USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 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 Set 1.1: A 37 LYS NZ :NH3+ -124:sc= 1.83 (180deg=-0.0258) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.731! C(o=1.1!,f=-6.1!) USER MOD Single : A 22 THR OG1 : rot -29:sc= 0.678 USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= 1.12 (180deg=-0.035) USER MOD Single : A 31 SER OG : rot 113:sc= 0.975 USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= 1.25 (180deg=-0.0482) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= -4.67! (180deg=-13.1!) USER MOD Single : A 47 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ -134:sc= 0.774 (180deg=-3.23!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.58! C(o=-2.4!,f=-1.6!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N THR A 22 6.179 2.887 -2.018 1.00 0.86 N ATOM 43 CA THR A 22 6.031 3.812 -3.186 1.00 0.82 C ATOM 44 C THR A 22 7.167 4.812 -3.261 1.00 0.72 C ATOM 45 O THR A 22 7.306 5.542 -4.230 1.00 0.74 O ATOM 46 CB THR A 22 4.720 4.553 -3.071 1.00 0.95 C ATOM 47 OG1 THR A 22 4.754 5.026 -1.736 1.00 1.02 O ATOM 48 CG2 THR A 22 3.576 3.549 -3.036 1.00 1.04 C ATOM 0 HA THR A 22 6.053 3.211 -4.095 1.00 0.82 H new ATOM 0 HB THR A 22 4.594 5.285 -3.869 1.00 0.95 H new ATOM 0 HG1 THR A 22 5.277 4.409 -1.183 1.00 1.02 H new ATOM 0 HG21 THR A 22 2.628 4.080 -2.953 1.00 1.04 H new ATOM 0 HG22 THR A 22 3.582 2.958 -3.952 1.00 1.04 H new ATOM 0 HG23 THR A 22 3.698 2.888 -2.178 1.00 1.04 H new ATOM 56 N GLU A 23 7.911 4.757 -2.185 1.00 0.55 N ATOM 57 CA GLU A 23 9.103 5.632 -2.008 1.00 0.39 C ATOM 58 C GLU A 23 10.240 4.730 -1.483 1.00 0.24 C ATOM 59 O GLU A 23 10.013 3.817 -0.703 1.00 0.21 O ATOM 60 CB GLU A 23 8.852 6.736 -0.948 1.00 0.37 C ATOM 61 CG GLU A 23 7.682 7.744 -1.268 1.00 0.66 C ATOM 62 CD GLU A 23 8.109 9.109 -1.818 1.00 1.63 C ATOM 63 OE1 GLU A 23 9.272 9.462 -1.681 1.00 2.54 O ATOM 64 OE2 GLU A 23 7.218 9.746 -2.356 1.00 2.12 O ATOM 0 H GLU A 23 7.734 4.125 -1.404 1.00 0.55 H new ATOM 0 HA GLU A 23 9.339 6.114 -2.956 1.00 0.39 H new ATOM 0 HB2 GLU A 23 8.640 6.255 0.007 1.00 0.37 H new ATOM 0 HB3 GLU A 23 9.772 7.306 -0.820 1.00 0.37 H new ATOM 0 HG2 GLU A 23 7.012 7.276 -1.989 1.00 0.66 H new ATOM 0 HG3 GLU A 23 7.107 7.905 -0.356 1.00 0.66 H new ATOM 71 N TRP A 24 11.441 4.994 -1.904 1.00 0.19 N ATOM 72 CA TRP A 24 12.571 4.137 -1.415 1.00 0.12 C ATOM 73 C TRP A 24 13.743 4.792 -0.673 1.00 0.12 C ATOM 74 O TRP A 24 14.884 4.581 -1.039 1.00 0.41 O ATOM 75 CB TRP A 24 13.035 3.364 -2.659 1.00 0.22 C ATOM 76 CG TRP A 24 12.046 2.263 -2.948 1.00 0.30 C ATOM 77 CD1 TRP A 24 12.148 1.025 -2.417 1.00 0.38 C ATOM 78 CD2 TRP A 24 10.931 2.361 -3.691 1.00 0.33 C ATOM 79 NE1 TRP A 24 11.054 0.441 -2.870 1.00 0.47 N ATOM 80 CE2 TRP A 24 10.267 1.163 -3.646 1.00 0.45 C ATOM 81 CE3 TRP A 24 10.419 3.406 -4.434 1.00 0.30 C ATOM 82 CZ2 TRP A 24 9.096 0.983 -4.326 1.00 0.52 C ATOM 83 CZ3 TRP A 24 9.234 3.232 -5.128 1.00 0.40 C ATOM 84 CH2 TRP A 24 8.584 2.026 -5.064 1.00 0.49 C ATOM 0 H TRP A 24 11.694 5.743 -2.548 1.00 0.19 H new ATOM 0 HA TRP A 24 12.182 3.521 -0.604 1.00 0.12 H new ATOM 0 HB2 TRP A 24 13.111 4.036 -3.514 1.00 0.22 H new ATOM 0 HB3 TRP A 24 14.028 2.945 -2.494 1.00 0.22 H new ATOM 0 HD1 TRP A 24 12.924 0.618 -1.785 1.00 0.38 H new ATOM 0 HE1 TRP A 24 10.827 -0.524 -2.631 1.00 0.47 H new ATOM 0 HE3 TRP A 24 10.939 4.352 -4.473 1.00 0.30 H new ATOM 0 HZ2 TRP A 24 8.579 0.036 -4.285 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 8.824 4.040 -5.716 1.00 0.40 H new ATOM 0 HH2 TRP A 24 7.656 1.893 -5.601 1.00 0.49 H new ATOM 95 N PRO A 25 13.478 5.559 0.363 1.00 0.06 N ATOM 96 CA PRO A 25 14.597 6.242 1.094 1.00 0.16 C ATOM 97 C PRO A 25 15.750 5.240 1.361 1.00 0.11 C ATOM 98 O PRO A 25 16.916 5.532 1.224 1.00 0.12 O ATOM 99 CB PRO A 25 13.909 6.840 2.355 1.00 0.31 C ATOM 100 CG PRO A 25 12.435 6.302 2.363 1.00 0.58 C ATOM 101 CD PRO A 25 12.125 5.807 0.937 1.00 0.25 C ATOM 0 HA PRO A 25 15.092 7.041 0.542 1.00 0.16 H new ATOM 0 HB2 PRO A 25 14.435 6.541 3.261 1.00 0.31 H new ATOM 0 HB3 PRO A 25 13.923 7.929 2.323 1.00 0.31 H new ATOM 0 HG2 PRO A 25 12.325 5.492 3.084 1.00 0.58 H new ATOM 0 HG3 PRO A 25 11.740 7.088 2.657 1.00 0.58 H new ATOM 0 HD2 PRO A 25 11.519 4.901 0.948 1.00 0.25 H new ATOM 0 HD3 PRO A 25 11.574 6.552 0.363 1.00 0.25 H new ATOM 109 N GLU A 26 15.310 4.074 1.716 1.00 0.10 N ATOM 110 CA GLU A 26 16.127 2.857 2.045 1.00 0.11 C ATOM 111 C GLU A 26 17.420 2.659 1.239 1.00 0.30 C ATOM 112 O GLU A 26 18.456 2.222 1.707 1.00 0.45 O ATOM 113 CB GLU A 26 15.288 1.622 1.796 1.00 0.26 C ATOM 114 CG GLU A 26 14.086 1.504 2.712 1.00 1.25 C ATOM 115 CD GLU A 26 13.041 2.555 2.418 1.00 2.81 C ATOM 116 OE1 GLU A 26 12.620 2.567 1.279 1.00 3.33 O ATOM 117 OE2 GLU A 26 12.731 3.287 3.327 1.00 3.74 O ATOM 0 H GLU A 26 14.310 3.892 1.802 1.00 0.10 H new ATOM 0 HA GLU A 26 16.420 3.011 3.083 1.00 0.11 H new ATOM 0 HB2 GLU A 26 14.945 1.630 0.761 1.00 0.26 H new ATOM 0 HB3 GLU A 26 15.914 0.738 1.918 1.00 0.26 H new ATOM 0 HG2 GLU A 26 13.644 0.514 2.603 1.00 1.25 H new ATOM 0 HG3 GLU A 26 14.410 1.596 3.749 1.00 1.25 H new ATOM 124 N LEU A 27 17.280 3.007 -0.006 1.00 0.31 N ATOM 125 CA LEU A 27 18.402 2.863 -0.959 1.00 0.47 C ATOM 126 C LEU A 27 19.059 4.123 -1.500 1.00 0.22 C ATOM 127 O LEU A 27 19.758 4.054 -2.494 1.00 0.13 O ATOM 128 CB LEU A 27 17.825 1.911 -2.082 1.00 0.86 C ATOM 129 CG LEU A 27 16.337 2.237 -2.428 1.00 0.53 C ATOM 130 CD1 LEU A 27 16.343 3.578 -3.179 1.00 1.66 C ATOM 131 CD2 LEU A 27 15.751 1.201 -3.379 1.00 1.38 C ATOM 0 H LEU A 27 16.423 3.390 -0.406 1.00 0.31 H new ATOM 0 HA LEU A 27 19.266 2.458 -0.432 1.00 0.47 H new ATOM 0 HB2 LEU A 27 18.434 2.003 -2.982 1.00 0.86 H new ATOM 0 HB3 LEU A 27 17.900 0.875 -1.751 1.00 0.86 H new ATOM 0 HG LEU A 27 15.748 2.254 -1.511 1.00 0.53 H new ATOM 0 HD11 LEU A 27 15.322 3.851 -3.444 1.00 1.66 H new ATOM 0 HD12 LEU A 27 16.771 4.351 -2.540 1.00 1.66 H new ATOM 0 HD13 LEU A 27 16.941 3.485 -4.086 1.00 1.66 H new ATOM 0 HD21 LEU A 27 14.715 1.456 -3.601 1.00 1.38 H new ATOM 0 HD22 LEU A 27 16.328 1.189 -4.304 1.00 1.38 H new ATOM 0 HD23 LEU A 27 15.791 0.216 -2.914 1.00 1.38 H new ATOM 143 N VAL A 28 18.859 5.260 -0.881 1.00 0.29 N ATOM 144 CA VAL A 28 19.536 6.483 -1.417 1.00 0.11 C ATOM 145 C VAL A 28 20.973 6.227 -0.892 1.00 0.10 C ATOM 146 O VAL A 28 21.164 5.876 0.260 1.00 0.26 O ATOM 147 CB VAL A 28 18.877 7.719 -0.794 1.00 0.17 C ATOM 148 CG1 VAL A 28 19.482 8.972 -1.470 1.00 0.42 C ATOM 149 CG2 VAL A 28 17.377 7.704 -1.105 1.00 0.28 C ATOM 0 H VAL A 28 18.276 5.395 -0.055 1.00 0.29 H new ATOM 0 HA VAL A 28 19.493 6.654 -2.493 1.00 0.11 H new ATOM 0 HB VAL A 28 19.040 7.725 0.284 1.00 0.17 H new ATOM 0 HG11 VAL A 28 19.030 9.868 -1.045 1.00 0.42 H new ATOM 0 HG12 VAL A 28 20.559 8.993 -1.300 1.00 0.42 H new ATOM 0 HG13 VAL A 28 19.284 8.939 -2.541 1.00 0.42 H new ATOM 0 HG21 VAL A 28 16.905 8.582 -0.663 1.00 0.28 H new ATOM 0 HG22 VAL A 28 17.229 7.717 -2.185 1.00 0.28 H new ATOM 0 HG23 VAL A 28 16.928 6.802 -0.688 1.00 0.28 H new ATOM 159 N GLY A 29 21.946 6.400 -1.733 1.00 0.15 N ATOM 160 CA GLY A 29 23.376 6.152 -1.331 1.00 0.15 C ATOM 161 C GLY A 29 23.776 4.711 -1.747 1.00 0.18 C ATOM 162 O GLY A 29 24.842 4.225 -1.428 1.00 0.20 O ATOM 0 H GLY A 29 21.822 6.707 -2.698 1.00 0.15 H new ATOM 0 HA2 GLY A 29 24.033 6.878 -1.810 1.00 0.15 H new ATOM 0 HA3 GLY A 29 23.492 6.279 -0.255 1.00 0.15 H new ATOM 166 N LYS A 30 22.893 4.056 -2.445 1.00 0.16 N ATOM 167 CA LYS A 30 23.149 2.660 -2.918 1.00 0.15 C ATOM 168 C LYS A 30 23.298 2.661 -4.442 1.00 0.14 C ATOM 169 O LYS A 30 23.107 3.692 -5.062 1.00 0.16 O ATOM 170 CB LYS A 30 21.956 1.830 -2.426 1.00 0.17 C ATOM 171 CG LYS A 30 22.056 1.769 -0.877 1.00 0.38 C ATOM 172 CD LYS A 30 22.958 0.580 -0.516 1.00 0.75 C ATOM 173 CE LYS A 30 22.075 -0.642 -0.288 1.00 1.19 C ATOM 174 NZ LYS A 30 22.943 -1.839 -0.382 1.00 2.39 N ATOM 0 H LYS A 30 21.985 4.434 -2.715 1.00 0.16 H new ATOM 0 HA LYS A 30 24.073 2.233 -2.529 1.00 0.15 H new ATOM 0 HB2 LYS A 30 21.015 2.286 -2.734 1.00 0.17 H new ATOM 0 HB3 LYS A 30 21.980 0.828 -2.854 1.00 0.17 H new ATOM 0 HG2 LYS A 30 22.470 2.697 -0.483 1.00 0.38 H new ATOM 0 HG3 LYS A 30 21.067 1.648 -0.434 1.00 0.38 H new ATOM 0 HD2 LYS A 30 23.671 0.388 -1.317 1.00 0.75 H new ATOM 0 HD3 LYS A 30 23.537 0.802 0.380 1.00 0.75 H new ATOM 0 HE2 LYS A 30 21.595 -0.592 0.689 1.00 1.19 H new ATOM 0 HE3 LYS A 30 21.280 -0.685 -1.032 1.00 1.19 H new ATOM 0 HZ1 LYS A 30 22.497 -2.543 -1.004 1.00 2.39 H new ATOM 0 HZ2 LYS A 30 23.868 -1.568 -0.773 1.00 2.39 H new ATOM 0 HZ3 LYS A 30 23.075 -2.248 0.565 1.00 2.39 H new ATOM 188 N SER A 31 23.606 1.519 -5.010 1.00 0.11 N ATOM 189 CA SER A 31 23.773 1.471 -6.492 1.00 0.11 C ATOM 190 C SER A 31 22.435 1.176 -7.140 1.00 0.24 C ATOM 191 O SER A 31 21.648 0.362 -6.689 1.00 0.51 O ATOM 192 CB SER A 31 24.809 0.385 -6.837 1.00 0.40 C ATOM 193 OG SER A 31 24.710 -0.581 -5.788 1.00 1.39 O ATOM 0 H SER A 31 23.746 0.635 -4.520 1.00 0.11 H new ATOM 0 HA SER A 31 24.129 2.430 -6.869 1.00 0.11 H new ATOM 0 HB2 SER A 31 24.598 -0.065 -7.807 1.00 0.40 H new ATOM 0 HB3 SER A 31 25.814 0.804 -6.892 1.00 0.40 H new ATOM 0 HG SER A 31 24.356 -1.421 -6.149 1.00 1.39 H new ATOM 199 N VAL A 32 22.211 1.887 -8.200 1.00 0.16 N ATOM 200 CA VAL A 32 20.946 1.727 -8.945 1.00 0.20 C ATOM 201 C VAL A 32 20.450 0.298 -9.160 1.00 0.21 C ATOM 202 O VAL A 32 19.346 -0.004 -8.774 1.00 0.22 O ATOM 203 CB VAL A 32 21.167 2.499 -10.251 1.00 0.31 C ATOM 204 CG1 VAL A 32 22.102 1.737 -11.233 1.00 0.44 C ATOM 205 CG2 VAL A 32 19.783 2.804 -10.793 1.00 0.30 C ATOM 0 H VAL A 32 22.856 2.577 -8.584 1.00 0.16 H new ATOM 0 HA VAL A 32 20.122 2.121 -8.350 1.00 0.20 H new ATOM 0 HB VAL A 32 21.704 3.434 -10.090 1.00 0.31 H new ATOM 0 HG11 VAL A 32 22.229 2.323 -12.143 1.00 0.44 H new ATOM 0 HG12 VAL A 32 23.073 1.581 -10.764 1.00 0.44 H new ATOM 0 HG13 VAL A 32 21.660 0.772 -11.481 1.00 0.44 H new ATOM 0 HG21 VAL A 32 19.872 3.356 -11.728 1.00 0.30 H new ATOM 0 HG22 VAL A 32 19.249 1.871 -10.972 1.00 0.30 H new ATOM 0 HG23 VAL A 32 19.233 3.404 -10.068 1.00 0.30 H new ATOM 215 N GLU A 33 21.224 -0.552 -9.759 1.00 0.20 N ATOM 216 CA GLU A 33 20.776 -1.946 -9.978 1.00 0.22 C ATOM 217 C GLU A 33 20.228 -2.501 -8.633 1.00 0.20 C ATOM 218 O GLU A 33 19.164 -3.093 -8.635 1.00 0.17 O ATOM 219 CB GLU A 33 22.042 -2.609 -10.624 1.00 0.17 C ATOM 220 CG GLU A 33 23.426 -2.212 -9.990 1.00 2.27 C ATOM 221 CD GLU A 33 23.664 -2.975 -8.696 1.00 4.66 C ATOM 222 OE1 GLU A 33 23.754 -4.183 -8.813 1.00 5.45 O ATOM 223 OE2 GLU A 33 23.744 -2.310 -7.681 1.00 5.90 O ATOM 0 H GLU A 33 22.158 -0.338 -10.110 1.00 0.20 H new ATOM 0 HA GLU A 33 19.934 -2.126 -10.646 1.00 0.22 H new ATOM 0 HB2 GLU A 33 21.933 -3.692 -10.561 1.00 0.17 H new ATOM 0 HB3 GLU A 33 22.062 -2.352 -11.683 1.00 0.17 H new ATOM 0 HG2 GLU A 33 24.229 -2.424 -10.696 1.00 2.27 H new ATOM 0 HG3 GLU A 33 23.448 -1.140 -9.795 1.00 2.27 H new ATOM 230 N GLU A 34 20.899 -2.317 -7.521 1.00 0.24 N ATOM 231 CA GLU A 34 20.324 -2.841 -6.233 1.00 0.25 C ATOM 232 C GLU A 34 19.018 -2.041 -6.025 1.00 0.17 C ATOM 233 O GLU A 34 17.958 -2.603 -5.853 1.00 0.20 O ATOM 234 CB GLU A 34 21.238 -2.555 -4.993 1.00 0.40 C ATOM 235 CG GLU A 34 20.337 -2.519 -3.643 1.00 1.56 C ATOM 236 CD