USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.06 K(o=-0.94,f=0.71) USER MOD Set 1.2: A 69 THR OG1 : rot -3:sc= 1.12 USER MOD Set 2.1: A 63 THR OG1 : rot -153:sc= 1.19 USER MOD Set 2.2: A 64 SER OG : rot -160:sc= 0 USER MOD Single : A 1 SER OG : rot 43:sc= 0.537 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -0.0042 (180deg=-0.0662) USER MOD Single : A 8 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.81) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.349 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.119 (180deg=-0.281) USER MOD Single : A 24 THR OG1 : rot 87:sc= 0.169! USER MOD Single : A 29 ASN : amide:sc= -2.62 K(o=-2.6,f=-15!) USER MOD Single : A 31 ASN : amide:sc= -5.11 K(o=-5.1,f=-4.5!) USER MOD Single : A 33 HIS : no HE2:sc= -4.67! K(o=-4.7!,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 170:sc= -0.333 USER MOD Single : A 43 MET CE :methyl -157:sc= -7.46! (180deg=-7.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.379 K(o=0.38,f=-11!) USER MOD Single : A 59 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-0.9) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 14.583 8.373 -10.619 1.00 0.00 C HETATM 2 O ACE A 0 15.251 7.413 -10.235 1.00 0.00 O HETATM 3 CH3 ACE A 0 15.076 9.271 -11.731 1.00 0.00 C HETATM 0 H1 ACE A 0 14.365 9.251 -12.557 1.00 0.00 H new HETATM 0 H2 ACE A 0 15.172 10.291 -11.359 1.00 0.00 H new HETATM 0 H3 ACE A 0 16.047 8.919 -12.079 1.00 0.00 H new ATOM 7 N SER A 1 13.405 8.701 -10.104 1.00 0.00 N ATOM 8 CA SER A 1 12.747 7.950 -8.997 1.00 0.00 C ATOM 9 C SER A 1 11.884 6.735 -9.482 1.00 0.00 C ATOM 10 O SER A 1 10.676 6.875 -9.702 1.00 0.00 O ATOM 11 CB SER A 1 11.939 8.983 -8.170 1.00 0.00 C ATOM 12 OG SER A 1 10.852 9.542 -8.914 1.00 0.00 O ATOM 0 H SER A 1 12.860 9.498 -10.432 1.00 0.00 H new ATOM 0 HA SER A 1 13.505 7.475 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.552 8.503 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.603 9.783 -7.844 1.00 0.00 H new ATOM 0 HG SER A 1 10.398 8.832 -9.413 1.00 0.00 H new ATOM 18 N ARG A 2 12.477 5.529 -9.659 1.00 0.00 N ATOM 19 CA ARG A 2 11.755 4.372 -10.179 1.00 0.00 C ATOM 20 C ARG A 2 12.418 3.071 -9.730 1.00 0.00 C ATOM 21 O ARG A 2 12.918 2.299 -10.549 1.00 0.00 O ATOM 22 CB ARG A 2 11.685 4.436 -11.708 1.00 0.00 C ATOM 23 CG ARG A 2 10.277 4.304 -12.265 1.00 0.00 C ATOM 24 CD ARG A 2 10.292 3.746 -13.679 1.00 0.00 C ATOM 25 NE ARG A 2 9.981 2.318 -13.707 1.00 0.00 N ATOM 26 CZ ARG A 2 8.792 1.818 -14.044 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.789 2.622 -14.378 1.00 0.00 N ATOM 28 NH2 ARG A 2 8.606 0.506 -14.044 1.00 0.00 N ATOM 0 H ARG A 2 13.457 5.346 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 2 10.741 4.392 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.110 5.382 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.306 3.643 -12.124 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.688 3.651 -11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.790 5.279 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.569 4.287 -14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.273 3.912 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 2 10.720 1.663 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.924 3.633 -14.378 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.884 2.228 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.371 -0.118 -13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.698 0.120 -14.301 1.00 0.00 H new ATOM 42 N ARG A 3 12.416 2.837 -8.422 1.00 0.00 N ATOM 43 CA ARG A 3 13.010 1.636 -7.850 1.00 0.00 C ATOM 44 C ARG A 3 12.142 1.109 -6.714 1.00 0.00 C ATOM 45 O ARG A 3 12.285 1.524 -5.564 1.00 0.00 O ATOM 46 CB ARG A 3 14.418 1.933 -7.333 1.00 0.00 C ATOM 47 CG ARG A 3 14.546 