.75 H new ATOM 0 HA ASP A 76 23.089 6.427 -11.358 1.00 0.62 H new ATOM 0 HB2 ASP A 76 23.880 3.910 -11.787 1.00 0.60 H new ATOM 0 HB3 ASP A 76 24.040 5.087 -13.075 1.00 0.60 H new ATOM 945 N ASN A 77 23.864 6.322 -8.663 1.00 0.50 N ATOM 946 CA ASN A 77 23.620 5.926 -7.224 1.00 0.39 C ATOM 947 C ASN A 77 22.245 6.557 -6.987 1.00 0.39 C ATOM 948 O ASN A 77 21.881 7.469 -7.702 1.00 0.58 O ATOM 949 CB ASN A 77 24.493 6.617 -6.111 1.00 0.80 C ATOM 950 CG ASN A 77 25.998 6.441 -6.066 1.00 0.39 C ATOM 951 OD1 ASN A 77 26.605 6.683 -5.051 1.00 1.15 O ATOM 952 ND2 ASN A 77 26.726 6.064 -7.047 1.00 0.95 N ATOM 0 H ASN A 77 24.086 7.307 -8.807 1.00 0.50 H new ATOM 0 HA ASN A 77 23.795 4.854 -7.137 1.00 0.39 H new ATOM 0 HB2 ASN A 77 24.300 7.688 -6.176 1.00 0.80 H new ATOM 0 HB3 ASN A 77 24.105 6.281 -5.149 1.00 0.80 H new ATOM 0 HD21 ASN A 77 27.737 5.989 -6.933 1.00 0.95 H new ATOM 0 HD22 ASN A 77 26.296 5.839 -7.944 1.00 0.95 H new ATOM 959 N ILE A 78 21.497 6.127 -6.013 1.00 0.37 N ATOM 960 CA ILE A 78 20.168 6.783 -5.814 1.00 0.38 C ATOM 961 C ILE A 78 20.543 8.025 -5.076 1.00 0.31 C ATOM 962 O ILE A 78 20.871 7.995 -3.911 1.00 0.36 O ATOM 963 CB ILE A 78 19.248 5.879 -4.971 1.00 0.41 C ATOM 964 CG1 ILE A 78 19.042 4.540 -5.680 1.00 0.39 C ATOM 965 CG2 ILE A 78 17.860 6.563 -4.814 1.00 0.39 C ATOM 966 CD1 ILE A 78 19.005 4.780 -7.186 1.00 0.47 C ATOM 0 H ILE A 78 21.732 5.376 -5.364 1.00 0.37 H new ATOM 0 HA ILE A 78 19.618 6.979 -6.734 1.00 0.38 H new ATOM 0 HB ILE A 78 19.709 5.718 -3.996 1.00 0.41 H new ATOM 0 HG12 ILE A 78 19.849 3.852 -5.428 1.00 0.39 H new ATOM 0 HG13 ILE A 78 18.112 4.077 -5.349 1.00 0.39 H new ATOM 0 HG21 ILE A 78 17.206 5.926 -4.218 1.00 0.39 H new ATOM 0 HG22 ILE A 78 17.983 7.525 -4.316 1.00 0.39 H new ATOM 0 HG23 ILE A 78 17.417 6.718 -5.798 1.00 0.39 H new ATOM 0 HD11 ILE A 78 18.858 3.831 -7.702 1.00 0.47 H new ATOM 0 HD12 ILE A 78 18.184 5.455 -7.427 1.00 0.47 H new ATOM 0 HD13 ILE A 78 19.947 5.226 -7.507 1.00 0.47 H new ATOM 978 N ALA A 79 20.459 9.081 -5.822 1.00 0.19 N ATOM 979 CA ALA A 79 20.806 10.410 -5.280 1.00 0.11 C ATOM 980 C ALA A 79 19.629 10.878 -4.426 1.00 0.14 C ATOM 981 O ALA A 79 19.812 11.523 -3.412 1.00 0.15 O ATOM 982 CB ALA A 79 21.081 11.245 -6.520 1.00 0.15 C ATOM 0 H ALA A 79 20.160 9.078 -6.797 1.00 0.19 H new ATOM 0 HA ALA A 79 21.674 10.457 -4.623 1.00 0.11 H new ATOM 0 HB1 ALA A 79 21.350 12.259 -6.224 1.00 0.15 H new ATOM 0 HB2 ALA