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 -38:sc= 0.667 USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= -1.19! (180deg=-3.17!) USER MOD Single : A 31 SER OG : rot 180:sc= -1.82! USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.184 (180deg=-1.54!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= 0.984 (180deg=-1.06) USER MOD Single : A 47 GLN : amide:sc= 0.773 K(o=0.77,f=-0.097) USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= 0.898 (180deg=-0.918) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.35! C(o=-4.9!,f=-2.3!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.863 1.773 -1.729 1.00 0.51 N ATOM 43 CA THR A 22 6.393 2.711 -2.792 1.00 0.45 C ATOM 44 C THR A 22 7.327 3.881 -2.909 1.00 0.34 C ATOM 45 O THR A 22 7.312 4.568 -3.910 1.00 0.34 O ATOM 46 CB THR A 22 5.041 3.217 -2.437 1.00 0.61 C ATOM 47 OG1 THR A 22 5.182 3.586 -1.073 1.00 0.66 O ATOM 48 CG2 THR A 22 4.120 2.049 -2.366 1.00 0.72 C ATOM 0 HA THR A 22 6.363 2.176 -3.741 1.00 0.45 H new ATOM 0 HB THR A 22 4.693 3.989 -3.124 1.00 0.61 H new ATOM 0 HG1 THR A 22 5.760 2.939 -0.617 1.00 0.66 H new ATOM 0 HG21 THR A 22 3.118 2.391 -2.107 1.00 0.72 H new ATOM 0 HG22 THR A 22 4.093 1.547 -3.333 1.00 0.72 H new ATOM 0 HG23 THR A 22 4.474 1.352 -1.606 1.00 0.72 H new ATOM 56 N GLU A 23 8.100 4.107 -1.889 1.00 0.26 N ATOM 57 CA GLU A 23 9.054 5.247 -1.959 1.00 0.12 C ATOM 58 C GLU A 23 10.254 4.533 -1.411 1.00 0.11 C ATOM 59 O GLU A 23 10.097 3.695 -0.544 1.00 0.13 O ATOM 60 CB GLU A 23 8.560 6.411 -1.062 1.00 0.23 C ATOM 61 CG GLU A 23 7.091 6.740 -1.550 1.00 0.61 C ATOM 62 CD GLU A 23 6.435 7.900 -0.819 1.00 0.95 C ATOM 63 OE1 GLU A 23 6.024 7.678 0.302 1.00 1.69 O ATOM 64 OE2 GLU A 23 6.382 8.937 -1.454 1.00 1.28 O ATOM 0 H GLU A 23 8.116 3.565 -1.025 1.00 0.26 H new ATOM 0 HA GLU A 23 9.210 5.726 -2.926 1.00 0.12 H new ATOM 0 HB2 GLU A 23 8.567 6.124 -0.010 1.00 0.23 H new ATOM 0 HB3 GLU A 23 9.208 7.282 -1.159 1.00 0.23 H new ATOM 0 HG2 GLU A 23 7.117 6.965 -2.616 1.00 0.61 H new ATOM 0 HG3 GLU A 23 6.472 5.851 -1.427 1.00 0.61 H new ATOM 71 N TRP A 24 11.409 4.863 -1.889 1.00 0.12 N ATOM 72 CA TRP A 24 12.620 4.158 -1.387 1.00 0.10 C ATOM 73 C TRP A 24 13.705 4.957 -0.665 1.00 0.10 C ATOM 74 O TRP A 24 14.814 5.067 -1.151 1.00 0.13 O ATOM 75 CB TRP A 24 13.106 3.448 -2.644 1.00 0.22 C ATOM 76 CG TRP A 24 12.247 2.232 -2.973 1.00 0.14 C ATOM 77 CD1 TRP A 24 12.498 0.990 -2.509 1.00 0.14 C ATOM 78 CD2 TRP A 24 11.121 2.210 -3.719 1.00 0.10 C ATOM 79 NE1 TRP A 24 11.493 0.290 -3.001 1.00 0.13 N ATOM 80 CE2 TRP A 24 10.620 0.933 -3.735 1.00 0.10 C ATOM 81 CE3 TRP A 24 10.461 3.190 -4.415 1.00 0.11 C ATOM 82 CZ2 TRP A 24 9.483 0.613 -4.413 1.00 0.09 C ATOM 83 CZ3 TRP A 24 9.304 2.880 -5.108 1.00 0.09 C ATOM 84 CH2 TRP A 24 8.814 1.595 -5.104 1.00 0.08 C ATOM 0 H TRP A 24 11.574 5.579 -2.596 1.00 0.12 H new ATOM 0 HA TRP A 24 12.358 3.513 -0.548 1.00 0.10 H new ATOM 0 HB2 TRP A 24 13.090 4.143 -3.484 1.00 0.22 H new ATOM 0 HB3 TRP A 24 14.142 3.136 -2.508 1.00 0.22 H new ATOM 0 HD1 TRP A 24 13.316 0.653 -1.890 1.00 0.14 H new ATOM 0 HE1 TRP A 24 11.400 -0.709 -2.817 1.00 0.13 H new ATOM 0 HE3 TRP A 24 10.843 4.200 -4.422 1.00 0.11 H new ATOM 0 HZ2 TRP A 24 9.111 -0.401 -4.408 1.00 0.09 H new ATOM 0 HZ3 TRP A 24 8.783 3.652 -5.655 1.00 0.09 H new ATOM 0 HH2 TRP A 24 7.908 1.358 -5.641 1.00 0.08 H new ATOM 95 N PRO A 25 13.402 5.503 0.492 1.00 0.11 N ATOM 96 CA PRO A 25 14.449 6.210 1.293 1.00 0.10 C ATOM 97 C PRO A 25 15.605 5.206 1.519 1.00 0.12 C ATOM 98 O PRO A 25 16.769 5.466 1.283 1.00 0.07 O ATOM 99 CB PRO A 25 13.657 6.663 2.550 1.00 0.10 C ATOM 100 CG PRO A 25 12.481 5.640 2.644 1.00 0.19 C ATOM 101 CD PRO A 25 12.069 5.471 1.164 1.00 0.19 C ATOM 0 HA PRO A 25 14.935 7.081 0.852 1.00 0.10 H new ATOM 0 HB2 PRO A 25 14.280 6.639 3.444 1.00 0.10 H new ATOM 0 HB3 PRO A 25 13.290 7.684 2.444 1.00 0.10 H new ATOM 0 HG2 PRO A 25 12.798 4.696 3.088 1.00 0.19 H new ATOM 0 HG3 PRO A 25 11.661 6.019 3.253 1.00 0.19 H new ATOM 0 HD2 PRO A 25 11.541 4.534 0.987 1.00 0.19 H new ATOM 0 HD3 PRO A 25 11.416 6.274 0.823 1.00 0.19 H new ATOM 109 N GLU A 26 15.137 4.076 1.956 1.00 0.25 N ATOM 110 CA GLU A 26 15.911 2.838 2.300 1.00 0.34 C ATOM 111 C GLU A 26 17.155 2.551 1.422 1.00 0.42 C ATOM 112 O GLU A 26 18.116 1.944 1.859 1.00 0.55 O ATOM 113 CB GLU A 26 14.880 1.713 2.231 1.00 0.37 C ATOM 114 CG GLU A 26 15.470 0.374 2.734 1.00 0.65 C ATOM 115 CD GLU A 26 14.403 -0.702 2.571 1.00 0.94 C ATOM 116 OE1 GLU A 26 13.472 -0.716 3.361 1.00 1.43 O ATOM 117 OE2 GLU A 26 14.571 -1.467 1.638 1.00 1.18 O ATOM 0 H GLU A 26 14.136 3.946 2.105 1.00 0.25 H new ATOM 0 HA GLU A 26 16.365 2.951 3.284 1.00 0.34 H new ATOM 0 HB2 GLU A 26 14.010 1.978 2.832 1.00 0.37 H new ATOM 0 HB3 GLU A 26 14.534 1.597 1.204 1.00 0.37 H new ATOM 0 HG2 GLU A 26 16.363 0.114 2.166 1.00 0.65 H new ATOM 0 HG3 GLU A 26 15.770 0.458 3.779 1.00 0.65 H new ATOM 124 N LEU A 27 17.097 2.995 0.192 1.00 0.39 N ATOM 125 CA LEU A 27 18.233 2.775 -0.758 1.00 0.56 C ATOM 126 C LEU A 27 18.951 4.029 -1.322 1.00 0.32 C ATOM 127 O LEU A 27 19.659 3.902 -2.304 1.00 0.23 O ATOM 128 CB LEU A 27 17.655 1.855 -1.908 1.00 0.91 C ATOM 129 CG LEU A 27 16.341 2.414 -2.488 1.00 0.69 C ATOM 130 CD1 LEU A 27 16.598 3.665 -3.282 1.00 1.80 C ATOM 131 CD2 LEU A 27 15.639 1.420 -3.427 1.00 1.57 C ATOM 0 H LEU A 27 16.305 3.505 -0.199 1.00 0.39 H new ATOM 0 HA LEU A 27 19.047 2.315 -0.197 1.00 0.56 H new ATOM 0 HB2 LEU A 27 18.393 1.764 -2.705 1.00 0.91 H new ATOM 0 HB3 LEU A 27 17.481 0.852 -1.518 1.00 0.91 H new ATOM 0 HG LEU A 27 15.702 2.614 -1.628 1.00 0.69 H new ATOM 