GLU A 34 20.467 -3.717 -2.707 1.00 1.97 C ATOM 237 OE1 GLU A 34 21.509 -3.603 -2.079 1.00 2.00 O ATOM 238 OE2 GLU A 34 19.594 -4.593 -2.659 1.00 2.70 O ATOM 0 H GLU A 34 21.797 -1.840 -7.444 1.00 0.24 H new ATOM 0 HA GLU A 34 20.200 -3.921 -6.305 1.00 0.25 H new ATOM 0 HB2 GLU A 34 22.005 -3.325 -4.909 1.00 0.40 H new ATOM 0 HB3 GLU A 34 21.755 -1.604 -5.122 1.00 0.40 H new ATOM 0 HG2 GLU A 34 20.595 -1.620 -3.084 1.00 1.56 H new ATOM 0 HG3 GLU A 34 19.291 -2.425 -3.933 1.00 1.56 H new ATOM 245 N ALA A 35 19.087 -0.742 -6.036 1.00 0.17 N ATOM 246 CA ALA A 35 17.833 0.039 -5.828 1.00 0.16 C ATOM 247 C ALA A 35 16.651 -0.562 -6.576 1.00 0.23 C ATOM 248 O ALA A 35 15.562 -0.742 -6.076 1.00 0.27 O ATOM 249 CB ALA A 35 18.091 1.476 -6.292 1.00 0.15 C ATOM 0 H ALA A 35 19.936 -0.194 -6.176 1.00 0.17 H new ATOM 0 HA ALA A 35 17.570 0.017 -4.771 1.00 0.16 H new ATOM 0 HB1 ALA A 35 17.189 2.071 -6.151 1.00 0.15 H new ATOM 0 HB2 ALA A 35 18.905 1.906 -5.708 1.00 0.15 H new ATOM 0 HB3 ALA A 35 18.363 1.474 -7.347 1.00 0.15 H new ATOM 255 N LYS A 36 16.962 -0.885 -7.785 1.00 0.23 N ATOM 256 CA LYS A 36 15.976 -1.479 -8.709 1.00 0.21 C ATOM 257 C LYS A 36 15.554 -2.789 -8.115 1.00 0.20 C ATOM 258 O LYS A 36 14.378 -2.996 -7.931 1.00 0.22 O ATOM 259 CB LYS A 36 16.647 -1.644 -10.069 1.00 0.22 C ATOM 260 CG LYS A 36 16.904 -0.234 -10.655 1.00 0.40 C ATOM 261 CD LYS A 36 16.816 -0.417 -12.148 1.00 0.50 C ATOM 262 CE LYS A 36 16.826 0.905 -12.869 1.00 0.96 C ATOM 263 NZ LYS A 36 16.395 0.569 -14.262 1.00 1.94 N ATOM 0 H LYS A 36 17.891 -0.758 -8.186 1.00 0.23 H new ATOM 0 HA LYS A 36 15.091 -0.858 -8.849 1.00 0.21 H new ATOM 0 HB2 LYS A 36 17.585 -2.190 -9.967 1.00 0.22 H new ATOM 0 HB3 LYS A 36 16.012 -2.224 -10.739 1.00 0.22 H new ATOM 0 HG2 LYS A 36 16.164 0.483 -10.300 1.00 0.40 H new ATOM 0 HG3 LYS A 36 17.882 0.145 -10.360 1.00 0.40 H new ATOM 0 HD2 LYS A 36 17.653 -1.026 -12.491 1.00 0.50 H new ATOM 0 HD3 LYS A 36 15.904 -0.960 -12.396 1.00 0.50 H new ATOM 0 HE2 LYS A 36 16.145 1.618 -12.403 1.00 0.96 H new ATOM 0 HE3 LYS A 36 17.818 1.357 -12.857 1.00 0.96 H new ATOM 0 HZ1 LYS A 36 17.033 1.028 -14.943 1.00 1.94 H new ATOM 0 HZ2 LYS A 36 16.429 -0.462 -14.397 1.00 1.94 H new ATOM 0 HZ3 LYS A 36 15.423 0.907 -14.416 1.00 1.94 H new ATOM 277 N LYS A 37 16.490 -3.649 -7.813 1.00 0.21 N ATOM 278 CA LYS A 37 16.124 -4.963 -7.211 1.00 0.26 C ATOM 279 C LYS A 37 15.179 -4.716 -6.039 1.00 0.28 C ATOM 280 O LYS A 37 14.156 -5.350 -5.915 1.00 0.38 O ATOM 281 CB LYS A 37 17.415 -5.700 -6.727 1.00 0.35 C ATOM 282 CG LYS A 37 17.868 -5.503 -5.265 1.00 1.55 C ATOM 283 CD LYS A 37 19.025 -6.526 -4.978 1.00 1.53 C ATOM 284 CE LYS A 37 18.533 -7.719 -4.137 1.00 2.00 C ATOM 285 NZ LYS A 37 18.287 -7.262 -2.726 1.00 3.01 N ATOM 0 H LYS A 37 17.489 -3.499 -7.957 1.00 0.21 H new ATOM 0 HA LYS A 37 15.628 -5.591 -7.951 1.00 0.26 H new ATOM 0 HB2 LYS A 37 17.268 -6.768 -6.888 1.00 0.35 H new ATOM 0 HB3 LYS A 37 18.236 -5.391 -7.374 1.00 0.35 H new ATOM 0 HG2 LYS A 37 18.214 -4.481 -5.107 1.00 1.55 H new ATOM 0 HG3 LYS A 37 17.035 -5.667 -4.582 1.00 1.55 H new ATOM 0 HD2 LYS A 37 19.433 -6.889 -5.922 1.00 1.53 H new ATOM 0 HD3 LYS A 37 19.836 -6.021 -4.454 1.00 1.53 H new ATOM 0 HE2 LYS A 37 17.617 -8.127 -4.564 1.00 2.00 H new ATOM 0 HE3 LYS A 37 19.274 -8.518 -4.149 1.00 2.00 H new ATOM 0 HZ1 LYS A 37 18.845 -7.845 -2.070 1.00 3.01 H new ATOM 0 HZ2 LYS A 37 18.570 -6.266 -2.629 1.00 3.01 H new ATOM 0 HZ3 LYS A 37 17.276 -7.358 -2.501 1.00 3.01 H new ATOM 299 N VAL A 38 15.546 -3.775 -5.213 1.00 0.23 N ATOM 300 CA VAL A 38 14.701 -3.437 -4.008 1.00 0.25 C ATOM 301 C VAL A 38 13.300 -3.006 -4.452 1.00 0.26 C ATOM 302 O VAL A 38 12.273 -3.482 -4.016 1.00 0.34 O ATOM 303 CB VAL A 38 15.339 -2.287 -3.240 1.00 0.32 C ATOM 304 CG1 VAL A 38 14.337 -1.788 -2.199 1.00 0.36 C ATOM 305 CG2 VAL A 38 16.609 -2.743 -2.533 1.00 0.35 C ATOM 0 H VAL A 38 16.395 -3.218 -5.312 1.00 0.23 H new ATOM 0 HA VAL A 38 14.632 -4.321 -3.374 1.00 0.25 H new ATOM 0 HB VAL A 38 15.602 -1.493 -3.939 1.00 0.32 H new ATOM 0 HG11 VAL A 38 14.776 -0.963 -1.638 1.00 0.36 H new ATOM 0 HG12 VAL A 38 13.432 -1.445 -2.700 1.00 0.36 H new ATOM 0 HG13 VAL A 38 14.088 -2.600 -1.516 1.00 0.36 H new ATOM 0 HG21 VAL A 38 17.046 -1.904 -1.992 1.00 0.35 H new ATOM 0 HG22 VAL A 38 16.368 -3.541 -1.831 1.00 0.35 H new ATOM 0 HG23 VAL A 38 17.323 -3.111 -3.270 1.00 0.35 H new ATOM 315 N ILE A 39 13.272 -2.059 -5.329 1.00 0.21 N ATOM 316 CA ILE A 39 11.983 -1.543 -5.855 1.00 0.22 C ATOM 317 C ILE A 39 11.233 -2.749 -6.384 1.00 0.21 C ATOM 318 O ILE A 39 10.040 -2.817 -6.202 1.00 0.21 O ATOM 319 CB ILE A 39 12.439 -0.477 -6.829 1.00 0.24 C ATOM 320 CG1 ILE A 39 12.926 0.623 -5.838 1.00 0.22 C ATOM 321 CG2 ILE A 39 11.257 0.033 -7.658 1.00 0.32 C ATOM 322 CD1 ILE A 39 13.822 1.655 -6.436 1.00 0.29 C ATOM 0 H ILE A 39 14.102 -1.608 -5.715 1.00 0.21 H new ATOM 0 HA ILE A 39 11.267 -1.077 -5.178 1.00 0.22 H new ATOM 0 HB ILE A 39 13.185 -0.805 -7.553 1.00 0.24 H new ATOM 0 HG12 ILE A 39 12.054 1.121 -5.414 1.00 0.22 H new ATOM 0 HG13 ILE A 39 13.451 0.142 -5.013 1.00 0.22 H new ATOM 0 HG21 ILE A 39 11.603 0.798 -8.353 1.00 0.32 H new ATOM 0 HG22 ILE A 39 10.821 -0.795 -8.218 1.00 0.32 H new ATOM 0 HG23 ILE A 39 10.504 0.459 -6.995 1.00 0.32 H new ATOM 0 HD11 ILE A 39 14.108 2.376 -5.670 1.00 0.29 H new ATOM 0 HD12 ILE A 39 14.716 1.174 -6.834 1.00 0.29 H new ATOM 0 HD13 ILE A 39 13.298 2.169 -7.241 1.00 0.29 H new ATOM 334 N LEU A 40 11.901 -3.675 -7.019 1.00 0.20 N ATOM 335 CA LEU A 40 11.153 -4.873 -7.512 1.00 0.21 C ATOM 336 C LEU A 40 10.738 -5.659 -6.236 1.00 0.25 C ATOM 337 O LEU A 40 9.639 -6.154 -6.197 