A 79 21.903 10.801 -7.083 1.00 0.15 H new ATOM 0 HB3 ALA A 79 20.188 11.274 -7.144 1.00 0.15 H new ATOM 988 N GLN A 80 18.456 10.537 -4.875 1.00 0.21 N ATOM 989 CA GLN A 80 17.215 10.914 -4.139 1.00 0.28 C ATOM 990 C GLN A 80 16.182 9.792 -4.167 1.00 0.34 C ATOM 991 O GLN A 80 16.302 8.831 -4.899 1.00 0.38 O ATOM 992 CB GLN A 80 16.651 12.214 -4.755 1.00 0.39 C ATOM 993 CG GLN A 80 16.569 13.285 -3.588 1.00 0.40 C ATOM 994 CD GLN A 80 16.218 14.694 -4.079 1.00 0.86 C ATOM 995 OE1 GLN A 80 17.013 15.617 -4.050 1.00 1.75 O ATOM 996 NE2 GLN A 80 15.029 14.901 -4.536 1.00 1.14 N ATOM 0 H GLN A 80 18.300 10.006 -5.732 1.00 0.21 H new ATOM 0 HA GLN A 80 17.457 11.083 -3.090 1.00 0.28 H new ATOM 0 HB2 GLN A 80 17.294 12.570 -5.560 1.00 0.39 H new ATOM 0 HB3 GLN A 80 15.666 12.040 -5.188 1.00 0.39 H new ATOM 0 HG2 GLN A 80 15.822 12.964 -2.862 1.00 0.40 H new ATOM 0 HG3 GLN A 80 17.526 13.318 -3.067 1.00 0.40 H new ATOM 0 HE21 GLN A 80 14.354 14.137 -4.566 1.00 1.14 H new ATOM 0 HE22 GLN A 80 14.764 15.829 -4.867 1.00 1.14 H new ATOM 1005 N VAL A 81 15.179 9.957 -3.352 1.00 0.38 N ATOM 1006 CA VAL A 81 14.094 8.932 -3.264 1.00 0.55 C ATOM 1007 C VAL A 81 13.601 8.551 -4.685 1.00 0.62 C ATOM 1008 O VAL A 81 13.311 9.410 -5.499 1.00 1.13 O ATOM 1009 CB VAL A 81 12.939 9.531 -2.397 1.00 0.83 C ATOM 1010 CG1 VAL A 81 11.922 8.417 -1.963 1.00 0.79 C ATOM 1011 CG2 VAL A 81 13.518 10.167 -1.105 1.00 0.96 C ATOM 0 H VAL A 81 15.060 10.762 -2.737 1.00 0.38 H new ATOM 0 HA VAL A 81 14.461 8.018 -2.797 1.00 0.55 H new ATOM 0 HB VAL A 81 12.431 10.280 -3.005 1.00 0.83 H new ATOM 0 HG11 VAL A 81 11.130 8.862 -1.361 1.00 0.79 H new ATOM 0 HG12 VAL A 81 11.488 7.955 -2.850 1.00 0.79 H new ATOM 0 HG13 VAL A 81 12.441 7.659 -1.376 1.00 0.79 H new ATOM 0 HG21 VAL A 81 12.706 10.581 -0.508 1.00 0.96 H new ATOM 0 HG22 VAL A 81 14.041 9.405 -0.527 1.00 0.96 H new ATOM 0 HG23 VAL A 81 14.215 10.962 -1.371 1.00 0.96 H new ATOM 1021 N PRO A 82 13.519 7.277 -4.966 1.00 0.34 N ATOM 1022 CA PRO A 82 12.665 6.803 -6.075 1.00 0.46 C ATOM 1023 C PRO A 82 11.276 6.429 -5.453 1.00 0.42 C ATOM 1024 O PRO A 82 11.199 5.912 -4.349 1.00 0.39 O ATOM 1025 CB PRO A 82 13.594 5.708 -6.587 1.00 0.45 C ATOM 1026 CG PRO A 82 13.970 4.966 -5.312 1.00 0.30 C ATOM 1027 CD PRO A 82 14.238 6.142 -4.312 1.00 0.30 C ATOM 0 HA PRO A 82 12.360 7.449 -6.898 1.00 0.46 H new ATOM 0 HB2 PRO A 82 13.095 5.055 -7.303 1.00 0.45 H new ATOM 0 HB3 PRO A 