0 HD11 LEU A 27 15.657 4.042 -3.682 1.00 1.80 H new ATOM 0 HD12 LEU A 27 17.046 4.420 -2.636 1.00 1.80 H new ATOM 0 HD13 LEU A 27 17.278 3.441 -4.104 1.00 1.80 H new ATOM 0 HD21 LEU A 27 14.719 1.865 -3.807 1.00 1.57 H new ATOM 0 HD22 LEU A 27 16.298 1.181 -4.262 1.00 1.57 H new ATOM 0 HD23 LEU A 27 15.401 0.508 -2.879 1.00 1.57 H new ATOM 143 N VAL A 28 18.797 5.201 -0.751 1.00 0.35 N ATOM 144 CA VAL A 28 19.542 6.366 -1.351 1.00 0.19 C ATOM 145 C VAL A 28 21.026 6.206 -0.879 1.00 0.15 C ATOM 146 O VAL A 28 21.298 5.773 0.224 1.00 0.25 O ATOM 147 CB VAL A 28 18.925 7.684 -0.817 1.00 0.21 C ATOM 148 CG1 VAL A 28 19.653 8.889 -1.447 1.00 0.37 C ATOM 149 CG2 VAL A 28 17.446 7.779 -1.214 1.00 0.31 C ATOM 0 H VAL A 28 18.219 5.402 0.065 1.00 0.35 H new ATOM 0 HA VAL A 28 19.484 6.392 -2.439 1.00 0.19 H new ATOM 0 HB VAL A 28 19.026 7.692 0.268 1.00 0.21 H new ATOM 0 HG11 VAL A 28 19.218 9.815 -1.070 1.00 0.37 H new ATOM 0 HG12 VAL A 28 20.711 8.853 -1.185 1.00 0.37 H new ATOM 0 HG13 VAL A 28 19.546 8.853 -2.531 1.00 0.37 H new ATOM 0 HG21 VAL A 28 17.026 8.710 -0.832 1.00 0.31 H new ATOM 0 HG22 VAL A 28 17.359 7.760 -2.300 1.00 0.31 H new ATOM 0 HG23 VAL A 28 16.901 6.935 -0.792 1.00 0.31 H new ATOM 159 N GLY A 29 21.951 6.557 -1.731 1.00 0.13 N ATOM 160 CA GLY A 29 23.427 6.452 -1.432 1.00 0.29 C ATOM 161 C GLY A 29 23.913 5.040 -1.783 1.00 0.37 C ATOM 162 O GLY A 29 24.965 4.598 -1.376 1.00 0.40 O ATOM 0 H GLY A 29 21.745 6.927 -2.659 1.00 0.13 H new ATOM 0 HA2 GLY A 29 23.981 7.194 -2.008 1.00 0.29 H new ATOM 0 HA3 GLY A 29 23.613 6.662 -0.379 1.00 0.29 H new ATOM 166 N LYS A 30 23.109 4.364 -2.551 1.00 0.42 N ATOM 167 CA LYS A 30 23.404 2.954 -3.001 1.00 0.43 C ATOM 168 C LYS A 30 23.455 2.833 -4.530 1.00 0.30 C ATOM 169 O LYS A 30 23.366 3.856 -5.168 1.00 0.42 O ATOM 170 CB LYS A 30 22.294 2.089 -2.387 1.00 0.52 C ATOM 171 CG LYS A 30 22.364 2.129 -0.832 1.00 0.73 C ATOM 172 CD LYS A 30 23.591 1.313 -0.322 1.00 1.36 C ATOM 173 CE LYS A 30 23.130 0.032 0.374 1.00 1.45 C ATOM 174 NZ LYS A 30 22.450 -0.834 -0.634 1.00 1.62 N ATOM 0 H LYS A 30 22.226 4.734 -2.903 1.00 0.42 H new ATOM 0 HA LYS A 30 24.390 2.629 -2.669 1.00 0.43 H new ATOM 0 HB2 LYS A 30 21.320 2.446 -2.722 1.00 0.52 H new ATOM 0 HB3 LYS A 30 22.393 1.061 -2.734 1.00 0.52 H new ATOM 0 HG2 LYS A 30 22.439 3.162 -0.491 1.00 0.73 H new ATOM 0 HG3 LYS A 30 21.446 1.720 -0.410 1.00 0.73 H new ATOM 0 HD2 LYS A 30 24.243 1.065 -1.159 1.00 1.36 H new ATOM 0 HD3 LYS A 30 24.176 1.919 0.369 1.00 1.36 H new ATOM 0 HE2 LYS A 30 23.982 -0.490 0.810 1.00 1.45 H new ATOM 0 HE3 LYS A 30 22.449 0.269 1.192 1.00 1.45 H new ATOM 0 HZ1 LYS A 30 21.442 -0.922 -0.392 1.00 1.62 H new ATOM 0 HZ2 LYS A 30 22.544 -0.407 -1.578 1.00 1.62 H new ATOM 0 HZ3 LYS A 30 22.890 -1.776 -0.635 1.00 1.62 H new ATOM 188 N SER A 31 23.570 1.641 -5.074 1.00 0.11 N ATOM 189 CA SER A 31 23.622 1.516 -6.577 1.00 0.09 C ATOM 190 C SER A 31 22.202 1.413 -7.140 1.00 0.13 C ATOM 191 O SER A 31 21.250 1.099 -6.451 1.00 0.38 O ATOM 192 CB SER A 31 24.370 0.229 -7.056 1.00 0.13 C ATOM 193 OG SER A 31 23.524 -0.876 -6.728 1.00 0.19 O ATOM 0 H SER A 31 23.629 0.763 -4.558 1.00 0.11 H new ATOM 0 HA SER A 31 24.152 2.401 -6.930 1.00 0.09 H new ATOM 0 HB2 SER A 31 24.560 0.267 -8.129 1.00 0.13 H new ATOM 0 HB3 SER A 31 25.338 0.137 -6.563 1.00 0.13 H new ATOM 0 HG SER A 31 23.951 -1.711 -7.012 1.00 0.19 H new ATOM 199 N VAL A 32 22.082 1.682 -8.404 1.00 0.31 N ATOM 200 CA VAL A 32 20.754 1.608 -9.066 1.00 0.33 C ATOM 201 C VAL A 32 20.384 0.194 -9.275 1.00 0.28 C ATOM 202 O VAL A 32 19.350 -0.156 -8.763 1.00 0.34 O ATOM 203 CB VAL A 32 20.874 2.448 -10.371 1.00 0.37 C ATOM 204 CG1 VAL A 32 21.743 1.804 -11.477 1.00 0.40 C ATOM 205 CG2 VAL A 32 19.462 2.731 -10.842 1.00 0.35 C ATOM 0 H VAL A 32 22.853 1.953 -9.014 1.00 0.31 H new ATOM 0 HA VAL A 32 19.944 2.022 -8.465 1.00 0.33 H new ATOM 0 HB VAL A 32 21.410 3.370 -10.146 1.00 0.37 H new ATOM 0 HG11 VAL A 32 21.769 2.460 -12.347 1.00 0.40 H new ATOM 0 HG12 VAL A 32 22.756 1.656 -11.104 1.00 0.40 H new ATOM 0 HG13 VAL A 32 21.317 0.842 -11.760 1.00 0.40 H new ATOM 0 HG21 VAL A 32 19.495 3.320 -11.758 1.00 0.35 H new ATOM 0 HG22 VAL A 32 18.947 1.790 -11.034 1.00 0.35 H new ATOM 0 HG23 VAL A 32 18.926 3.287 -10.073 1.00 0.35 H new ATOM 215 N GLU A 33 21.144 -0.610 -9.936 1.00 0.27 N ATOM 216 CA GLU A 33 20.669 -1.997 -10.092 1.00 0.26 C ATOM 217 C GLU A 33 20.249 -2.559 -8.735 1.00 0.21 C ATOM 218 O GLU A 33 19.283 -3.288 -8.680 1.00 0.30 O ATOM 219 CB GLU A 33 21.812 -2.793 -10.766 1.00 0.30 C ATOM 220 CG GLU A 33 22.150 -2.204 -12.201 1.00 0.46 C ATOM 221 CD GLU A 33 20.936 -1.673 -12.970 1.00 0.64 C ATOM 222 OE1 GLU A 33 19.888 -2.296 -12.988 1.00 1.47 O ATOM 223 OE2 GLU A 33 21.095 -0.611 -13.544 1.00 1.25 O ATOM 0 H GLU A 33 22.042 -0.382 -10.362 1.00 0.27 H new ATOM 0 HA GLU A 33 19.782 -2.063 -10.722 1.00 0.26 H new ATOM 0 HB2 GLU A 33 22.702 -2.760 -10.137 1.00 0.30 H new ATOM 0 HB3 GLU A 33 21.525 -3.840 -10.858 1.00 0.30 H new ATOM 0 HG2 GLU A 33 22.874 -1.397 -12.088 1.00 0.46 H new ATOM 0 HG3 GLU A 33 22.630 -2.982 -12.796 1.00 0.46 H new ATOM 230 N GLU A 34 20.935 -2.229 -7.676 1.00 0.09 N ATOM 231 CA GLU A 34 20.518 -2.751 -6.357 1.00 0.06 C ATOM 232 C GLU A 34 19.206 -2.000 -6.037 1.00 0.13 C ATOM 233 O GLU A 34 18.177 -2.605 -5.884 1.00 0.08 O ATOM 234 CB GLU A 34 21.600 -2.415 -5.410 1.00 0.19 C ATOM 235 CG GLU A 34 21.185 -2.744 -3.977 1.00 0.66 C ATOM 236 CD GLU A 34 22.267 -2.212 -3.060 1.00 1.30 C ATOM 237 OE1 GLU A 34 22.654 -1.066 -3.243 1.00 1.90 O ATOM 238 OE2 GLU A 34 22.662 -2.965 -2.195 1.00 1.74 O ATOM 0 H