3.282 -6.645 1.00 0.00 C ATOM 48 CD ARG A 3 15.992 3.602 -6.310 1.00 0.00 C ATOM 49 NE ARG A 3 16.773 3.912 -7.506 1.00 0.00 N ATOM 50 CZ ARG A 3 16.615 5.020 -8.227 1.00 0.00 C ATOM 51 NH1 ARG A 3 15.707 5.924 -7.881 1.00 0.00 N ATOM 52 NH2 ARG A 3 17.367 5.222 -9.300 1.00 0.00 N ATOM 0 H ARG A 3 12.006 3.469 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 3 13.074 0.877 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.711 1.150 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.118 1.893 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.140 4.061 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.951 3.283 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.027 4.448 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.441 2.754 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 3 17.480 3.241 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.124 5.772 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.592 6.770 -8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.065 4.529 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.248 6.070 -9.854 1.00 0.00 H new ATOM 66 N CYS A 4 11.234 0.203 -7.046 1.00 0.00 N ATOM 67 CA CYS A 4 10.336 -0.369 -6.056 1.00 0.00 C ATOM 68 C CYS A 4 10.549 -1.863 -5.909 1.00 0.00 C ATOM 69 O CYS A 4 10.606 -2.589 -6.901 1.00 0.00 O ATOM 70 CB CYS A 4 8.884 -0.079 -6.433 1.00 0.00 C ATOM 71 SG CYS A 4 7.930 0.756 -5.128 1.00 0.00 S ATOM 0 H CYS A 4 11.100 -0.151 -7.993 1.00 0.00 H new ATOM 0 HA CYS A 4 10.558 0.096 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.870 0.539 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 4 8.391 -1.018 -6.684 1.00 0.00 H new ATOM 76 N PRO A 5 10.679 -2.348 -4.661 1.00 0.00 N ATOM 77 CA PRO A 5 10.889 -3.765 -4.399 1.00 0.00 C ATOM 78 C PRO A 5 9.671 -4.604 -4.779 1.00 0.00 C ATOM 79 O PRO A 5 9.048 -5.240 -3.929 1.00 0.00 O ATOM 80 CB PRO A 5 11.143 -3.843 -2.889 1.00 0.00 C ATOM 81 CG PRO A 5 11.383 -2.437 -2.448 1.00 0.00 C ATOM 82 CD PRO A 5 10.642 -1.561 -3.416 1.00 0.00 C ATOM 0 HA PRO A 5 11.714 -4.161 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.288 -4.276 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.003 -4.475 -2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.025 -2.282 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.448 -2.205 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.620 -1.370 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.125 -0.591 -3.536 1.00 0.00 H new ATOM 89 N GLY A 6 9.337 -4.589 -6.064 1.00 0.00 N ATOM 90 CA GLY A 6 8.194 -5.336 -6.557 1.00 0.00 C ATOM 91 C GLY A 6 7.634 -4.743 -7.835 1.00 0.00 C ATOM 92 O GLY A 6 8.102 -3.703 -8.300 1.00 0.00 O ATOM 0 H GLY A 6 9.843 -4.067 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.487 -6.370 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.416 -5.353 -5.794 1.00 0.00 H new ATOM 96 N LYS A 7 6.624 -5.397 -8.399 1.00 0.00 N ATOM 97 CA LYS A 7 5.997 -4.925 -9.628 1.00 0.00 C ATOM 98 C LYS A 7 5.407 -3.524 -9.438 1.00 0.00 C ATOM 99 O LYS A 7 5.126 -3.106 -8.311 1.00 0.00 O ATOM 100 CB LYS A 7 4.943 -5.929 -10.090 1.00 0.00 C ATOM 101 CG LYS A 7 4.394 -5.618 -11.470 1.00 0.00 C ATOM 102 CD LYS A 7 3.692 -6.823 -12.090 1.00 0.00 C ATOM 103 CE LYS A 7 4.143 -7.064 -13.524 1.00 0.00 C ATOM 104 NZ LYS A 7 5.558 -7.519 -13.601 1.00 0.00 N ATOM 0 H LYS A 7 6.222 -6.256 -8.024 1.00 0.00 H new ATOM 0 HA LYS A 7 6.755 -4.847 -10.408 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.378 -6.928 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.122 -5.942 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.694 -4.785 -11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.208 -5.298 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.896 -7.710 -11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.614 -6.666 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.497 -7.812 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.027 -6.145 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.746 -7.910 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.192 -6.713 -13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.726 -8.253 -12.883 1.00 0.00 H new ATOM 118 N ASN A 8 5.259 -2.791 -10.548 1.00 0.00 N ATOM 119 CA ASN A 8 4.742 -1.422 -10.509 1.00 0.00 C ATOM 120 C ASN A 8 3.382 -1.295 -11.198 1.00 0.00 C ATOM 121 O ASN A 8 2.674 -0.316 -11.010 1.00 0.00 O ATOM 122 CB ASN A 8 5.742 -0.469 -11.165 1.00 0.00 C ATOM 123 CG ASN A 8 7.073 -0.438 -10.439 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.333 0.455 -9.633 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.922 -1.420 -10.720 1.00 0.00 N ATOM 0 H ASN A 8 5.491 -3.125 -11.483 1.00 0.00 H new ATOM 0 HA ASN A 8 4.605 -1.157 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.903 -0.771 -12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.320 0.536 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.832 -1.455 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.664 -2.140 -11.395 1.00 0.00 H new ATOM 132 N ALA A 9 3.021 -2.283 -11.996 1.00 0.00 N ATOM 133 CA ALA A 9 1.745 -2.268 -12.699 1.00 0.00 C ATOM 134 C ALA A 9 1.207 -3.685 -12.796 1.00 0.00 C ATOM 135 O ALA A 9 1.885 -4.579 -13.298 1.00 0.00 O ATOM 136 CB ALA A 9 1.905 -1.654 -14.086 1.00 0.00 C ATOM 0 H ALA A 9 3.592 -3.109 -12.176 1.00 0.00 H new ATOM 0 HA ALA A 9 1.035 -1.655 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.942 -1.651 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.268 -0.631 -13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.620 -2.241 -14.663 1.00 0.00 H new ATOM 142 N TRP A 10 0.004 -3.898 -12.293 1.00 0.00 N ATOM 143 CA TRP A 10 -0.589 -5.226 -12.314 1.00 0.00 C ATOM 144 C TRP A 10 -1.723 -5.316 -13.325 1.00 0.00 C ATOM 145 O TRP A 10 -2.892 -5.366 -12.957 1.00 0.00 O ATOM 146 CB TRP A 10 -1.081 -5.599 -10.916 1.00 0.00 C ATOM 147 CG TRP A 10 0.043 -5.887 -9.972 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.570 -7.109 -9.667 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.791 -4.925 -9.223 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.602 -6.964 -8.771 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.757 -5.630 -8.485 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.733 -3.537 -9.107 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.662 -4.988 -7.642 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.631 -2.896 -8.269 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.585 -3.624 -7.548 1.00 0.00 C ATOM 0 H TRP A 10 -0.578 -3.176 -11.868 1.00 0.00 H new ATOM 0 HA TRP A 10 0.179 -5.936 -12.622 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.686 -4.785 -10.518 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.728 -6.474 -10.983 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.227 -8.050 -10.070 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.161 -7.723 -8.382 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.000 -2.970 -9.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.398 -5.546 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.595 -1.821 -8.171 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.275 -3.099 -6.904 1.00 0.00 H new ATOM 166 N PRO A 11 -1.390 -5.357 -14.625 1.00 0.00 N ATOM 167 CA PRO A 11 -2.393 -5.460 -15.686 1.00 0.00 C ATOM 168 C PRO A 11 -3.226 -6.729 -15.547 1.00 0.00 C ATOM 169 O PRO A 11 -4.423 -6.739 -15.841 1.00 0.00 O ATOM 170 CB PRO A 11 -1.564 -5.495 -16.976 1.00 0.00 C ATOM 171 CG PRO A 11 -0.189 -5.881 -16.548 1.00 0.00 C ATOM 172 CD PRO A 11 -0.018 -5.328 -15.162 1.00 0.00 C ATOM 0 HA PRO A 11 -3.106 -4.636 -15.660 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.972 -6.214 -17.686 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.564 -4.524 -17.470 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.068 -6.964 -16.