1.00 0.22 O ATOM 338 CB LEU A 40 12.055 -5.756 -8.426 1.00 0.19 C ATOM 339 CG LEU A 40 12.477 -4.994 -9.690 1.00 0.16 C ATOM 340 CD1 LEU A 40 13.183 -5.990 -10.602 1.00 0.17 C ATOM 341 CD2 LEU A 40 11.277 -4.441 -10.454 1.00 0.21 C ATOM 0 H LEU A 40 12.902 -3.660 -7.215 1.00 0.20 H new ATOM 0 HA LEU A 40 10.290 -4.585 -8.111 1.00 0.21 H new ATOM 0 HB2 LEU A 40 12.941 -6.069 -7.874 1.00 0.19 H new ATOM 0 HB3 LEU A 40 11.517 -6.662 -8.706 1.00 0.19 H new ATOM 0 HG LEU A 40 13.112 -4.158 -9.397 1.00 0.16 H new ATOM 0 HD11 LEU A 40 13.500 -5.486 -11.515 1.00 0.17 H new ATOM 0 HD12 LEU A 40 14.055 -6.397 -10.090 1.00 0.17 H new ATOM 0 HD13 LEU A 40 12.499 -6.801 -10.854 1.00 0.17 H new ATOM 0 HD21 LEU A 40 11.623 -3.910 -11.340 1.00 0.21 H new ATOM 0 HD22 LEU A 40 10.627 -5.263 -10.754 1.00 0.21 H new ATOM 0 HD23 LEU A 40 10.723 -3.755 -9.814 1.00 0.21 H new ATOM 353 N GLN A 41 11.595 -5.764 -5.245 1.00 0.30 N ATOM 354 CA GLN A 41 11.295 -6.497 -3.949 1.00 0.35 C ATOM 355 C GLN A 41 9.838 -6.090 -3.570 1.00 0.28 C ATOM 356 O GLN A 41 8.989 -6.896 -3.253 1.00 0.25 O ATOM 357 CB GLN A 41 12.264 -6.021 -2.782 1.00 0.72 C ATOM 358 CG GLN A 41 13.287 -6.995 -2.077 1.00 0.89 C ATOM 359 CD GLN A 41 14.573 -7.282 -2.849 1.00 0.96 C ATOM 360 OE1 GLN A 41 15.548 -7.836 -2.376 1.00 0.91 O ATOM 361 NE2 GLN A 41 14.648 -6.908 -4.072 1.00 2.72 N ATOM 0 H GLN A 41 12.530 -5.358 -5.275 1.00 0.30 H new ATOM 0 HA GLN A 41 11.426 -7.572 -4.077 1.00 0.35 H new ATOM 0 HB2 GLN A 41 12.848 -5.191 -3.181 1.00 0.72 H new ATOM 0 HB3 GLN A 41 11.628 -5.614 -1.995 1.00 0.72 H new ATOM 0 HG2 GLN A 41 13.554 -6.572 -1.109 1.00 0.89 H new ATOM 0 HG3 GLN A 41 12.783 -7.942 -1.883 1.00 0.89 H new ATOM 0 HE21 GLN A 41 13.856 -6.440 -4.512 1.00 2.72 H new ATOM 0 HE22 GLN A 41 15.500 -7.079 -4.606 1.00 2.72 H new ATOM 370 N ASP A 42 9.647 -4.802 -3.645 1.00 0.36 N ATOM 371 CA ASP A 42 8.358 -4.107 -3.341 1.00 0.51 C ATOM 372 C ASP A 42 7.251 -4.269 -4.386 1.00 0.49 C ATOM 373 O ASP A 42 6.144 -4.713 -4.162 1.00 0.56 O ATOM 374 CB ASP A 42 8.683 -2.602 -3.189 1.00 0.69 C ATOM 375 CG ASP A 42 8.596 -2.087 -1.795 1.00 1.38 C ATOM 376 OD1 ASP A 42 7.798 -2.596 -1.027 1.00 1.99 O ATOM 377 OD2 ASP A 42 9.364 -1.161 -1.632 1.00 1.60 O ATOM 0 H ASP A 42 10.387 -4.158 -3.925 1.00 0.36 H new ATOM 0 HA ASP A 42 7.958 -4.568 -2.438 1.00 0.51 H new ATOM 0 HB2 ASP A 42 9.689 -2.421 -3.567 1.00 0.69 H new ATOM 0 HB3 ASP A 42 7.999 -2.031 -3.817 1.00 0.69 H new ATOM 382 N LYS A 43 7.660 -3.854 -5.529 1.00 0.41 N ATOM 383 CA LYS A 43 6.841 -3.850 -6.745 1.00 0.42 C ATOM 384 C LYS A 43 7.541 -4.679 -7.843 1.00 0.28 C ATOM 385 O LYS A 43 8.132 -4.104 -8.728 1.00 0.24 O ATOM 386 CB LYS A 43 6.703 -2.341 -6.948 1.00 0.43 C ATOM 387 CG LYS A 43 5.725 -1.995 -8.070 1.00 0.49 C ATOM 388 CD LYS A 43 5.357 -0.498 -7.907 1.00 0.33 C ATOM 389 CE LYS A 43 5.177 0.178 -9.230 1.00 0.49 C ATOM 390 NZ LYS A 43 6.485 0.501 -9.771 1.00 2.39 N ATOM 0 H LYS A 43 8.601 -3.490 -5.677 1.00 0.41 H new ATOM 0 HA LYS A 43 5.860 -4.326 -6.729 1.00 0.42 H new ATOM 0 HB2 LYS A 43 6.365 -1.881 -6.019 1.00 0.43 H new ATOM 0 HB3 LYS A 43 7.680 -1.916 -7.177 1.00 0.43 H new ATOM 0 HG2 LYS A 43 6.177 -2.177 -9.045 1.00 0.49 H new ATOM 0 HG3 LYS A 43 4.834 -2.620 -8.011 1.00 0.49 H new ATOM 0 HD2 LYS A 43 4.439 -0.411 -7.326 1.00 0.33 H new ATOM 0 HD3 LYS A 43 6.140 0.009 -7.343 1.00 0.33 H new ATOM 0 HE2 LYS A 43 4.635 -0.473 -9.916 1.00 0.49 H new ATOM 0 HE3 LYS A 43 4.582 1.084 -9.113 1.00 0.49 H new ATOM 0 HZ1 LYS A 43 6.612 1.533 -9.780 1.00 2.39 H new ATOM 0 HZ2 LYS A 43 7.222 0.067 -9.179 1.00 2.39 H new ATOM 0 HZ3 LYS A 43 6.560 0.134 -10.741 1.00 2.39 H new ATOM 404 N PRO A 44 7.459 -5.995 -7.768 1.00 0.27 N ATOM 405 CA PRO A 44 8.235 -6.956 -8.629 1.00 0.29 C ATOM 406 C PRO A 44 8.232 -6.693 -10.141 1.00 0.62 C ATOM 407 O PRO A 44 9.144 -7.075 -10.844 1.00 0.79 O ATOM 408 CB PRO A 44 7.642 -8.318 -8.249 1.00 0.31 C ATOM 409 CG PRO A 44 7.285 -8.101 -6.767 1.00 0.15 C ATOM 410 CD PRO A 44 6.587 -6.743 -6.815 1.00 0.42 C ATOM 0 HA PRO A 44 9.303 -6.863 -8.433 1.00 0.29 H new ATOM 0 HB2 PRO A 44 6.766 -8.565 -8.849 1.00 0.31 H new ATOM 0 HB3 PRO A 44 8.359 -9.128 -8.383 1.00 0.31 H new ATOM 0 HG2 PRO A 44 6.631 -8.885 -6.384 1.00 0.15 H new ATOM 0 HG3 PRO A 44 8.170 -8.085 -6.130 1.00 0.15 H new ATOM 0 HD2 PRO A 44 5.561 -6.822 -7.173 1.00 0.42 H new ATOM 0 HD3 PRO A 44 6.547 -6.267 -5.835 1.00 0.42 H new ATOM 418 N GLU A 45 7.190 -6.052 -10.581 1.00 0.83 N ATOM 419 CA GLU A 45 6.972 -5.688 -12.017 1.00 1.17 C ATOM 420 C GLU A 45 7.298 -4.198 -12.314 1.00 1.00 C ATOM 421 O GLU A 45 7.208 -3.739 -13.440 1.00 1.28 O ATOM 422 CB GLU A 45 5.496 -5.975 -12.332 1.00 1.51 C ATOM 423 CG GLU A 45 5.040 -7.414 -11.880 1.00 2.23 C ATOM 424 CD GLU A 45 4.707 -7.555 -10.374 1.00 2.23 C ATOM 425 OE1 GLU A 45 4.798 -6.584 -9.627 1.00 1.91 O ATOM 426 OE2 GLU A 45 4.366 -8.689 -10.077 1.00 2.89 O ATOM 0 H GLU A 45 6.433 -5.746 -9.969 1.00 0.83 H new ATOM 0 HA GLU A 45 7.644 -6.276 -12.642 1.00 1.17 H new ATOM 0 HB2 GLU A 45 4.873 -5.230 -11.837 1.00 1.51 H new ATOM 0 HB3 GLU A 45 5.331 -5.867 -13.404 1.00 1.51 H new ATOM 0 HG2 GLU A 45 4.161 -7.698 -12.459 1.00 2.23 H new ATOM 0 HG3 GLU A 45 5.829 -8.123 -12.130 1.00 2.23 H new ATOM 433 N ALA A 46 7.663 -3.479 -11.288 1.00 0.55 N ATOM 434 CA ALA A 46 7.998 -2.046 -11.436 1.00 0.37 C ATOM 435 C ALA A 46 8.818 -1.681 -12.686 1.00 0.42 C ATOM 436 O ALA A 46 9.869 -2.209 -13.003 1.00 0.53 O ATOM 437 CB ALA A 46 8.769 -1.580 -10.185 1.00 0.29 C ATOM 0 H ALA A 46 7.743 -3.838 -10.337 1.00 0.55 H new ATOM 0 HA ALA A 46 7.042 -1.537 -11.554 1.00 0.37 H new ATOM 0 HB1 ALA A 46 