GLU A 34 21.758 -1.626 -7.672 1.00 0.09 H new ATOM 0 HA GLU A 34 20.351 -3.827 -6.313 1.00 0.06 H new ATOM 0 HB2 GLU A 34 22.502 -2.970 -5.669 1.00 0.19 H new ATOM 0 HB3 GLU A 34 21.843 -1.355 -5.489 1.00 0.19 H new ATOM 0 HG2 GLU A 34 20.223 -2.288 -3.741 1.00 0.66 H new ATOM 0 HG3 GLU A 34 21.068 -3.820 -3.849 1.00 0.66 H new ATOM 245 N ALA A 35 19.215 -0.712 -5.942 1.00 0.28 N ATOM 246 CA ALA A 35 17.976 0.067 -5.638 1.00 0.38 C ATOM 247 C ALA A 35 16.720 -0.462 -6.299 1.00 0.51 C ATOM 248 O ALA A 35 15.663 -0.596 -5.733 1.00 0.62 O ATOM 249 CB ALA A 35 18.244 1.474 -6.097 1.00 0.39 C ATOM 0 H ALA A 35 20.050 -0.140 -6.065 1.00 0.28 H new ATOM 0 HA ALA A 35 17.775 -0.007 -4.569 1.00 0.38 H new ATOM 0 HB1 ALA A 35 17.369 2.094 -5.900 1.00 0.39 H new ATOM 0 HB2 ALA A 35 19.102 1.875 -5.558 1.00 0.39 H new ATOM 0 HB3 ALA A 35 18.455 1.474 -7.166 1.00 0.39 H new ATOM 255 N LYS A 36 16.950 -0.749 -7.526 1.00 0.52 N ATOM 256 CA LYS A 36 15.944 -1.280 -8.443 1.00 0.55 C ATOM 257 C LYS A 36 15.699 -2.709 -7.962 1.00 0.36 C ATOM 258 O LYS A 36 14.558 -3.028 -7.732 1.00 0.33 O ATOM 259 CB LYS A 36 16.632 -0.937 -9.780 1.00 0.94 C ATOM 260 CG LYS A 36 16.900 -2.037 -10.546 1.00 1.53 C ATOM 261 CD LYS A 36 17.027 -1.587 -12.028 1.00 0.90 C ATOM 262 CE LYS A 36 17.810 -0.268 -12.247 1.00 1.10 C ATOM 263 NZ LYS A 36 18.407 -0.297 -13.612 1.00 0.54 N ATOM 0 H LYS A 36 17.865 -0.626 -7.959 1.00 0.52 H new ATOM 0 HA LYS A 36 14.921 -0.913 -8.522 1.00 0.55 H new ATOM 0 HB2 LYS A 36 15.995 -0.256 -10.344 1.00 0.94 H new ATOM 0 HB3 LYS A 36 17.563 -0.408 -9.577 1.00 0.94 H new ATOM 0 HG2 LYS A 36 17.822 -2.514 -10.215 1.00 1.53 H new ATOM 0 HG3 LYS A 36 16.104 -2.775 -10.441 1.00 1.53 H new ATOM 0 HD2 LYS A 36 17.517 -2.381 -12.592 1.00 0.90 H new ATOM 0 HD3 LYS A 36 16.026 -1.471 -12.444 1.00 0.90 H new ATOM 0 HE2 LYS A 36 17.145 0.590 -12.142 1.00 1.10 H new ATOM 0 HE3 LYS A 36 18.591 -0.161 -11.494 1.00 1.10 H new ATOM 0 HZ1 LYS A 36 19.252 0.308 -13.634 1.00 0.54 H new ATOM 0 HZ2 LYS A 36 18.673 -1.273 -13.854 1.00 0.54 H new ATOM 0 HZ3 LYS A 36 17.712 0.053 -14.302 1.00 0.54 H new ATOM 277 N LYS A 37 16.687 -3.542 -7.799 1.00 0.26 N ATOM 278 CA LYS A 37 16.428 -4.937 -7.305 1.00 0.14 C ATOM 279 C LYS A 37 15.520 -4.788 -6.068 1.00 0.13 C ATOM 280 O LYS A 37 14.579 -5.533 -5.884 1.00 0.12 O ATOM 281 CB LYS A 37 17.800 -5.600 -6.964 1.00 0.12 C ATOM 282 CG LYS A 37 18.257 -5.561 -5.508 1.00 1.24 C ATOM 283 CD LYS A 37 19.753 -6.057 -5.409 1.00 1.40 C ATOM 284 CE LYS A 37 19.920 -7.552 -5.085 1.00 1.04 C ATOM 285 NZ LYS A 37 21.391 -7.888 -5.199 1.00 1.92 N ATOM 0 H LYS A 37 17.666 -3.324 -7.985 1.00 0.26 H new ATOM 0 HA LYS A 37 15.937 -5.575 -8.040 1.00 0.14 H new ATOM 0 HB2 LYS A 37 17.756 -6.644 -7.275 1.00 0.12 H new ATOM 0 HB3 LYS A 37 18.567 -5.118 -7.571 1.00 0.12 H new ATOM 0 HG2 LYS A 37 18.173 -4.547 -5.117 1.00 1.24 H new ATOM 0 HG3 LYS A 37 17.613 -6.193 -4.897 1.00 1.24 H new ATOM 0 HD2 LYS A 37 20.253 -5.847 -6.354 1.00 1.40 H new ATOM 0 HD3 LYS A 37 20.263 -5.475 -4.642 1.00 1.40 H new ATOM 0 HE2 LYS A 37 19.555 -7.768 -4.081 1.00 1.04 H new ATOM 0 HE3 LYS A 37 19.335 -8.160 -5.775 1.00 1.04 H new ATOM 0 HZ1 LYS A 37 21.535 -8.896 -4.985 1.00 1.92 H new ATOM 0 HZ2 LYS A 37 21.718 -7.690 -6.166 1.00 1.92 H new ATOM 0 HZ3 LYS A 37 21.932 -7.310 -4.525 1.00 1.92 H new ATOM 299 N VAL A 38 15.835 -3.800 -5.260 1.00 0.16 N ATOM 300 CA VAL A 38 15.005 -3.566 -4.032 1.00 0.16 C ATOM 301 C VAL A 38 13.603 -3.238 -4.557 1.00 0.15 C ATOM 302 O VAL A 38 12.672 -3.980 -4.374 1.00 0.40 O ATOM 303 CB VAL A 38 15.648 -2.391 -3.237 1.00 0.16 C ATOM 304 CG1 VAL A 38 14.638 -1.792 -2.252 1.00 0.10 C ATOM 305 CG2 VAL A 38 16.890 -2.894 -2.484 1.00 0.22 C ATOM 0 H VAL A 38 16.615 -3.157 -5.393 1.00 0.16 H new ATOM 0 HA VAL A 38 14.951 -4.416 -3.352 1.00 0.16 H new ATOM 0 HB VAL A 38 15.946 -1.612 -3.939 1.00 0.16 H new ATOM 0 HG11 VAL A 38 15.105 -0.973 -1.705 1.00 0.10 H new ATOM 0 HG12 VAL A 38 13.774 -1.417 -2.800 1.00 0.10 H new ATOM 0 HG13 VAL A 38 14.316 -2.560 -1.549 1.00 0.10 H new ATOM 0 HG21 VAL A 38 17.338 -2.070 -1.929 1.00 0.22 H new ATOM 0 HG22 VAL A 38 16.600 -3.683 -1.791 1.00 0.22 H new ATOM 0 HG23 VAL A 38 17.614 -3.286 -3.198 1.00 0.22 H new ATOM 315 N ILE A 39 13.478 -2.135 -5.219 1.00 0.22 N ATOM 316 CA ILE A 39 12.177 -1.681 -5.803 1.00 0.16 C ATOM 317 C ILE A 39 11.398 -2.851 -6.404 1.00 0.10 C ATOM 318 O ILE A 39 10.196 -2.888 -6.292 1.00 0.13 O ATOM 319 CB ILE A 39 12.576 -0.604 -6.796 1.00 0.19 C ATOM 320 CG1 ILE A 39 13.032 0.569 -5.886 1.00 0.18 C ATOM 321 CG2 ILE A 39 11.379 -0.160 -7.684 1.00 0.17 C ATOM 322 CD1 ILE A 39 13.858 1.596 -6.593 1.00 0.13 C ATOM 0 H ILE A 39 14.253 -1.495 -5.392 1.00 0.22 H new ATOM 0 HA ILE A 39 11.480 -1.279 -5.068 1.00 0.16 H new ATOM 0 HB ILE A 39 13.343 -0.948 -7.490 1.00 0.19 H new ATOM 0 HG12 ILE A 39 12.151 1.053 -5.464 1.00 0.18 H new ATOM 0 HG13 ILE A 39 13.606 0.167 -5.051 1.00 0.18 H new ATOM 0 HG21 ILE A 39 11.709 0.611 -8.380 1.00 0.17 H new ATOM 0 HG22 ILE A 39 11.003 -1.017 -8.243 1.00 0.17 H new ATOM 0 HG23 ILE A 39 10.585 0.237 -7.052 1.00 0.17 H new ATOM 0 HD11 ILE A 39 14.138 2.383 -5.893 1.00 0.13 H new ATOM 0 HD12 ILE A 39 14.758 1.128 -6.992 1.00 0.13 H new ATOM 0 HD13 ILE A 39 13.281 2.027 -7.411 1.00 0.13 H new ATOM 334 N LEU A 40 12.067 -3.771 -7.038 1.00 0.12 N ATOM 335 CA LEU A 40 11.365 -4.949 -7.630 1.00 0.13 C ATOM 336 C LEU A 40 10.997 -5.824 -6.431 1.00 0.15 C ATOM 337 O LEU A 40 9.890 -6.293 -6.365 1.00 0.15 O ATOM 338 CB LEU A 40 12.317 -5.701 -8.614 1.00 0.23 C ATOM 339 CG LEU A 40 12.673 -4.783 -9.792 1.00 0.35 C ATOM 