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.560 -5.473 -17.226 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.662 -5.936 -14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.389 -4.317 -15.178 1.00 0.00 H new ATOM 179 N GLU A 12 -2.582 -7.798 -15.090 1.00 0.00 N ATOM 180 CA GLU A 12 -3.261 -9.073 -14.904 1.00 0.00 C ATOM 181 C GLU A 12 -4.345 -8.978 -13.832 1.00 0.00 C ATOM 182 O GLU A 12 -5.177 -9.877 -13.704 1.00 0.00 O ATOM 183 CB GLU A 12 -2.256 -10.157 -14.540 1.00 0.00 C ATOM 184 CG GLU A 12 -1.488 -9.859 -13.271 1.00 0.00 C ATOM 185 CD GLU A 12 -0.063 -9.426 -13.542 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.145 -8.635 -14.487 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.844 -9.875 -12.809 1.00 0.00 O ATOM 0 H GLU A 12 -1.593 -7.806 -14.842 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.744 -9.334 -15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.781 -11.105 -14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.551 -10.281 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.002 -9.075 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.480 -10.747 -12.638 1.00 0.00 H new ATOM 194 N LEU A 13 -4.343 -7.886 -13.068 1.00 0.00 N ATOM 195 CA LEU A 13 -5.345 -7.688 -12.028 1.00 0.00 C ATOM 196 C LEU A 13 -6.632 -7.136 -12.628 1.00 0.00 C ATOM 197 O LEU A 13 -7.709 -7.280 -12.051 1.00 0.00 O ATOM 198 CB LEU A 13 -4.833 -6.741 -10.937 1.00 0.00 C ATOM 199 CG LEU A 13 -3.848 -7.362 -9.944 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.484 -6.357 -8.862 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.436 -8.625 -9.332 1.00 0.00 C ATOM 0 H LEU A 13 -3.662 -7.131 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.548 -8.658 -11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.352 -5.888 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.688 -6.355 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.938 -7.634 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.783 -6.813 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.023 -5.481 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.385 -6.056 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.723 -9.054 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.360 -8.379 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.647 -9.347 -10.121 1.00 0.00 H new ATOM 213 N VAL A 14 -6.518 -6.508 -13.799 1.00 0.00 N ATOM 214 CA VAL A 14 -7.676 -5.939 -14.474 1.00 0.00 C ATOM 215 C VAL A 14 -8.754 -6.999 -14.677 1.00 0.00 C ATOM 216 O VAL A 14 -8.552 -7.977 -15.399 1.00 0.00 O ATOM 217 CB VAL A 14 -7.289 -5.339 -15.841 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.483 -4.644 -16.483 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.115 -4.378 -15.691 1.00 0.00 C ATOM 0 H VAL A 14 -5.636 -6.383 -14.296 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.064 -5.143 -13.839 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.980 -6.152 -16.498 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.187 -4.228 -17.446 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.287 -5.365 -16.630 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.830 -3.841 -15.832 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.856 -3.965 -16.666 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.391 -3.568 -15.015 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.257 -4.913 -15.284 1.00 0.00 H new ATOM 229 N GLY A 15 -9.893 -6.810 -14.024 1.00 0.00 N ATOM 230 CA GLY A 15 -10.977 -7.765 -14.135 1.00 0.00 