9.021 -0.524 -10.285 1.00 0.29 H new ATOM 0 HB2 ALA A 46 8.148 -1.723 -9.301 1.00 0.29 H new ATOM 0 HB3 ALA A 46 9.684 -2.163 -10.084 1.00 0.29 H new ATOM 443 N GLN A 47 8.285 -0.722 -13.366 1.00 0.37 N ATOM 444 CA GLN A 47 8.890 -0.181 -14.605 1.00 0.45 C ATOM 445 C GLN A 47 9.776 0.919 -13.979 1.00 0.43 C ATOM 446 O GLN A 47 9.440 2.088 -13.911 1.00 0.48 O ATOM 447 CB GLN A 47 7.726 0.348 -15.486 1.00 0.45 C ATOM 448 CG GLN A 47 6.652 -0.782 -15.659 1.00 0.87 C ATOM 449 CD GLN A 47 5.481 -0.371 -16.553 1.00 1.43 C ATOM 450 OE1 GLN A 47 4.590 -1.145 -16.810 1.00 2.47 O ATOM 451 NE2 GLN A 47 5.376 0.801 -17.082 1.00 1.39 N ATOM 0 H GLN A 47 7.411 -0.267 -13.102 1.00 0.37 H new ATOM 0 HA GLN A 47 9.456 -0.846 -15.257 1.00 0.45 H new ATOM 0 HB2 GLN A 47 7.275 1.226 -15.024 1.00 0.45 H new ATOM 0 HB3 GLN A 47 8.104 0.659 -16.460 1.00 0.45 H new ATOM 0 HG2 GLN A 47 7.130 -1.666 -16.081 1.00 0.87 H new ATOM 0 HG3 GLN A 47 6.270 -1.064 -14.678 1.00 0.87 H new ATOM 0 HE21 GLN A 47 6.093 1.505 -16.907 1.00 1.39 H new ATOM 0 HE22 GLN A 47 4.576 1.023 -17.675 1.00 1.39 H new ATOM 460 N ILE A 48 10.900 0.439 -13.504 1.00 0.34 N ATOM 461 CA ILE A 48 11.945 1.283 -12.836 1.00 0.33 C ATOM 462 C ILE A 48 12.823 2.049 -13.854 1.00 0.43 C ATOM 463 O ILE A 48 13.801 1.585 -14.420 1.00 0.71 O ATOM 464 CB ILE A 48 12.850 0.389 -11.949 1.00 0.34 C ATOM 465 CG1 ILE A 48 11.954 -0.598 -11.160 1.00 0.43 C ATOM 466 CG2 ILE A 48 13.528 1.321 -10.902 1.00 0.38 C ATOM 467 CD1 ILE A 48 12.773 -1.374 -10.132 1.00 0.36 C ATOM 0 H ILE A 48 11.147 -0.549 -13.555 1.00 0.34 H new ATOM 0 HA ILE A 48 11.424 2.021 -12.227 1.00 0.33 H new ATOM 0 HB ILE A 48 13.576 -0.149 -12.559 1.00 0.34 H new ATOM 0 HG12 ILE A 48 11.157 -0.050 -10.657 1.00 0.43 H new ATOM 0 HG13 ILE A 48 11.476 -1.293 -11.850 1.00 0.43 H new ATOM 0 HG21 ILE A 48 14.176 0.730 -10.255 1.00 0.38 H new ATOM 0 HG22 ILE A 48 14.121 2.077 -11.417 1.00 0.38 H new ATOM 0 HG23 ILE A 48 12.762 1.810 -10.300 1.00 0.38 H new ATOM 0 HD11 ILE A 48 12.122 -2.060 -9.591 1.00 0.36 H new ATOM 0 HD12 ILE A 48 13.554 -1.940 -10.641 1.00 0.36 H new ATOM 0 HD13 ILE A 48 13.229 -0.677 -9.429 1.00 0.36 H new ATOM 479 N ILE A 49 12.375 3.253 -13.974 1.00 0.26 N ATOM 480 CA ILE A 49 12.898 4.343 -14.849 1.00 0.29 C ATOM 481 C ILE A 49 13.960 5.171 -14.110 1.00 0.26 C ATOM 482 O ILE A 49 14.145 5.002 -12.926 1.00 0.37 O ATOM 483 CB ILE A 49 11.697 5.172 -15.209 1.00 0.29 C ATOM 484 CG1 ILE A 49 10.856 4.298 -16.177 1.00 0.34 C ATOM 485 CG2 ILE A 49 12.094 6.598 -15.718 1.00 0.29 C ATOM 486 CD1 ILE A 49 9.912 5.145 -16.929 1.00 0.33 C ATOM 0 H ILE A 49 11.567 3.564 -13.434 1.00 0.26 H new ATOM 0 HA ILE A 49 13.391 3.955 -15.740 1.00 0.29 H new ATOM 0 HB ILE A 49 11.077 5.419 -14.347 1.00 0.29 H new ATOM 0 HG12 ILE A 49 11.513 3.770 -16.868 1.00 0.34 H new ATOM 0 HG13 ILE A 49 10.310 3.541 -15.615 1.00 0.34 H new ATOM 0 HG21 ILE A 49 11.193 7.160 -15.966 1.00 0.29 H new ATOM 0 HG22 ILE A 49 12.645 7.122 -14.938 1.00 0.29 H new ATOM 0 HG23 ILE A 49 12.720 6.506 -16.606 1.00 0.29 H new ATOM 0 HD11 ILE A 49 9.326 4.524 -17.606 1.00 0.33 H new ATOM 0 HD12 ILE A 49 9.245 5.653 -16.233 1.00 0.33 H new ATOM 0 HD13 ILE A 49 10.467 5.886 -17.505 1.00 0.33 H new ATOM 498 N VAL A 50 14.645 6.040 -14.806 1.00 0.42 N ATOM 499 CA VAL A 50 15.690 6.916 -14.223 1.00 0.49 C ATOM 500 C VAL A 50 15.604 8.401 -14.707 1.00 0.56 C ATOM 501 O VAL A 50 15.160 8.667 -15.810 1.00 0.74 O ATOM 502 CB VAL A 50 17.073 6.334 -14.595 1.00 0.63 C ATOM 503 CG1 VAL A 50 18.175 7.067 -13.829 1.00 0.71 C ATOM 504 CG2 VAL A 50 17.155 4.842 -14.236 1.00 0.64 C ATOM 0 H VAL A 50 14.510 6.180 -15.807 1.00 0.42 H new ATOM 0 HA VAL A 50 15.536 6.936 -13.144 1.00 0.49 H new ATOM 0 HB VAL A 50 17.206 6.461 -15.669 1.00 0.63 H new ATOM 0 HG11 VAL A 50 19.145 6.649 -14.098 1.00 0.71 H new ATOM 0 HG12 VAL A 50 18.153 8.126 -14.084 1.00 0.71 H new ATOM 0 HG13 VAL A 50 18.014 6.949 -12.758 1.00 0.71 H new ATOM 0 HG21 VAL A 50 18.138 4.456 -14.507 1.00 0.64 H new ATOM 0 HG22 VAL A 50 16.999 4.716 -13.165 1.00 0.64 H new ATOM 0 HG23 VAL A 50 16.387 4.294 -14.781 1.00 0.64 H new ATOM 514 N LEU A 51 16.019 9.295 -13.842 1.00 0.50 N ATOM 515 CA LEU A 51 16.066 10.780 -14.072 1.00 0.54 C ATOM 516 C LEU A 51 17.287 11.275 -13.248 1.00 0.50 C ATOM 517 O LEU A 51 18.042 10.478 -12.710 1.00 0.52 O ATOM 518 CB LEU A 51 14.783 11.522 -13.535 1.00 0.64 C ATOM 519 CG LEU A 51 14.664 11.405 -11.985 1.00 0.53 C ATOM 520 CD1 LEU A 51 13.920 12.629 -11.437 1.00 0.63 C ATOM 521 CD2 LEU A 51 13.783 10.263 -11.610 1.00 0.46 C ATOM 0 H LEU A 51 16.353 9.033 -12.914 1.00 0.50 H new ATOM 0 HA LEU A 51 16.128 10.987 -15.140 1.00 0.54 H new ATOM 0 HB2 LEU A 51 14.823 12.573 -13.820 1.00 0.64 H new ATOM 0 HB3 LEU A 51 13.894 11.099 -14.002 1.00 0.64 H new ATOM 0 HG LEU A 51 15.676 11.297 -11.595 1.00 0.53 H new ATOM 0 HD11 LEU A 51 13.836 12.549 -10.353 1.00 0.63 H new ATOM 0 HD12 LEU A 51 14.471 13.534 -11.692 1.00 0.63 H new ATOM 0 HD13 LEU A 51 12.923 12.675 -11.876 1.00 0.63 H new ATOM 0 HD21 LEU A 51 13.713 10.199 -10.524 1.00 0.46 H new ATOM 0 HD22 LEU A 51 12.789 10.418 -12.029 1.00 0.46 H new ATOM 0 HD23 LEU A 51 14.202 9.336 -12.002 1.00 0.46 H new ATOM 759 N ASP A 66 2.496 1.302 -11.915 1.00 0.33 N ATOM 760 CA ASP A 66 3.449 0.321 -12.528 1.00 0.41 C ATOM 761 C ASP A 66 4.925 0.812 -12.518 1.00 0.28 C ATOM 762 O ASP A 66 5.869 0.065 -12.362 1.00 0.28 O ATOM 763 CB ASP A 66 2.955 0.103 -13.956 1.00 0.61 C ATOM 764 CG ASP A 66 2.741 1.480 -14.599 1.00 1.37 C ATOM 765 OD1 ASP A 66 3.727 2.127 -14.904 1.00 2.91 O ATOM 766 OD2 ASP A 66 1.573 1.790 -14.722 1.00 0.72 O ATOM 0 HA ASP A 66 3.461 -0.602 -11.948 1.00 0.41 H new ATOM 0 HB2 ASP A 66 3.682 -0.475 -14.527 1.00 0.61 H new ATOM 0 HB3 ASP A 66 2.025 -0.466 -13.955 1.00 0.61 H new ATOM 771 N ARG A 67 5.095 2.087 -12.666 1.00 0.29 N ATOM 772 CA ARG A 67 6.435 2.760 -12.702 1.00 0.26 C ATOM 773 C ARG A 67 6.999 3.193 -11.346 1.00 0.15 C ATOM 774 O ARG A 67 6.332 3.153 -10.329 1.00 0.42 O ATOM 775 CB ARG A 67 6.253 3.983 -13.635 1.00 0.34 C ATOM 776 CG ARG A 67 7.514 4.911 -13.689 1.00 1.65 C ATOM 777 CD ARG A 67 7.228 6.101 -14.590 1.00 1.78 C ATOM 778 NE ARG A 67 6.455 7.158 -13.830 1.00 2.10 N ATOM 779 CZ ARG A 67 6.478 8.393 -14.215 1.00 2.67 C ATOM 780 NH1 ARG A 67 6.511 8.596 -15.464 1.00 2.42 N ATOM 781 NH2 ARG A 67 6.461 9.358 -13.378 1.00 3.48 N ATOM 0 H ARG A 67 4.316 2.737 -12.771 1.00 0.29 H new ATOM 0 HA ARG A 67 7.175 2.042 -13.056 1.00 0.26 H new ATOM 0 HB2 ARG A 67 6.024 3.633 -14.642 1.00 0.34 H new ATOM 0 HB3 ARG A 67 5.396 4.565 -13.297 1.00 0.34 H new ATOM 0 HG2 ARG A 67 7.770 5.253 -12.686 1.00 1.65 H new ATOM 0 HG3 ARG A 67 8.373 4.355 -14.065 1.00 1.65 H new ATOM 0 HD2 ARG A 67 8.164 6.520 -14.960 1.00 1.78 H new ATOM 0 HD3 ARG A 67 6.657 5.778 -15.461 1.00 1.78 H new ATOM 0 HE ARG A 67 5.912 6.894 -13.008 1.00 2.10 H new ATOM 0 HH11 ARG A 67 6.518 7.806 -16.109 1.00 2.42 H new ATOM 0 HH12 ARG A 67 6.530 9.550 -15.825 1.00 2.42 H new ATOM 0 HH21 ARG A 67 6.429 9.164 -12.377 1.00 3.48 H new ATOM 0 HH22 ARG A 67 6.480 10.322 -13.711 1.00 3.48 H new ATOM 795 N VAL A 68 8.259 3.520 -11.421 1.00 0.34 N ATOM 796 CA VAL A 68 9.086 4.026 -10.283 1.00 0.28 C ATOM 797 C VAL A 68 10.192 4.739 -11.042 1.00 0.20 C ATOM 798 O VAL A 68 10.817 4.108 -11.869 1.00 0.13 O ATOM 799 CB VAL A 68 9.754 2.927 -9.370 1.00 0.30 C ATOM 800 CG1 VAL A 68 10.620 3.641 -8.261 1.00 0.31 C ATOM 801 CG2 VAL A 68 8.635 2.131 -8.697 1.00 0.28 C ATOM 0 H VAL A 68 8.786 3.451 -12.291 1.00 0.34 H new ATOM 0 HA VAL A 68 8.476 4.603 -9.588 1.00 0.28 H new ATOM 0 HB VAL A 68 10.390 2.268 -9.961 1.00 0.30 H new ATOM 0 HG11 VAL A 68 11.087 2.890 -7.624 1.00 0.31 H new ATOM 0 HG12 VAL A 68 11.393 4.245 -8.736 1.00 0.31 H new ATOM 0 HG13 VAL A 68 9.979 4.282 -7.656 1.00 0.31 H new ATOM 0 HG21 VAL A 68 9.069 1.362 -8.058 1.00 0.28 H new ATOM 0 HG22 VAL A 68 8.024 2.802 -8.093 1.00 0.28 H new ATOM 0 HG23 VAL A 68 8.014 1.661 -9.459 1.00 0.28 H new ATOM 811 N ARG A 69 10.412 5.996 -10.793 1.00 0.30 N ATOM 812 CA ARG A 69 11.504 6.720 -11.528 1.00 0.36 C ATOM 813 C ARG A 69 12.647 6.760 -10.515 1.00 0.30 C ATOM 814 O ARG A 69 12.393 6.936 -9.332 1.00 0.34 O ATOM 815 CB ARG A 69 11.122 8.175 -11.879 1.00 0.64 C ATOM 816 CG ARG A 69 10.267 8.339 -13.152 1.00 0.91 C ATOM 817 CD ARG A 69 10.314 9.849 -13.527 1.00 1.37 C ATOM 818 NE ARG A 69 11.557 10.130 -14.351 1.00 2.02 N ATOM 819 CZ ARG A 69 11.531 10.743 -15.473 1.00 2.70 C ATOM 820 NH1 ARG A 69 11.201 10.131 -16.526 1.00 3.40 N ATOM 821 NH2 ARG A 69 11.834 11.969 -15.506 1.00 2.97 N ATOM 0 H ARG A 69 9.892 6.558 -10.119 1.00 0.30 H new ATOM 0 HA ARG A 69 11.734 6.224 -12.471 1.00 0.36 H new ATOM 0 HB2 ARG A 69 10.578 8.604 -11.037 1.00 0.64 H new ATOM 0 HB3 ARG A 69 12.037 8.756 -11.997 1.00 0.64 H new ATOM 0 HG2 ARG A 69 10.659 7.726 -13.964 1.00 0.91 H new ATOM 0 HG3 ARG A 69 9.241 8.015 -12.974 1.00 0.91 H new ATOM 0 HD2 ARG A 69 9.422 10.122 -14.091 1.00 1.37 H new ATOM 0 HD3 ARG A 69 10.319 10.459 -12.623 1.00 1.37 H new ATOM 0 HE ARG A 69 12.458 9.814 -13.992 1.00 2.02 H new ATOM 0 HH11 ARG A 69 10.953 9.142 -16.485 1.00 3.40 H new ATOM 0 HH12 ARG A 69 11.182 10.625 -17.418 1.00 3.40 H new ATOM 0 HH21 ARG A 69 12.094 12.453 -14.647 1.00 2.97 H new ATOM 0 HH22 ARG A 69 11.819 12.474 -16.392 1.00 2.97 H new ATOM 835 N LEU A 70 13.853 6.618 -10.989 1.00 0.28 N ATOM 836 CA LEU A 70 15.014 6.637 -10.044 1.00 0.29 C ATOM 837 C LEU A 70 15.856 7.904 -10.202 1.00 0.31 C ATOM 838 O LEU A 70 16.197 8.267 -11.310 1.00 0.36 O ATOM 839 CB LEU A 70 15.854 5.356 -10.317 1.00 0.28 C ATOM 840 CG LEU A 70 15.807 4.483 -9.035 1.00 0.37 C ATOM 841 CD1 LEU A 70 16.253 3.032 -9.252 1.00 0.39 C ATOM 842 CD2 LEU A 70 16.813 5.079 -8.098 1.00 0.42 C ATOM 0 H LEU A 70 14.088 6.491 -11.974 1.00 0.28 H new ATOM 0 HA LEU A 70 14.658 6.646 -9.014 1.00 0.29 H new ATOM 0 HB2 LEU A 70 15.451 4.808 -11.169 1.00 0.28 H new ATOM 0 HB3 LEU A 70 16.883 5.618 -10.565 1.00 0.28 H new ATOM 0 HG LEU A 70 14.777 4.468 -8.680 1.00 0.37 H new ATOM 0 HD11 LEU A 70 16.192 2.488 -8.310 1.00 0.39 H new ATOM 0 HD12 LEU A 70 15.603 2.558 -9.988 1.00 0.39 H new ATOM 0 HD13 LEU A 70 17.281 3.018 -9.613 1.00 0.39 H new ATOM 0 HD21 LEU A 70 16.830 4.507 -7.170 1.00 0.42 H new ATOM 0 HD22 LEU A 70 17.800 5.052 -8.559 1.00 0.42 H new ATOM 0 HD23 LEU A 70 16.542 6.112 -7.882 1.00 0.42 H new ATOM 854 N ALA A 71 16.160 8.509 -9.084 1.00 0.26 N ATOM 855 CA ALA A 71 16.973 9.758 -9.066 1.00 0.29 C ATOM 856 C ALA A 71 18.434 9.379 -8.688 1.00 0.25 C ATOM 857 O ALA A 71 18.827 9.369 -7.535 1.00 0.25 O ATOM 858 CB ALA A 71 16.273 10.691 -8.043 1.00 0.26 C ATOM 0 H ALA A 71 15.871 8.181 -8.162 1.00 0.26 H new ATOM 0 HA ALA A 71 17.035 10.275 -10.024 1.00 0.29 H new ATOM 0 HB1 ALA A 71 16.818 11.633 -7.977 1.00 0.26 H new ATOM 0 HB2 ALA A 71 15.251 10.885 -8.368 1.00 0.26 H new ATOM 0 HB3 ALA A 71 16.258 10.211 -7.064 1.00 0.26 H new ATOM 864 N VAL A 72 19.190 9.073 -9.708 1.00 0.21 N ATOM 865 CA VAL A 72 20.635 8.674 -9.548 1.00 0.18 C ATOM 866 C VAL A 72 21.555 9.777 -10.069 1.00 0.22 C ATOM 867 O VAL A 72 21.094 10.724 -10.678 1.00 0.21 O ATOM 868 CB VAL A 72 20.986 7.429 -10.378 1.00 0.13 C ATOM 869 CG1 VAL A 72 20.231 6.247 -9.929 1.00 0.06 C ATOM 870 CG2 VAL A 72 20.607 7.665 -11.816 