340 CD1 LEU A 40 13.581 -5.535 -10.768 1.00 0.59 C ATOM 341 CD2 LEU A 40 11.385 -4.369 -10.524 1.00 0.29 C ATOM 0 H LEU A 40 13.078 -3.760 -7.174 1.00 0.12 H new ATOM 0 HA LEU A 40 10.484 -4.671 -8.208 1.00 0.13 H new ATOM 0 HB2 LEU A 40 13.224 -6.009 -8.094 1.00 0.23 H new ATOM 0 HB3 LEU A 40 11.835 -6.608 -8.980 1.00 0.23 H new ATOM 0 HG LEU A 40 13.187 -3.897 -9.418 1.00 0.35 H new ATOM 0 HD11 LEU A 40 13.834 -4.884 -11.605 1.00 0.59 H new ATOM 0 HD12 LEU A 40 14.494 -5.839 -10.255 1.00 0.59 H new ATOM 0 HD13 LEU A 40 13.063 -6.419 -11.140 1.00 0.59 H new ATOM 0 HD21 LEU A 40 11.636 -3.717 -11.361 1.00 0.29 H new ATOM 0 HD22 LEU A 40 10.876 -5.258 -10.896 1.00 0.29 H new ATOM 0 HD23 LEU A 40 10.729 -3.838 -9.834 1.00 0.29 H new ATOM 353 N GLN A 41 11.887 -6.050 -5.507 1.00 0.20 N ATOM 354 CA GLN A 41 11.571 -6.887 -4.306 1.00 0.26 C ATOM 355 C GLN A 41 10.211 -6.422 -3.745 1.00 0.28 C ATOM 356 O GLN A 41 9.332 -7.202 -3.444 1.00 0.35 O ATOM 357 CB GLN A 41 12.709 -6.701 -3.233 1.00 0.22 C ATOM 358 CG GLN A 41 12.356 -5.684 -2.065 1.00 1.70 C ATOM 359 CD GLN A 41 13.488 -5.393 -1.101 1.00 1.89 C ATOM 360 OE1 GLN A 41 13.371 -4.544 -0.244 1.00 3.63 O ATOM 361 NE2 GLN A 41 14.607 -6.042 -1.153 1.00 0.34 N ATOM 0 H GLN A 41 12.839 -5.685 -5.530 1.00 0.20 H new ATOM 0 HA GLN A 41 11.515 -7.943 -4.568 1.00 0.26 H new ATOM 0 HB2 GLN A 41 12.939 -7.672 -2.794 1.00 0.22 H new ATOM 0 HB3 GLN A 41 13.612 -6.356 -3.736 1.00 0.22 H new ATOM 0 HG2 GLN A 41 12.028 -4.744 -2.509 1.00 1.70 H new ATOM 0 HG3 GLN A 41 11.512 -6.082 -1.501 1.00 1.70 H new ATOM 0 HE21 GLN A 41 14.745 -6.764 -1.860 1.00 0.34 H new ATOM 0 HE22 GLN A 41 15.350 -5.831 -0.487 1.00 0.34 H new ATOM 370 N ASP A 42 10.136 -5.126 -3.643 1.00 0.26 N ATOM 371 CA ASP A 42 8.957 -4.409 -3.134 1.00 0.26 C ATOM 372 C ASP A 42 7.753 -4.491 -4.047 1.00 0.25 C ATOM 373 O ASP A 42 6.690 -4.977 -3.720 1.00 0.38 O ATOM 374 CB ASP A 42 9.378 -2.971 -2.971 1.00 0.28 C ATOM 375 CG ASP A 42 10.390 -2.791 -1.895 1.00 0.72 C ATOM 376 OD1 ASP A 42 10.011 -3.064 -0.769 1.00 0.35 O ATOM 377 OD2 ASP A 42 11.483 -2.374 -2.238 1.00 1.63 O ATOM 0 H ASP A 42 10.900 -4.506 -3.912 1.00 0.26 H new ATOM 0 HA ASP A 42 8.639 -4.868 -2.198 1.00 0.26 H new ATOM 0 HB2 ASP A 42 9.786 -2.606 -3.914 1.00 0.28 H new ATOM 0 HB3 ASP A 42 8.502 -2.363 -2.747 1.00 0.28 H new ATOM 382 N LYS A 43 8.035 -3.972 -5.190 1.00 0.12 N ATOM 383 CA LYS A 43 7.103 -3.864 -6.310 1.00 0.11 C ATOM 384 C LYS A 43 7.638 -4.662 -7.521 1.00 0.10 C ATOM 385 O LYS A 43 8.060 -4.064 -8.484 1.00 0.06 O ATOM 386 CB LYS A 43 7.015 -2.343 -6.468 1.00 0.17 C ATOM 387 CG LYS A 43 5.903 -1.976 -7.415 1.00 0.23 C ATOM 388 CD LYS A 43 5.842 -0.423 -7.633 1.00 0.28 C ATOM 389 CE LYS A 43 4.634 -0.176 -8.438 1.00 0.66 C ATOM 390 NZ LYS A 43 3.468 -0.379 -7.516 1.00 2.05 N ATOM 0 H LYS A 43 8.956 -3.588 -5.402 1.00 0.12 H new ATOM 0 HA LYS A 43 6.110 -4.296 -6.181 1.00 0.11 H new ATOM 0 HB2 LYS A 43 6.842 -1.880 -5.497 1.00 0.17 H new ATOM 0 HB3 LYS A 43 7.962 -1.955 -6.842 1.00 0.17 H new ATOM 0 HG2 LYS A 43 6.055 -2.476 -8.372 1.00 0.23 H new ATOM 0 HG3 LYS A 43 4.951 -2.329 -7.019 1.00 0.23 H new ATOM 0 HD2 LYS A 43 5.791 0.104 -6.680 1.00 0.28 H new ATOM 0 HD3 LYS A 43 6.734 -0.065 -8.147 1.00 0.28 H new ATOM 0 HE2 LYS A 43 4.637 0.835 -8.845 1.00 0.66 H new ATOM 0 HE3 LYS A 43 4.584 -0.860 -9.285 1.00 0.66 H new ATOM 0 HZ1 LYS A 43 2.745 0.344 -7.706 1.00 2.05 H new ATOM 0 HZ2 LYS A 43 3.062 -1.324 -7.673 1.00 2.05 H new ATOM 0 HZ3 LYS A 43 3.787 -0.299 -6.530 1.00 2.05 H new ATOM 404 N PRO A 44 7.602 -5.979 -7.468 1.00 0.18 N ATOM 405 CA PRO A 44 8.171 -6.868 -8.538 1.00 0.21 C ATOM 406 C PRO A 44 7.880 -6.406 -9.967 1.00 0.23 C ATOM 407 O PRO A 44 8.709 -6.505 -10.848 1.00 0.28 O ATOM 408 CB PRO A 44 7.585 -8.245 -8.193 1.00 0.23 C ATOM 409 CG PRO A 44 7.548 -8.192 -6.653 1.00 0.33 C ATOM 410 CD PRO A 44 7.004 -6.781 -6.365 1.00 0.28 C ATOM 0 HA PRO A 44 9.261 -6.864 -8.541 1.00 0.21 H new ATOM 0 HB2 PRO A 44 6.593 -8.387 -8.622 1.00 0.23 H new ATOM 0 HB3 PRO A 44 8.210 -9.059 -8.560 1.00 0.23 H new ATOM 0 HG2 PRO A 44 6.902 -8.966 -6.238 1.00 0.33 H new ATOM 0 HG3 PRO A 44 8.538 -8.338 -6.221 1.00 0.33 H new ATOM 0 HD2 PRO A 44 5.915 -6.753 -6.386 1.00 0.28 H new ATOM 0 HD3 PRO A 44 7.313 -6.418 -5.385 1.00 0.28 H new ATOM 418 N GLU A 45 6.676 -5.917 -10.076 1.00 0.18 N ATOM 419 CA GLU A 45 6.046 -5.379 -11.319 1.00 0.16 C ATOM 420 C GLU A 45 6.638 -4.050 -11.821 1.00 0.19 C ATOM 421 O GLU A 45 6.595 -3.738 -12.995 1.00 0.54 O ATOM 422 CB GLU A 45 4.511 -5.216 -11.001 1.00 0.45 C ATOM 423 CG GLU A 45 4.332 -4.021 -9.955 1.00 2.04 C ATOM 424 CD GLU A 45 2.937 -3.806 -9.339 1.00 2.14 C ATOM 425 OE1 GLU A 45 2.000 -4.484 -9.716 1.00 1.96 O ATOM 426 OE2 GLU A 45 2.927 -2.928 -8.482 1.00 2.77 O ATOM 0 H GLU A 45 6.048 -5.866 -9.274 1.00 0.18 H new ATOM 0 HA GLU A 45 6.239 -6.077 -12.133 1.00 0.16 H new ATOM 0 HB2 GLU A 45 3.955 -5.005 -11.915 1.00 0.45 H new ATOM 0 HB3 GLU A 45 4.109 -6.142 -10.590 1.00 0.45 H new ATOM 0 HG2 GLU A 45 5.037 -4.182 -9.139 1.00 2.04 H new ATOM 0 HG3 GLU A 45 4.625 -3.096 -10.451 1.00 2.04 H new ATOM 433 N ALA A 46 7.177 -3.328 -10.886 1.00 0.21 N ATOM 434 CA ALA A 46 7.782 -2.000 -11.135 1.00 0.19 C ATOM 435 C ALA A 46 8.567 -1.719 -12.422 1.00 0.22 C ATOM 436 O ALA A 46 9.638 -2.249 -12.648 1.00 0.35 O ATOM 437 CB ALA A 46 8.683 -1.666 -9.929 1.00 0.15 C ATOM 0 H ALA A 46 7.223 -3.623 -9.911 1.00 0.21 H new ATOM 0 HA ALA A 46 6.906 -1.367 -11.276 1.00 0.19 H new ATOM 0 HB1 ALA A 46 9.146 -0.691 -10.080 1.00 0.15 H new ATOM 0 HB2 ALA A 46 8.082 -1.645 -9.020 1.00 0.15 H new ATOM 