82 14.469 6.121 -7.088 1.00 0.45 H new ATOM 0 HG2 PRO A 82 13.167 4.314 -4.968 1.00 0.30 H new ATOM 0 HG3 PRO A 82 14.852 4.340 -5.450 1.00 0.30 H new ATOM 0 HD2 PRO A 82 13.845 5.929 -3.318 1.00 0.30 H new ATOM 0 HD3 PRO A 82 15.303 6.345 -4.198 1.00 0.30 H new ATOM 1035 N ARG A 83 10.221 6.710 -6.169 1.00 0.49 N ATOM 1036 CA ARG A 83 8.831 6.431 -5.729 1.00 0.49 C ATOM 1037 C ARG A 83 8.079 5.726 -6.849 1.00 0.51 C ATOM 1038 O ARG A 83 8.513 5.779 -7.976 1.00 0.50 O ATOM 1039 CB ARG A 83 8.262 7.813 -5.330 1.00 0.42 C ATOM 1040 CG ARG A 83 6.933 7.951 -5.937 1.00 2.52 C ATOM 1041 CD ARG A 83 6.213 9.265 -5.604 1.00 2.58 C ATOM 1042 NE ARG A 83 4.760 9.031 -5.943 1.00 4.62 N ATOM 1043 CZ ARG A 83 3.769 9.308 -5.167 1.00 5.17 C ATOM 1044 NH1 ARG A 83 3.862 9.221 -3.901 1.00 5.03 N ATOM 1045 NH2 ARG A 83 2.686 9.679 -5.721 1.00 6.10 N ATOM 0 H ARG A 83 10.276 7.145 -7.090 1.00 0.49 H new ATOM 0 HA ARG A 83 8.749 5.753 -4.880 1.00 0.49 H new ATOM 0 HB2 ARG A 83 8.196 7.899 -4.245 1.00 0.42 H new ATOM 0 HB3 ARG A 83 8.922 8.610 -5.673 1.00 0.42 H new ATOM 0 HG2 ARG A 83 7.032 7.870 -7.019 1.00 2.52 H new ATOM 0 HG3 ARG A 83 6.310 7.118 -5.611 1.00 2.52 H new ATOM 0 HD2 ARG A 83 6.333 9.522 -4.551 1.00 2.58 H new ATOM 0 HD3 ARG A 83 6.622 10.093 -6.183 1.00 2.58 H new ATOM 0 HE ARG A 83 4.547 8.624 -6.854 1.00 4.62 H new ATOM 0 HH11 ARG A 83 4.739 8.925 -3.473 1.00 5.03 H new ATOM 0 HH12 ARG A 83 3.059 9.447 -3.314 1.00 5.03 H new ATOM 0 HH21 ARG A 83 2.630 9.746 -6.737 1.00 6.10 H new ATOM 0 HH22 ARG A 83 1.873 9.909 -5.149 1.00 6.10 H new ATOM 1059 N VAL A 84 6.983 5.118 -6.503 1.00 0.55 N ATOM 1060 CA VAL A 84 6.177 4.400 -7.541 1.00 0.57 C ATOM 1061 C VAL A 84 5.570 5.278 -8.646 1.00 0.60 C ATOM 1062 O VAL A 84 6.131 5.503 -9.702 1.00 0.49 O ATOM 1063 CB VAL A 84 5.045 3.602 -6.787 1.00 0.67 C ATOM 1064 CG1 VAL A 84 4.011 3.007 -7.763 1.00 0.69 C ATOM 1065 CG2 VAL A 84 5.647 2.373 -6.180 1.00 0.64 C ATOM 0 H VAL A 84 6.607 5.083 -5.555 1.00 0.55 H new ATOM 0 HA VAL A 84 6.864 3.749 -8.081 1.00 0.57 H new ATOM 0 HB VAL A 84 4.596 4.302 -6.082 1.00 0.67 H new ATOM 0 HG11 VAL A 84 3.250 2.466 -7.201 1.00 0.69 H new ATOM 0 HG12 VAL A 84 3.541 3.811 -8.330 1.00 0.69 H new ATOM 0 HG13 VAL A 84 4.510 2.323 -8.449 1.00 0.69 H new ATOM 0 HG21 VAL A 84 4.875 1.811 -5.655 1.00 0.64 H new ATOM 0 HG22 VAL A 84 6.077 1.752 -6.966 1.00 0.64 H new ATOM 0 HG23 VAL A 84 6.429 2.660 -5.477 1.00 0.64 H new