1.00 0.19 C ATOM 0 H VAL A 72 18.865 9.081 -10.675 1.00 0.21 H new ATOM 0 HA VAL A 72 20.773 8.484 -8.484 1.00 0.18 H new ATOM 0 HB VAL A 72 22.055 7.252 -10.259 1.00 0.13 H new ATOM 0 HG11 VAL A 72 20.506 5.387 -10.539 1.00 0.06 H new ATOM 0 HG12 VAL A 72 20.465 6.041 -8.885 1.00 0.06 H new ATOM 0 HG13 VAL A 72 19.163 6.438 -10.031 1.00 0.06 H new ATOM 0 HG21 VAL A 72 20.855 6.783 -12.407 1.00 0.19 H new ATOM 0 HG22 VAL A 72 19.536 7.858 -11.883 1.00 0.19 H new ATOM 0 HG23 VAL A 72 21.155 8.525 -12.200 1.00 0.19 H new ATOM 880 N ASP A 73 22.823 9.622 -9.827 1.00 0.32 N ATOM 881 CA ASP A 73 23.782 10.649 -10.314 1.00 0.43 C ATOM 882 C ASP A 73 24.493 10.087 -11.573 1.00 0.46 C ATOM 883 O ASP A 73 23.942 9.350 -12.369 1.00 0.41 O ATOM 884 CB ASP A 73 24.762 10.938 -9.148 1.00 0.49 C ATOM 885 CG ASP A 73 25.859 9.895 -9.092 1.00 0.72 C ATOM 886 OD1 ASP A 73 25.536 8.726 -9.175 1.00 1.13 O ATOM 887 OD2 ASP A 73 26.974 10.378 -8.990 1.00 1.63 O ATOM 0 H ASP A 73 23.235 8.839 -9.319 1.00 0.32 H new ATOM 0 HA ASP A 73 23.301 11.584 -10.603 1.00 0.43 H new ATOM 0 HB2 ASP A 73 25.202 11.927 -9.274 1.00 0.49 H new ATOM 0 HB3 ASP A 73 24.217 10.949 -8.204 1.00 0.49 H new ATOM 892 N LYS A 74 25.728 10.471 -11.717 1.00 0.58 N ATOM 893 CA LYS A 74 26.566 10.050 -12.845 1.00 0.65 C ATOM 894 C LYS A 74 27.211 8.681 -12.577 1.00 0.66 C ATOM 895 O LYS A 74 27.579 7.966 -13.481 1.00 0.86 O ATOM 896 CB LYS A 74 27.677 11.078 -13.063 1.00 0.86 C ATOM 897 CG LYS A 74 27.241 12.576 -13.026 1.00 0.74 C ATOM 898 CD LYS A 74 26.892 13.089 -11.585 1.00 0.75 C ATOM 899 CE LYS A 74 27.983 12.692 -10.565 1.00 2.74 C ATOM 900 NZ LYS A 74 27.482 13.023 -9.206 1.00 3.28 N ATOM 0 H LYS A 74 26.203 11.090 -11.060 1.00 0.58 H new ATOM 0 HA LYS A 74 25.932 9.974 -13.728 1.00 0.65 H new ATOM 0 HB2 LYS A 74 28.442 10.924 -12.302 1.00 0.86 H new ATOM 0 HB3 LYS A 74 28.144 10.880 -14.028 1.00 0.86 H new ATOM 0 HG2 LYS A 74 28.042 13.190 -13.438 1.00 0.74 H new ATOM 0 HG3 LYS A 74 26.373 12.710 -13.671 1.00 0.74 H new ATOM 0 HD2 LYS A 74 26.783 14.173 -11.600 1.00 0.75 H new ATOM 0 HD3 LYS A 74 25.933 12.676 -11.273 1.00 0.75 H new ATOM 0 HE2 LYS A 74 28.206 11.628 -10.640 1.00 2.74 H new ATOM 0 HE3 LYS A 74 28.910 13.227 -10.770 1.00 2.74 H new ATOM 0 HZ1 LYS A 74 28.228 13.511 -8.670 1.00 3.28 H new ATOM 0 HZ2 LYS A 74 26.650 13.642 -9.284 1.00 3.28 H new ATOM 0 HZ3 LYS A 74 27.217 12.148 -8.711 1.00 3.28 H new ATOM 914 N LEU A 75 27.318 8.380 -11.322 1.00 0.54 N ATOM 915 CA LEU A 75 27.931 7.119 -10.820 1.00 0.47 C ATOM 916 C LEU A 75 26.812 6.202 -10.340 1.00 0.32 C ATOM 917 O LEU A 75 26.874 5.606 -9.280 1.00 0.25 O ATOM 918 CB LEU A 75 28.859 7.525 -9.687 1.00 0.52 C ATOM 919 CG LEU A 75 29.773 8.696 -10.044 1.00 0.64 C ATOM 920 CD1 LEU A 75 30.423 9.123 -8.728 1.00 0.72 C ATOM 921 CD2 LEU A 75 30.837 8.232 -11.039 1.00 0.69 C ATOM 0 H LEU A 75 26.986 8.992 -10.577 1.00 0.54 H new ATOM 0 HA LEU A 75 28.494 6.580 -11.581 1.00 0.47 H new ATOM 0 HB2 LEU A 75 28.261 7.792 -8.815 1.00 0.52 H new ATOM 0 HB3 LEU A 75 29.471 6.669 -9.404 1.00 0.52 H new ATOM 0 HG LEU A 75 29.228 9.519 -10.506 1.00 0.64 H new ATOM 0 HD11 LEU A 75 31.094 9.962 -8.909 1.00 0.72 H new ATOM 0 HD12 LEU A 75 29.650 9.423 -8.021 1.00 0.72 H new ATOM 0 HD13 LEU A 75 30.989 8.288 -8.314 1.00 0.72 H new ATOM 0 HD21 LEU A 75 31.488 9.069 -11.292 1.00 0.69 H new ATOM 0 HD22 LEU A 75 31.430 7.434 -10.592 1.00 0.69 H new ATOM 0 HD23 LEU A 75 30.353 7.862 -11.943 1.00 0.69 H new ATOM 933 N ASP A 76 25.829 6.189 -11.188 1.00 0.32 N ATOM 934 CA ASP A 76 24.586 5.387 -11.023 1.00 0.20 C ATOM 935 C ASP A 76 24.199 4.987 -9.577 1.00 0.16 C ATOM 936 O ASP A 76 23.777 3.874 -9.301 1.00 0.17 O ATOM 937 CB ASP A 76 24.705 4.117 -12.001 1.00 0.22 C ATOM 938 CG ASP A 76 25.978 3.265 -12.005 1.00 0.71 C ATOM 939 OD1 ASP A 76 27.024 3.751 -11.625 1.00 0.38 O ATOM 940 OD2 ASP A 76 25.793 2.136 -12.419 1.00 1.75 O ATOM 0 H ASP A 76 25.839 6.740 -12.047 1.00 0.32 H new ATOM 0 HA ASP A 76 23.751 6.033 -11.294 1.00 0.20 H new ATOM 0 HB2 ASP A 76 23.872 3.453 -11.771 1.00 0.22 H new ATOM 0 HB3 ASP A 76 24.554 4.477 -13.019 1.00 0.22 H new ATOM 945 N ASN A 77 24.361 5.934 -8.680 1.00 0.17 N ATOM 946 CA ASN A 77 23.988 5.654 -7.266 1.00 0.15 C ATOM 947 C ASN A 77 22.770 6.556 -7.052 1.00 0.17 C ATOM 948 O ASN A 77 22.648 7.618 -7.643 1.00 0.22 O ATOM 949 CB ASN A 77 25.179 5.979 -6.271 1.00 0.22 C ATOM 950 CG ASN A 77 25.900 7.313 -6.406 1.00 0.69 C ATOM 951 OD1 ASN A 77 26.910 7.391 -7.201 1.00 1.55 O flip ATOM 952 ND2 ASN A 77 25.580 8.308 -5.798 1.00 0.41 N flip ATOM 0 H ASN A 77 24.728 6.868 -8.865 1.00 0.17 H new ATOM 0 HA ASN A 77 23.768 4.604 -7.071 1.00 0.15 H new ATOM 0 HB2 ASN A 77 24.788 5.916 -5.255 1.00 0.22 H new ATOM 0 HB3 ASN A 77 25.923 5.189 -6.376 1.00 0.22 H new ATOM 0 HD21 ASN A 77 24.785 8.282 -5.160 1.00 0.41 H new ATOM 0 HD22 ASN A 77 26.105 9.173 -5.923 1.00 0.41 H new ATOM 959 N ILE A 78 21.923 6.051 -6.199 1.00 0.12 N ATOM 960 CA ILE A 78 20.648 6.738 -5.852 1.00 0.11 C ATOM 961 C ILE A 78 20.915 7.971 -5.040 1.00 0.12 C ATOM 962 O ILE A 78 21.244 7.939 -3.874 1.00 0.13 O ATOM 963 CB ILE A 78 19.737 5.726 -5.087 1.00 0.13 C ATOM 964 CG1 ILE A 78 19.550 4.374 -5.827 1.00 0.18 C ATOM 965 CG2 ILE A 78 18.287 6.334 -4.894 1.00 0.15 C ATOM 966 CD1 ILE A 78 19.704 4.545 -7.326 1.00 0.28 C ATOM 0 H ILE A 78 22.067 5.165 -5.714 1.00 0.12 H new ATOM 0 HA ILE A 78 20.136 7.064 -6.758 1.00 0.11 H new ATOM 0 HB ILE A 78 20.245 5.545 -4.139 1.00 0.13 H new ATOM 0 HG12 ILE A 78 20.282 3.653 -5.463 1.00 0.18 H new ATOM 0 HG13 ILE A 78 18.564 3.967 -5.604 1.00 0.18 H new ATOM 0 HG21 ILE A 78 17.661 5.619 -4.360 1.00 0.15 H new ATOM 0 HG22 ILE A 78 18.353 7.258 -4.320 1.00 0.15 H new ATOM 0 HG23 ILE A 78 17.847 6.543 -5.869 1.00 0.15 H new ATOM 0 HD11 ILE A 78 19.568 3.582 -7.818 1.00 0.28 H new ATOM 0 HD12 ILE A 78 18.955 5.248 -7.691 1.00 0.28 H new ATOM 0 HD13 ILE A 78 20.700 4.928 -7.548 1.00 0.28 H new ATOM 978 N ALA A 79 20.735 9.030 -5.767 1.00 0.15 N ATOM 979 CA ALA A 79 20.933 10.400 -5.230 1.00 0.16 C ATOM 980 C ALA A 79 19.698 10.776 -4.390 1.00 0.12 C ATOM 981 O ALA A 79 19.786 11.471 -3.401 1.00 0.11 O ATOM 982 CB ALA A 79 21.131 11.278 -6.463 1.00 0.22 C ATOM 0 H ALA A 79 20.449 9.002 -6.746 1.00 0.15 H new ATOM 0 HA ALA A 79 21.790 10.510 -4.566 1.00 0.16 H new ATOM 0 HB1 ALA A 79 21.285 12.312 -6.153 1.00 0.22 H new ATOM 0 HB2 ALA A 79 22.002 10.933 -7.019 1.00 0.22 H new ATOM 0 HB3 ALA A 79 20.247 11.217 -7.098 1.00 0.22 H new ATOM 988 N GLN A 80 18.559 10.320 -4.826 1.00 0.13 N ATOM 989 CA GLN A 80 17.287 10.612 -4.076 1.00 0.08 C ATOM 990 C GLN A 80 16.325 9.461 -3.915 1.00 0.11 C ATOM 991 O GLN A 80 16.485 8.409 -4.479 1.00 0.26 O ATOM 992 CB GLN A 80 16.508 11.762 -4.738 1.00 0.09 C ATOM 993 CG GLN A 80 16.242 12.866 -3.649 1.00 0.16 C ATOM 994 CD GLN A 80 15.668 14.098 -4.324 1.00 0.66 C ATOM 995 OE1 GLN A 80 16.396 14.879 -4.890 1.00 1.58 O ATOM 996 NE2 GLN A 80 14.405 14.362 -4.336 1.00 1.51 N ATOM 0 H GLN A 80 18.444 9.757 -5.669 1.00 0.13 H new ATOM 0 HA GLN A 80 17.649 10.866 -3.080 1.00 0.08 H new ATOM 0 HB2 GLN A 80 17.077 12.178 -5.570 1.00 0.09 H new ATOM 0 HB3 GLN A 80 15.566 11.397 -5.147 1.00 0.09 H new ATOM 0 HG2 GLN A 80 15.549 12.492 -2.896 1.00 0.16 H new ATOM 0 HG3 GLN A 80 17.169 13.117 -3.133 1.00 0.16 H new ATOM 0 HE21 GLN A 80 13.748 13.734 -3.872 1.00 1.51 H new ATOM 0 HE22 GLN A 80 14.063 15.199 -4.809 1.00 1.51 H new ATOM 1005 N VAL A 81 15.336 9.735 -3.123 1.00 0.05 N ATOM 1006 CA VAL A 81 14.265 8.761 -2.821 1.00 0.06 C ATOM 1007 C VAL A 81 13.471 8.555 -4.123 1.00 0.08 C ATOM 1008 O VAL A 81 12.709 9.426 -4.510 1.00 0.10 O ATOM 1009 CB VAL A 81 13.415 9.373 -1.711 1.00 0.04 C ATOM 1010 CG1 VAL A 81 12.327 8.373 -1.338 1.00 0.05 C ATOM 1011 CG2 VAL A 81 14.315 9.728 -0.490 1.00 0.18 C ATOM 0 H VAL A 81 15.223 10.634 -2.654 1.00 0.05 H new ATOM 0 HA VAL A 81 14.630 7.791 -2.483 1.00 0.06 H new ATOM 0 HB VAL A 81 12.946 10.298 -2.047 1.00 0.04 H new ATOM 0 HG11 VAL A 81 11.706 8.790 -0.545 1.00 0.05 H new ATOM 0 HG12 VAL A 81 11.709 8.165 -2.211 1.00 0.05 H new ATOM 0 HG13 VAL A 81 12.787 7.448 -0.990 1.00 0.05 H new ATOM 0 HG21 VAL A 81 13.702 10.164 0.299 1.00 0.18 H new ATOM 0 HG22 VAL A 81 14.796 8.824 -0.117 1.00 0.18 H new ATOM 0 HG23 VAL A 81 15.077 10.445 -0.796 1.00 0.18 H new ATOM 1021 N PRO A 82 13.661 7.437 -4.794 1.00 0.12 N ATOM 1022 CA PRO A 82 12.992 7.223 -6.103 1.00 0.17 C ATOM 1023 C PRO A 82 11.482 6.986 -5.746 1.00 0.33 C ATOM 1024 O PRO A 82 11.160 6.481 -4.682 1.00 0.38 O ATOM 1025 CB PRO A 82 13.862 6.060 -6.645 1.00 0.11 C ATOM 1026 CG PRO A 82 14.095 5.202 -5.428 1.00 0.13 C ATOM 1027 CD PRO A 82 14.500 6.263 -4.397 1.00 0.13 C ATOM 0 HA PRO A 82 12.942 7.992 -6.874 1.00 0.17 H new ATOM 0 HB2 PRO A 82 13.350 5.509 -7.433 1.00 0.11 H new ATOM 0 HB3 PRO A 82 14.800 6.422 -7.067 1.00 0.11 H new ATOM 0 HG2 PRO A 82 13.199 4.657 -5.129 1.00 0.13 H new ATOM 0 HG3 PRO A 82 14.879 4.462 -5.589 1.00 0.13 H new ATOM 0 HD2 PRO A 82 14.289 5.940 -3.378 1.00 0.13 H new ATOM 0 HD3 PRO A 82 15.565 6.490 -4.445 1.00 0.13 H new ATOM 1035 N ARG A 83 10.588 7.356 -6.623 1.00 0.45 N ATOM 1036 CA ARG A 83 9.115 7.188 -6.350 1.00 0.60 C ATOM 1037 C ARG A 83 8.324 6.462 -7.422 1.00 0.50 C ATOM 1038 O ARG A 83 8.756 6.441 -8.553 1.00 0.45 O ATOM 1039 CB ARG A 83 8.597 8.586 -6.119 1.00 0.77 C ATOM 1040 CG ARG A 83 9.255 9.073 -4.821 1.00 0.50 C ATOM 1041 CD ARG A 83 8.910 10.497 -4.632 1.00 1.02 C ATOM 1042 NE ARG A 83 9.942 11.245 -5.413 1.00 2.69 N ATOM 1043 CZ ARG A 83 9.596 12.081 -6.301 1.00 3.81 C ATOM 1044 NH1 ARG A 83 9.145 13.222 -5.999 1.00 3.84 N ATOM 1045 NH2 ARG A 83 9.707 11.742 -7.499 1.00 5.27 N ATOM 0 H ARG A 83 10.809 7.772 -7.528 1.00 0.45 H new ATOM 0 HA ARG A 83 8.983 6.532 -5.489 1.00 0.60 H new ATOM 0 HB2 ARG A 83 8.851 9.239 -6.954 1.00 0.77 H new ATOM 0 HB3 ARG A 83 7.511 8.590 -6.031 1.00 0.77 H new ATOM 0 HG2 ARG A 83 8.907 8.482 -3.974 1.00 0.50 H new ATOM 0 HG3 ARG A 83 10.337 8.948 -4.873 1.00 0.50 H new ATOM 0 HD2 ARG A 83 7.905 10.713 -4.996 1.00 1.02 H new ATOM 0 HD3 ARG A 83 8.934 10.774 -3.578 1.00 1.02 H new ATOM 0 HE ARG A 83 10.932 11.082 -5.230 1.00 2.69 H new ATOM 0 HH11 ARG A 83 9.052 13.491 -5.019 1.00 3.84 H new ATOM 0 HH12 ARG A 83 8.874 13.875 -6.735 1.00 3.84 H new ATOM 0 HH21 ARG A 83 10.067 10.817 -7.736 1.00 5.27 H new ATOM 0 HH22 ARG A 83 9.438 12.390 -8.239 1.00 5.27 H new ATOM 1059 N VAL A 84 7.201 5.917 -7.043 1.00 0.49 N ATOM 1060 CA VAL A 84 6.347 5.144 -8.032 1.00 0.37 C ATOM 1061 C VAL A 84 5.778 5.642 -9.373 1.00 0.49 C ATOM 1062 O VAL A 84 6.450 5.709 -10.389 1.00 0.91 O ATOM 1063 CB VAL A 84 5.144 4.512 -7.174 1.00 0.39 C ATOM 1064 CG1 VAL A 84 4.109 3.672 -7.998 1.00 0.27 C ATOM 1065 CG2 VAL A 84 5.743 3.438 -6.350 1.00 0.46 C ATOM 0 H VAL A 84 6.826 5.965 -6.096 1.00 0.49 H new ATOM 0 HA VAL A 84 7.129 4.526 -8.474 1.00 0.37 H new ATOM 0 HB VAL A 84 4.664 5.359 -6.684 1.00 0.39 H new ATOM 0 HG11 VAL A 84 3.337 3.289 -7.330 1.00 0.27 H new ATOM 0 HG12 VAL A 84 3.650 4.304 -8.758 1.00 0.27 H new ATOM 0 HG13 VAL A 84 4.619 2.838 -8.480 1.00 0.27 H new ATOM 0 HG21 VAL A 84 4.968 2.970 -5.743 1.00 0.46 H new ATOM 0 HG22 VAL A 84 6.195 2.690 -7.001 1.00 0.46 H new ATOM 0 HG23 VAL A 84 6.507 3.862 -5.699 1.00 0.46 H new