0 HB3 ALA A 46 9.459 -2.425 -9.833 1.00 0.15 H new ATOM 443 N GLN A 47 8.024 -0.871 -13.248 1.00 0.11 N ATOM 444 CA GLN A 47 8.728 -0.522 -14.506 1.00 0.06 C ATOM 445 C GLN A 47 9.573 0.655 -13.977 1.00 0.12 C ATOM 446 O GLN A 47 9.255 1.828 -14.001 1.00 0.26 O ATOM 447 CB GLN A 47 7.706 -0.099 -15.622 1.00 0.19 C ATOM 448 CG GLN A 47 6.804 1.142 -15.370 1.00 1.19 C ATOM 449 CD GLN A 47 6.173 1.649 -16.669 1.00 1.23 C ATOM 450 OE1 GLN A 47 6.817 1.922 -17.659 1.00 1.43 O ATOM 451 NE2 GLN A 47 4.896 1.812 -16.737 1.00 2.25 N ATOM 0 H GLN A 47 7.127 -0.407 -13.105 1.00 0.11 H new ATOM 0 HA GLN A 47 9.302 -1.315 -14.985 1.00 0.06 H new ATOM 0 HB2 GLN A 47 8.270 0.082 -16.537 1.00 0.19 H new ATOM 0 HB3 GLN A 47 7.053 -0.950 -15.813 1.00 0.19 H new ATOM 0 HG2 GLN A 47 6.019 0.884 -14.659 1.00 1.19 H new ATOM 0 HG3 GLN A 47 7.396 1.937 -14.917 1.00 1.19 H new ATOM 0 HE21 GLN A 47 4.311 1.596 -15.930 1.00 2.25 H new ATOM 0 HE22 GLN A 47 4.471 2.157 -17.598 1.00 2.25 H new ATOM 460 N ILE A 48 10.676 0.222 -13.435 1.00 0.16 N ATOM 461 CA ILE A 48 11.700 1.121 -12.829 1.00 0.15 C ATOM 462 C ILE A 48 12.404 1.977 -13.897 1.00 0.13 C ATOM 463 O ILE A 48 13.301 1.549 -14.597 1.00 0.23 O ATOM 464 CB ILE A 48 12.737 0.255 -12.067 1.00 0.16 C ATOM 465 CG1 ILE A 48 11.953 -0.775 -11.201 1.00 0.28 C ATOM 466 CG2 ILE A 48 13.513 1.175 -11.111 1.00 0.13 C ATOM 467 CD1 ILE A 48 12.814 -1.452 -10.151 1.00 0.35 C ATOM 0 H ILE A 48 10.921 -0.767 -13.385 1.00 0.16 H new ATOM 0 HA ILE A 48 11.203 1.805 -12.141 1.00 0.15 H new ATOM 0 HB ILE A 48 13.411 -0.246 -12.761 1.00 0.16 H new ATOM 0 HG12 ILE A 48 11.122 -0.269 -10.709 1.00 0.28 H new ATOM 0 HG13 ILE A 48 11.522 -1.535 -11.853 1.00 0.28 H new ATOM 0 HG21 ILE A 48 14.250 0.590 -10.562 1.00 0.13 H new ATOM 0 HG22 ILE A 48 14.020 1.951 -11.684 1.00 0.13 H new ATOM 0 HG23 ILE A 48 12.820 1.637 -10.408 1.00 0.13 H new ATOM 0 HD11 ILE A 48 12.208 -2.157 -9.583 1.00 0.35 H new ATOM 0 HD12 ILE A 48 13.630 -1.986 -10.638 1.00 0.35 H new ATOM 0 HD13 ILE A 48 13.224 -0.700 -9.477 1.00 0.35 H new ATOM 479 N ILE A 49 11.955 3.185 -13.951 1.00 0.18 N ATOM 480 CA ILE A 49 12.438 4.240 -14.888 1.00 0.21 C ATOM 481 C ILE A 49 13.521 5.077 -14.217 1.00 0.24 C ATOM 482 O ILE A 49 13.509 5.194 -13.015 1.00 0.30 O ATOM 483 CB ILE A 49 11.186 5.003 -15.241 1.00 0.28 C ATOM 484 CG1 ILE A 49 10.583 4.056 -16.318 1.00 0.30 C ATOM 485 CG2 ILE A 49 11.518 6.472 -15.629 1.00 0.33 C ATOM 486 CD1 ILE A 49 9.508 4.669 -17.089 1.00 0.41 C ATOM 0 H ILE A 49 11.212 3.515 -13.335 1.00 0.18 H new ATOM 0 HA ILE A 49 12.918 3.864 -15.791 1.00 0.21 H new ATOM 0 HB ILE A 49 10.456 5.192 -14.454 1.00 0.28 H new ATOM 0 HG12 ILE A 49 11.374 3.740 -16.998 1.00 0.30 H new ATOM 0 HG13 ILE A 49 10.204 3.157 -15.831 1.00 0.30 H new ATOM 0 HG21 ILE A 49 10.597 6.999 -15.879 1.00 0.33 H new ATOM 0 HG22 ILE A 49 12.004 6.969 -14.790 1.00 0.33 H new ATOM 0 HG23 ILE A 49 12.185 6.479 -16.491 1.00 0.33 H new ATOM 0 HD11 ILE A 49 9.133 3.955 -17.822 1.00 0.41 H new ATOM 0 HD12 ILE A 49 8.699 4.960 -16.418 1.00 0.41 H new ATOM 0 HD13 ILE A 49 9.887 5.552 -17.604 1.00 0.41 H new ATOM 498 N VAL A 50 14.426 5.668 -14.957 1.00 0.21 N ATOM 499 CA VAL A 50 15.519 6.488 -14.354 1.00 0.22 C ATOM 500 C VAL A 50 15.623 7.982 -14.792 1.00 0.19 C ATOM 501 O VAL A 50 15.559 8.307 -15.961 1.00 0.21 O ATOM 502 CB VAL A 50 16.869 5.744 -14.658 1.00 0.20 C ATOM 503 CG1 VAL A 50 18.000 6.365 -13.854 1.00 0.19 C ATOM 504 CG2 VAL A 50 16.810 4.238 -14.274 1.00 0.20 C ATOM 0 H VAL A 50 14.452 5.614 -15.975 1.00 0.21 H new ATOM 0 HA VAL A 50 15.284 6.567 -13.292 1.00 0.22 H new ATOM 0 HB VAL A 50 17.039 5.839 -15.730 1.00 0.20 H new ATOM 0 HG11 VAL A 50 18.931 5.842 -14.072 1.00 0.19 H new ATOM 0 HG12 VAL A 50 18.103 7.416 -14.123 1.00 0.19 H new ATOM 0 HG13 VAL A 50 17.778 6.282 -12.790 1.00 0.19 H new ATOM 0 HG21 VAL A 50 17.766 3.767 -14.503 1.00 0.20 H new ATOM 0 HG22 VAL A 50 16.604 4.142 -13.208 1.00 0.20 H new ATOM 0 HG23 VAL A 50 16.019 3.748 -14.842 1.00 0.20 H new ATOM 514 N LEU A 51 15.768 8.857 -13.828 1.00 0.27 N ATOM 515 CA LEU A 51 15.898 10.348 -14.050 1.00 0.29 C ATOM 516 C LEU A 51 17.088 10.829 -13.160 1.00 0.19 C ATOM 517 O LEU A 51 17.806 9.999 -12.627 1.00 0.10 O ATOM 518 CB LEU A 51 14.565 11.064 -13.612 1.00 0.37 C ATOM 519 CG LEU A 51 14.489 11.193 -12.047 1.00 0.35 C ATOM 520 CD1 LEU A 51 14.283 12.654 -11.633 1.00 0.58 C ATOM 521 CD2 LEU A 51 13.372 10.364 -11.433 1.00 0.67 C ATOM 0 H LEU A 51 15.804 8.592 -12.844 1.00 0.27 H new ATOM 0 HA LEU A 51 16.078 10.583 -15.099 1.00 0.29 H new ATOM 0 HB2 LEU A 51 14.512 12.054 -14.066 1.00 0.37 H new ATOM 0 HB3 LEU A 51 13.707 10.500 -13.977 1.00 0.37 H new ATOM 0 HG LEU A 51 15.441 10.815 -11.674 1.00 0.35 H new ATOM 0 HD11 LEU A 51 14.233 12.721 -10.546 1.00 0.58 H new ATOM 0 HD12 LEU A 51 15.116 13.256 -11.996 1.00 0.58 H new ATOM 0 HD13 LEU A 51 13.353 13.026 -12.062 1.00 0.58 H new ATOM 0 HD21 LEU A 51 13.373 10.497 -10.351 1.00 0.67 H new ATOM 0 HD22 LEU A 51 12.413 10.689 -11.837 1.00 0.67 H new ATOM 0 HD23 LEU A 51 13.528 9.311 -11.670 1.00 0.67 H new ATOM 759 N ASP A 66 2.340 1.218 -11.289 1.00 0.33 N ATOM 760 CA ASP A 66 3.178 0.079 -11.760 1.00 0.46 C ATOM 761 C ASP A 66 4.614 0.570 -12.146 1.00 0.29 C ATOM 762 O ASP A 66 5.525 -0.201 -12.368 1.00 0.18 O ATOM 763 CB ASP A 66 2.398 -0.485 -12.943 1.00 0.69 C ATOM 764 CG ASP A 66 2.177 0.667 -13.909 1.00 0.25 C ATOM 765 OD1 ASP A 66 3.112 1.003 -14.613 1.00 1.31 O ATOM 766 OD2 ASP A 66 1.100 1.229 -13.957 1.00 0.82 O ATOM 0 HA ASP A 66 3.347 -0.683 -11.000 1.00 0.46 H new ATOM 0 HB2 ASP A 66 2.952 -1.292 -13.423 1.00 0.69 H new ATOM 0 HB3 ASP A 66 1.446 -0.903 -12.615 1.00 0.69 H new ATOM 771 N ARG A 67 4.760 1.877 -12.199 1.00 0.34 N ATOM 772 CA ARG A 67 6.050 2.583 -12.560 1.00 0.23 C ATOM 773 C ARG A 67 6.810 3.238 -11.396 1.00 0.14 C ATOM 774 O ARG A 67 6.236 3.892 -10.546 1.00 0.40 O ATOM 775 CB ARG A 67 5.682 3.651 -13.616 1.00 0.42 C ATOM 776 CG ARG A 67 6.911 4.510 -14.028 1.00 0.86 C ATOM 777 CD ARG A 67 6.512 5.467 -15.175 1.00 0.76 C ATOM 778 NE ARG A 67 5.477 6.422 -14.640 1.00 0.92 N ATOM 779 CZ ARG A 67 4.419 6.847 -15.234 1.00 1.20 C ATOM 780 NH1 ARG A 67 4.203 6.745 -16.479 1.00 1.30 N ATOM 781 NH2 ARG A 67 3.550 7.417 -14.517 1.00 1.94 N ATOM 0 H ARG A 67 3.996 2.522 -11.996 1.00 0.34 H new ATOM 0 HA ARG A 67 6.743 1.825 -12.925 1.00 0.23 H new ATOM 0 HB2 ARG A 67 5.270 3.162 -14.498 1.00 0.42 H new ATOM 0 HB3 ARG A 67 4.902 4.301 -13.218 1.00 0.42 H new ATOM 0 HG2 ARG A 67 7.272 5.081 -13.173 1.00 0.86 H new ATOM 0 HG3 ARG A 67 7.729 3.864 -14.347 1.00 0.86 H new ATOM 0 HD2 ARG A 67 7.383 6.012 -15.538 1.00 0.76 H new ATOM 0 HD3 ARG A 67 6.113 4.905 -16.020 1.00 0.76 H new ATOM 0 HE ARG A 67 5.634 6.773 -13.695 1.00 0.92 H new ATOM 0 HH11 ARG A 67 4.895 6.300 -17.082 1.00 1.30 H new ATOM 0 HH12 ARG A 67 3.337 7.108 -16.878 1.00 1.30 H new ATOM 0 HH21 ARG A 67 3.705 7.522 -13.514 1.00 1.94 H new ATOM 0 HH22 ARG A 67 2.693 7.772 -14.940 1.00 1.94 H new ATOM 795 N VAL A 68 8.103 3.061 -11.395 1.00 0.17 N ATOM 796 CA VAL A 68 8.917 3.681 -10.277 1.00 0.13 C ATOM 797 C VAL A 68 9.950 4.537 -10.959 1.00 0.14 C ATOM 798 O VAL A 68 10.660 4.027 -11.796 1.00 0.13 O ATOM 799 CB VAL A 68 9.613 2.583 -9.399 1.00 0.13 C ATOM 800 CG1 VAL A 68 10.497 3.289 -8.300 1.00 0.12 C ATOM 801 CG2 VAL A 68 8.489 1.788 -8.675 1.00 0.14 C ATOM 0 H VAL A 68 8.630 2.533 -12.091 1.00 0.17 H new ATOM 0 HA VAL A 68 8.284 4.258 -9.603 1.00 0.13 H new ATOM 0 HB VAL A 68 10.233 1.932 -10.015 1.00 0.13 H new ATOM 0 HG11 VAL A 68 10.985 2.533 -7.685 1.00 0.12 H new ATOM 0 HG12 VAL A 68 11.254 3.907 -8.783 1.00 0.12 H new ATOM 0 HG13 VAL A 68 9.864 3.916 -7.671 1.00 0.12 H new ATOM 0 HG21 VAL A 68 8.935 1.012 -8.052 1.00 0.14 H new ATOM 0 HG22 VAL A 68 7.909 2.466 -8.050 1.00 0.14 H new ATOM 0 HG23 VAL A 68 7.835 1.327 -9.415 1.00 0.14 H new ATOM 811 N ARG A 69 10.040 5.786 -10.613 1.00 0.17 N ATOM 812 CA ARG A 69 11.049 6.677 -11.271 1.00 0.18 C ATOM 813 C ARG A 69 12.256 6.636 -10.321 1.00 0.18 C ATOM 814 O ARG A 69 12.079 6.713 -9.119 1.00 0.19 O ATOM 815 CB ARG A 69 10.475 8.120 -11.373 1.00 0.23 C ATOM 816 CG ARG A 69 9.556 8.309 -12.581 1.00 0.29 C ATOM 817 CD ARG A 69 9.228 9.815 -12.659 1.00 0.39 C ATOM 818 NE ARG A 69 10.434 10.592 -13.164 1.00 0.59 N ATOM 819 CZ ARG A 69 10.517 11.880 -13.194 1.00 1.02 C ATOM 820 NH1 ARG A 69 9.434 12.544 -13.189 1.00 1.52 N ATOM 821 NH2 ARG A 69 11.667 12.431 -13.235 1.00 1.96 N ATOM 0 H ARG A 69 9.462 6.236 -9.903 1.00 0.17 H new ATOM 0 HA ARG A 69 11.311 6.365 -12.282 1.00 0.18 H new ATOM 0 HB2 ARG A 69 9.922 8.351 -10.462 1.00 0.23 H new ATOM 0 HB3 ARG A 69 11.299 8.830 -11.435 1.00 0.23 H new ATOM 0 HG2 ARG A 69 10.045 7.972 -13.495 1.00 0.29 H new ATOM 0 HG3 ARG A 69 8.646 7.720 -12.470 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.379 9.975 -13.324 1.00 0.39 H new ATOM 0 HD3 ARG A 69 8.936 10.182 -11.675 1.00 0.39 H new ATOM 0 HE ARG A 69 11.234 10.058 -13.503 1.00 0.59 H new ATOM 0 HH11 ARG A 69 8.538 12.058 -13.162 1.00 1.52 H new ATOM 0 HH12 ARG A 69 9.461 13.563 -13.212 1.00 1.52 H new ATOM 0 HH21 ARG A 69 12.509 11.855 -13.244 1.00 1.96 H new ATOM 0 HH22 ARG A 69 11.745 13.448 -13.259 1.00 1.96 H new ATOM 835 N LEU A 70 13.441 6.529 -10.846 1.00 0.18 N ATOM 836 CA LEU A 70 14.653 6.484 -9.954 1.00 0.16 C ATOM 837 C LEU A 70 15.466 7.768 -10.070 1.00 0.19 C ATOM 838 O LEU A 70 15.546 8.302 -11.151 1.00 0.41 O ATOM 839 CB LEU A 70 15.527 5.227 -10.338 1.00 0.14 C ATOM 840 CG LEU A 70 15.648 4.295 -9.078 1.00 0.16 C ATOM 841 CD1 LEU A 70 16.177 2.869 -9.333 1.00 0.24 C ATOM 842 CD2 LEU A 70 16.719 4.918 -8.220 1.00 0.22 C ATOM 0 H LEU A 70 13.633 6.470 -11.846 1.00 0.18 H new ATOM 0 HA LEU A 70 14.332 6.398 -8.916 1.00 0.16 H new ATOM 0 HB2 LEU A 70 15.068 4.686 -11.166 1.00 0.14 H new ATOM 0 HB3 LEU A 70 16.516 5.542 -10.672 1.00 0.14 H new ATOM 0 HG LEU A 70 14.641 4.211 -8.668 1.00 0.16 H new ATOM 0 HD11 LEU A 70 16.216 2.322 -8.391 1.00 0.24 H new ATOM 0 HD12 LEU A 70 15.512 2.353 -10.025 1.00 0.24 H new ATOM 0 HD13 LEU A 70 17.177 2.923 -9.763 1.00 0.24 H new ATOM 0 HD21 LEU A 70 16.858 4.319 -7.320 1.00 0.22 H new ATOM 0 HD22 LEU A 70 17.655 4.958 -8.778 1.00 0.22 H new ATOM 0 HD23 LEU A 70 16.420 5.928 -7.941 1.00 0.22 H new ATOM 854 N ALA A 71 16.042 8.239 -8.993 1.00 0.15 N ATOM 855 CA ALA A 71 16.849 9.491 -9.057 1.00 0.16 C ATOM 856 C ALA A 71 18.333 9.122 -8.763 1.00 0.17 C ATOM 857 O ALA A 71 18.802 9.107 -7.635 1.00 0.23 O ATOM 858 CB ALA A 71 16.249 10.457 -8.018 1.00 0.25 C ATOM 0 H ALA A 71 15.987 7.808 -8.070 1.00 0.15 H new ATOM 0 HA ALA A 71 16.825 9.975 -10.033 1.00 0.16 H new ATOM 0 HB1 ALA A 71 16.808 11.393 -8.026 1.00 0.25 H new ATOM 0 HB2 ALA A 71 15.206 10.655 -8.265 1.00 0.25 H new ATOM 0 HB3 ALA A 71 16.308 10.008 -7.027 1.00 0.25 H new ATOM 864 N VAL A 72 19.033 8.830 -9.823 1.00 0.17 N ATOM 865 CA VAL A 72 20.480 8.445 -9.716 1.00 0.25 C ATOM 866 C VAL A 72 21.399 9.547 -10.202 1.00 0.33 C ATOM 867 O VAL A 72 20.969 10.483 -10.844 1.00 0.32 O ATOM 868 CB VAL A 72 20.795 7.208 -10.575 1.00 0.29 C ATOM 869 CG1 VAL A 72 20.102 6.012 -10.033 1.00 0.25 C ATOM 870 CG2 VAL A 72 20.296 7.431 -11.981 1.00 0.29 C ATOM 0 H VAL A 72 18.665 8.840 -10.774 1.00 0.17 H new ATOM 0 HA VAL A 72 20.650 8.245 -8.658 1.00 0.25 H new ATOM 0 HB VAL A 72 21.874 7.051 -10.566 1.00 0.29 H new ATOM 0 HG11 VAL A 72 20.335 5.145 -10.652 1.00 0.25 H new ATOM 0 HG12 VAL A 72 20.436 5.829 -9.012 1.00 0.25 H new ATOM 0 HG13 VAL A 72 19.025 6.182 -10.037 1.00 0.25 H new ATOM 0 HG21 VAL A 72 20.519 6.555 -12.590 1.00 0.29 H new ATOM 0 HG22 VAL A 72 19.219 7.595 -11.963 1.00 0.29 H new ATOM 0 HG23 VAL A 72 20.789 8.304 -12.408 1.00 0.29 H new ATOM 880 N ASP A 73 22.657 9.412 -9.897 1.00 0.43 N ATOM 881 CA ASP A 73 23.620 10.453 -10.346 1.00 0.51 C ATOM 882 C ASP A 73 24.421 9.970 -11.575 1.00 0.52 C ATOM 883 O ASP A 73 23.974 9.220 -12.425 1.00 0.55 O ATOM 884 CB ASP A 73 24.561 10.783 -9.134 1.00 0.48 C ATOM 885 CG ASP A 73 25.510 9.626 -8.787 1.00 0.47 C ATOM 886 OD1 ASP A 73 25.102 8.483 -8.916 1.00 1.33 O ATOM 887 OD2 ASP A 73 26.612 9.996 -8.410 1.00 0.95 O ATOM 0 H ASP A 73 23.056 8.639 -9.365 1.00 0.43 H new ATOM 0 HA ASP A 73 23.092 11.354 -10.658 1.00 0.51 H new ATOM 0 HB2 ASP A 73 25.148 11.671 -9.367 1.00 0.48 H new ATOM 0 HB3 ASP A 73 23.953 11.022 -8.262 1.00 0.48 H new ATOM 892 N LYS A 74 25.625 10.460 -11.593 1.00 0.49 N ATOM 893 CA LYS A 74 26.618 10.178 -12.639 1.00 0.48 C ATOM 894 C LYS A 74 27.303 8.820 -12.382 1.00 0.48 C ATOM 895 O LYS A 74 28.066 8.357 -13.200 1.00 0.49 O ATOM 896 CB LYS A 74 27.584 11.378 -12.580 1.00 0.42 C ATOM 897 CG LYS A 74 28.257 11.359 -11.166 1.00 2.46 C ATOM 898 CD LYS A 74 28.468 12.784 -10.582 1.00 2.63 C ATOM 899 CE LYS A 74 28.200 12.798 -9.054 1.00 3.82 C ATOM 900 NZ LYS A 74 28.885 11.623 -8.425 1.00 5.21 N ATOM 0 H LYS A 74 25.973 11.088 -10.868 1.00 0.49 H new ATOM 0 HA LYS A 74 26.188 10.080 -13.636 1.00 0.48 H new ATOM 0 HB2 LYS A 74 28.336 11.306 -13.366 1.00 0.42 H new ATOM 0 HB3 LYS A 74 27.047 12.313 -12.738 1.00 0.42 H new ATOM 0 HG2 LYS A 74 27.638 10.778 -10.482 1.00 2.46 H new ATOM 0 HG3 LYS A 74 29.220 10.852 -11.233 1.00 2.46 H new ATOM 0 HD2 LYS A 74 29.487 13.116 -10.780 1.00 2.63 H new ATOM 0 HD3 LYS A 74 27.801 13.488 -11.079 1.00 2.63 H new ATOM 0 HE2 LYS A 74 28.568 13.726 -8.616 1.00 3.82 H new ATOM 0 HE3 LYS A 74 27.128 12.757 -8.860 1.00 3.82 H new ATOM 0 HZ1 LYS A 74 29.232 11.888 -7.481 1.00 5.21 H new ATOM 0 HZ2 LYS A 74 28.212 10.834 -8.338 1.00 5.21 H new ATOM 0 HZ3 LYS A 74 29.687 11.330 -9.019 1.00 5.21 H new ATOM 914 N LEU A 75 27.019 8.231 -11.254 1.00 0.54 N ATOM 915 CA LEU A 75 27.620 6.910 -10.871 1.00 0.60 C ATOM 916 C LEU A 75 26.502 5.923 -10.580 1.00 0.58 C ATOM 917 O LEU A 75 26.549 5.196 -9.611 1.00 0.60 O ATOM 918 CB LEU A 75 28.446 7.168 -9.644 1.00 0.65 C ATOM 919 CG LEU A 75 29.502 8.220 -9.873 1.00 0.81 C ATOM 920 CD1 LEU A 75 29.966 8.627 -8.482 1.00 0.70 C ATOM 921 CD2 LEU A 75 30.617 7.600 -10.701 1.00 1.04 C ATOM 0 H LEU A 75 26.379 8.616 -10.560 1.00 0.54 H new ATOM 0 HA LEU A 75 28.237 6.487 -11.664 1.00 0.60 H new ATOM 0 HB2 LEU A 75 27.794 7.483 -8.830 1.00 0.65 H new ATOM 0 HB3 LEU A 75 28.924 6.240 -9.329 1.00 0.65 H new ATOM 0 HG LEU A 75 29.149 9.095 -10.418 1.00 0.81 H new ATOM 0 HD11 LEU A 75 30.738 9.392 -8.565 1.00 0.70 H new ATOM 0 HD12 LEU A 75 29.121 9.023 -7.918 1.00 0.70 H new ATOM 0 HD13 LEU A 75 30.372 7.758 -7.965 1.00 0.70 H new ATOM 0 HD21 LEU A 75 31.394 8.343 -10.880 1.00 1.04 H new ATOM 0 HD22 LEU A 75 31.042 6.753 -10.163 1.00 1.04 H new ATOM 0 HD23 LEU A 75 30.215 7.259 -11.655 1.00 1.04 H new ATOM 933 N ASP A 76 25.538 5.938 -11.448 1.00 0.57 N ATOM 934 CA ASP A 76 24.338 5.044 -11.326 1.00 0.54 C ATOM 935 C ASP A 76 23.976 4.670 -9.858 1.00 0.43 C ATOM 936 O ASP A 76 23.542 3.564 -9.578 1.00 0.41 O ATOM 937 CB ASP A 76 24.599 3.739 -12.170 1.00 0.60 C ATOM 938 CG ASP A 76 25.892 3.011 -11.773 1.00 1.05 C ATOM 939 OD1 ASP A 76 26.930 3.601 -12.005 1.00 0.23 O ATOM 940 OD2 ASP A 76 25.759 1.906 -11.273 1.00 2.40 O ATOM 0 H ASP A 76 25.523 6.548 -12.265 1.00 0.57 H new ATOM 0 HA ASP A 76 23.480 5.598 -11.707 1.00 0.54 H new ATOM 0 HB2 ASP A 76 23.755 3.060 -12.048 1.00 0.60 H new ATOM 0 HB3 ASP A 76 24.647 4.001 -13.227 1.00 0.60 H new ATOM 945 N ASN A 77 24.161 5.620 -8.959 1.00 0.40 N ATOM 946 CA ASN A 77 23.838 5.384 -7.520 1.00 0.31 C ATOM 947 C ASN A 77 22.603 6.225 -7.310 1.00 0.35 C ATOM 948 O ASN A 77 22.383 7.188 -8.016 1.00 0.47 O ATOM 949 CB ASN A 77 24.884 5.933 -6.540 1.00 0.24 C ATOM 950 CG ASN A 77 26.254 5.369 -6.756 1.00 1.37 C ATOM 951 OD1 ASN A 77 27.113 6.183 -7.248 1.00 2.77 O flip ATOM 952 ND2 ASN A 77 26.589 4.234 -6.496 1.00 0.91 N flip ATOM 0 H ASN A 77 24.524 6.550 -9.170 1.00 0.40 H new ATOM 0 HA ASN A 77 23.759 4.313 -7.335 1.00 0.31 H new ATOM 0 HB2 ASN A 77 24.926 7.018 -6.635 1.00 0.24 H new ATOM 0 HB3 ASN A 77 24.566 5.715 -5.521 1.00 0.24 H new ATOM 0 HD21 ASN A 77 25.912 3.579 -6.104 1.00 0.91 H new ATOM 0 HD22 ASN A 77 27.548 3.933 -6.669 1.00 0.91 H new ATOM 959 N ILE A 78 21.857 5.854 -6.321 1.00 0.22 N ATOM 960 CA ILE A 78 20.603 6.581 -6.013 1.00 0.22 C ATOM 961 C ILE A 78 20.959 7.803 -5.246 1.00 0.25 C ATOM 962 O ILE A 78 21.287 7.781 -4.079 1.00 0.25 O ATOM 963 CB ILE A 78 19.647 5.667 -5.191 1.00 0.20 C ATOM 964 CG1 ILE A 78 19.456 4.294 -5.861 1.00 0.19 C ATOM 965 CG2 ILE A 78 18.218 6.334 -5.076 1.00 0.29 C ATOM 966 CD1 ILE A 78 19.555 4.412 -7.365 1.00 0.25 C ATOM 0 H ILE A 78 22.063 5.069 -5.703 1.00 0.22 H new ATOM 0 HA ILE A 78 20.085 6.861 -6.930 1.00 0.22 H new ATOM 0 HB ILE A 78 20.103 5.538 -4.210 1.00 0.20 H new ATOM 0 HG12 ILE A 78 20.211 3.598 -5.496 1.00 0.19 H new ATOM 0 HG13 ILE A 78 18.484 3.883 -5.587 1.00 0.19 H new ATOM 0 HG21 ILE A 78 17.559 5.685 -4.499 1.00 0.29 H new ATOM 0 HG22 ILE A 78 18.306 7.299 -4.576 1.00 0.29 H new ATOM 0 HG23 ILE A 78 17.803 6.479 -6.073 1.00 0.29 H new ATOM 0 HD11 ILE A 78 19.417 3.430 -7.817 1.00 0.25 H new ATOM 0 HD12 ILE A 78 18.783 5.090 -7.728 1.00 0.25 H new ATOM 0 HD13 ILE A 78 20.537 4.801 -7.636 1.00 0.25 H new ATOM 978 N ALA A 79 20.832 8.853 -5.990 1.00 0.29 N ATOM 979 CA ALA A 79 21.134 10.195 -5.464 1.00 0.35 C ATOM 980 C ALA A 79 19.934 10.572 -4.586 1.00 0.34 C ATOM 981 O ALA A 79 20.096 11.169 -3.541 1.00 0.38 O ATOM 982 CB ALA A 79 21.327 11.054 -6.722 1.00 0.41 C ATOM 0 H ALA A 79 20.524 8.835 -6.962 1.00 0.29 H new ATOM 0 HA ALA A 79 22.022 10.304 -4.841 1.00 0.35 H new ATOM 0 HB1 ALA A 79 21.558 12.079 -6.431 1.00 0.41 H new ATOM 0 HB2 ALA A 79 22.148 10.652 -7.315 1.00 0.41 H new ATOM 0 HB3 ALA A 79 20.412 11.042 -7.314 1.00 0.41 H new ATOM 988 N GLN A 80 18.759 10.226 -5.030 1.00 0.29 N ATOM 989 CA GLN A 80 17.551 10.556 -4.208 1.00 0.29 C ATOM 990 C GLN A 80 16.441 9.507 -4.233 1.00 0.28 C ATOM 991 O GLN A 80 16.383 8.681 -5.123 1.00 0.48 O ATOM 992 CB GLN A 80 17.022 11.932 -4.665 1.00 0.48 C ATOM 993 CG GLN A 80 17.046 12.835 -3.377 1.00 0.71 C ATOM 994 CD GLN A 80 16.526 14.240 -3.631 1.00 0.62 C ATOM 995 OE1 GLN A 80 17.251 15.212 -3.637 1.00 1.59 O ATOM 996 NE2 GLN A 80 15.269 14.410 -3.841 1.00 0.85 N ATOM 0 H GLN A 80 18.579 9.739 -5.908 1.00 0.29 H new ATOM 0 HA GLN A 80 17.869 10.575 -3.166 1.00 0.29 H new ATOM 0 HB2 GLN A 80 17.648 12.353 -5.452 1.00 0.48 H new ATOM 0 HB3 GLN A 80 16.013 11.851 -5.070 1.00 0.48 H new ATOM 0 HG2 GLN A 80 16.444 12.365 -2.599 1.00 0.71 H new ATOM 0 HG3 GLN A 80 18.067 12.893 -2.999 1.00 0.71 H new ATOM 0 HE21 GLN A 80 14.639 13.608 -3.841 1.00 0.85 H new ATOM 0 HE22 GLN A 80 14.902 15.347 -4.008 1.00 0.85 H new ATOM 1005 N VAL A 81 15.603 9.624 -3.228 1.00 0.28 N ATOM 1006 CA VAL A 81 14.429 8.709 -3.016 1.00 0.27 C ATOM 1007 C VAL A 81 13.658 8.487 -4.324 1.00 0.29 C ATOM 1008 O VAL A 81 13.021 9.410 -4.797 1.00 0.38 O ATOM 1009 CB VAL A 81 13.470 9.324 -1.943 1.00 0.25 C ATOM 1010 CG1 VAL A 81 12.352 8.284 -1.550 1.00 0.27 C ATOM 1011 CG2 VAL A 81 14.278 9.692 -0.672 1.00 0.25 C ATOM 0 H VAL A 81 15.689 10.348 -2.515 1.00 0.28 H new ATOM 0 HA VAL A 81 14.805 7.746 -2.670 1.00 0.27 H new ATOM 0 HB VAL A 81 13.005 10.216 -2.363 1.00 0.25 H new ATOM 0 HG11 VAL A 81 11.692 8.724 -0.803 1.00 0.27 H new ATOM 0 HG12 VAL A 81 11.773 8.020 -2.435 1.00 0.27 H new ATOM 0 HG13 VAL A 81 12.817 7.388 -1.140 1.00 0.27 H new ATOM 0 HG21 VAL A 81 13.608 10.120 0.074 1.00 0.25 H new ATOM 0 HG22 VAL A 81 14.747 8.795 -0.267 1.00 0.25 H new ATOM 0 HG23 VAL A 81 15.048 10.420 -0.928 1.00 0.25 H new ATOM 1021 N PRO A 82 13.710 7.310 -4.884 1.00 0.21 N ATOM 1022 CA PRO A 82 12.903 7.020 -6.081 1.00 0.18 C ATOM 1023 C PRO A 82 11.514 6.634 -5.473 1.00 0.13 C ATOM 1024 O PRO A 82 11.433 6.171 -4.347 1.00 0.16 O ATOM 1025 CB PRO A 82 13.799 5.940 -6.708 1.00 0.22 C ATOM 1026 CG PRO A 82 14.142 5.068 -5.534 1.00 0.23 C ATOM 1027 CD PRO A 82 14.520 6.132 -4.469 1.00 0.22 C ATOM 0 HA PRO A 82 12.666 7.752 -6.853 1.00 0.18 H new ATOM 0 HB2 PRO A 82 13.277 5.383 -7.486 1.00 0.22 H new ATOM 0 HB3 PRO A 82 14.690 6.370 -7.166 1.00 0.22 H new ATOM 0 HG2 PRO A 82 13.300 4.452 -5.219 1.00 0.23 H new ATOM 0 HG3 PRO A 82 14.969 4.391 -5.751 1.00 0.23 H new ATOM 0 HD2 PRO A 82 14.269 5.803 -3.461 1.00 0.22 H new ATOM 0 HD3 PRO A 82 15.588 6.351 -4.477 1.00 0.22 H new ATOM 1035 N ARG A 83 10.457 6.852 -6.196 1.00 0.24 N ATOM 1036 CA ARG A 83 9.079 6.523 -5.716 1.00 0.34 C ATOM 1037 C ARG A 83 8.169 6.015 -6.848 1.00 0.34 C ATOM 1038 O ARG A 83 8.531 6.127 -8.003 1.00 0.35 O ATOM 1039 CB ARG A 83 8.602 7.835 -5.027 1.00 0.61 C ATOM 1040 CG ARG A 83 7.420 8.305 -5.774 1.00 1.95 C ATOM 1041 CD ARG A 83 6.728 9.495 -5.174 1.00 1.88 C ATOM 1042 NE ARG A 83 5.931 8.949 -4.023 1.00 2.87 N ATOM 1043 CZ ARG A 83 4.654 8.968 -3.960 1.00 4.09 C ATOM 1044 NH1 ARG A 83 3.961 8.477 -4.916 1.00 5.05 N ATOM 1045 NH2 ARG A 83 4.155 9.491 -2.907 1.00 4.60 N ATOM 0 H ARG A 83 10.486 7.258 -7.131 1.00 0.24 H new ATOM 0 HA ARG A 83 9.052 5.688 -5.016 1.00 0.34 H new ATOM 0 HB2 ARG A 83 8.351 7.653 -3.982 1.00 0.61 H new ATOM 0 HB3 ARG A 83 9.391 8.587 -5.040 1.00 0.61 H new ATOM 0 HG2 ARG A 83 7.725 8.554 -6.790 1.00 1.95 H new ATOM 0 HG3 ARG A 83 6.705 7.486 -5.848 1.00 1.95 H new ATOM 0 HD2 ARG A 83 7.448 10.240 -4.836 1.00 1.88 H new ATOM 0 HD3 ARG A 83 6.082 9.984 -5.903 1.00 1.88 H new ATOM 0 HE ARG A 83 6.441 8.537 -3.242 1.00 2.87 H new ATOM 0 HH11 ARG A 83 4.427 8.071 -5.727 1.00 5.05 H new ATOM 0 HH12 ARG A 83 2.942 8.491 -4.867 1.00 5.05 H new ATOM 0 HH21 ARG A 83 4.769 9.861 -2.181 1.00 4.60 H new ATOM 0 HH22 ARG A 83 3.143 9.539 -2.792 1.00 4.60 H new ATOM 1059 N VAL A 84 7.031 5.472 -6.481 1.00 0.39 N ATOM 1060 CA VAL A 84 6.111 4.989 -7.550 1.00 0.44 C ATOM 1061 C VAL A 84 5.381 6.242 -8.068 1.00 1.08 C ATOM 1062 O VAL A 84 4.800 7.028 -7.326 1.00 2.83 O ATOM 1063 CB VAL A 84 5.003 4.134 -7.082 1.00 0.22 C ATOM 1064 CG1 VAL A 84 4.282 3.541 -8.291 1.00 0.14 C ATOM 1065 CG2 VAL A 84 5.451 3.065 -6.129 1.00 0.35 C ATOM 0 H VAL A 84 6.711 5.347 -5.521 1.00 0.39 H new ATOM 0 HA VAL A 84 6.724 4.426 -8.254 1.00 0.44 H new ATOM 0 HB VAL A 84 4.312 4.758 -6.515 1.00 0.22 H new ATOM 0 HG11 VAL A 84 3.462 2.908 -7.951 1.00 0.14 H new ATOM 0 HG12 VAL A 84 3.886 4.346 -8.910 1.00 0.14 H new ATOM 0 HG13 VAL A 84 4.982 2.945 -8.876 1.00 0.14 H new ATOM 0 HG21 VAL A 84 4.592 2.469 -5.820 1.00 0.35 H new ATOM 0 HG22 VAL A 84 6.181 2.422 -6.621 1.00 0.35 H new ATOM 0 HG23 VAL A 84 5.906 3.526 -5.253 1.00 0.35 H new