C ATOM 231 C GLY A 15 -11.184 -8.550 -12.854 1.00 0.00 C ATOM 232 O GLY A 15 -12.204 -9.217 -12.686 1.00 0.00 O ATOM 0 H GLY A 15 -10.085 -6.012 -13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.897 -7.239 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.768 -8.455 -14.952 1.00 0.00 H new ATOM 236 N LYS A 16 -10.217 -8.464 -11.942 1.00 0.00 N ATOM 237 CA LYS A 16 -10.312 -9.168 -10.667 1.00 0.00 C ATOM 238 C LYS A 16 -10.932 -8.269 -9.603 1.00 0.00 C ATOM 239 O LYS A 16 -10.947 -7.047 -9.744 1.00 0.00 O ATOM 240 CB LYS A 16 -8.931 -9.641 -10.210 1.00 0.00 C ATOM 241 CG LYS A 16 -8.398 -10.825 -11.002 1.00 0.00 C ATOM 242 CD LYS A 16 -8.673 -12.145 -10.294 1.00 0.00 C ATOM 243 CE LYS A 16 -9.411 -13.120 -11.196 1.00 0.00 C ATOM 244 NZ LYS A 16 -9.561 -14.460 -10.563 1.00 0.00 N ATOM 0 H LYS A 16 -9.364 -7.917 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.953 -10.039 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.227 -8.813 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.980 -9.913 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.858 -10.839 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.325 -10.709 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.731 -12.589 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.263 -11.961 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.396 -12.719 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.872 -13.222 -12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.070 -15.095 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.621 -14.855 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.098 -14.367 -9.677 1.00 0.00 H new ATOM 258 N SER A 17 -11.449 -8.878 -8.540 1.00 0.00 N ATOM 259 CA SER A 17 -12.074 -8.121 -7.460 1.00 0.00 C ATOM 260 C SER A 17 -11.073 -7.167 -6.819 1.00 0.00 C ATOM 261 O SER A 17 -9.907 -7.514 -6.626 1.00 0.00 O ATOM 262 CB SER A 17 -12.637 -9.066 -6.397 1.00 0.00 C ATOM 263 OG SER A 17 -11.622 -9.497 -5.506 1.00 0.00 O ATOM 0 H SER A 17 -11.448 -9.889 -8.403 1.00 0.00 H new ATOM 0 HA SER A 17 -12.891 -7.539 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.425 -8.561 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.092 -9.931 -6.880 1.00 0.00 H new ATOM 0 HG SER A 17 -12.009 -10.098 -4.836 1.00 0.00 H new ATOM 269 N GLY A 18 -11.534 -5.967 -6.477 1.00 0.00 N ATOM 270 CA GLY A 18 -10.664 -4.986 -5.850 1.00 0.00 C ATOM 271 C GLY A 18 -9.867 -5.578 -4.705 1.00 0.00 C ATOM 272 O GLY A 18 -8.732 -5.173 -4.450 1.00 0.00 O ATOM 0 H GLY A 18 -12.494 -5.656 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.980 -4.580 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.264 -4.154 -5.481 1.00 0.00 H new ATOM 276 N ASN A 19 -10.461 -6.551 -4.019 1.00 0.00 N ATOM 277 CA ASN A 19 -9.797 -7.209 -2.901 1.00 0.00 C ATOM 278 C ASN A 19 -8.670 -8.098 -3.406 1.00 0.00 C ATOM 279 O ASN A 19 -7.561 -8.085 -2.869 1.00 0.00 O ATOM 280 CB ASN A 19 -10.801 -8.041 -2.100 1.00 0.00 C ATOM 281 CG ASN A 19 -11.442 -7.249 -0.977 1.00 0.00 C ATOM 282 OD1 ASN A 19 -10.906 -7.172 0.129 1.00 0.00 O ATOM 283 ND2 ASN A 19 -12.597 -6.655 -1.255 1.00 0.00 N ATOM 0 H ASN A 19 -11.399 -6.900 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.377 -6.443 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.578 -8.411 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.296 -8.913 -1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.075 -6.109 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.006 -6.745 -2.185 1.00 0.00 H new ATOM 290 N MET A 20 -8.963 -8.864 -4.452 1.00 0.00 N ATOM 291 CA MET A 20 -7.975 -9.752 -5.044 1.00 0.00 C ATOM 292 C MET A 20 -6.817 -8.937 -5.607 1.00 0.00 C ATOM 293 O MET A 20 -5.652 -9.324 -5.493 1.00 0.00 O ATOM 294 CB MET A 20 -8.616 -10.601 -6.145 1.00 0.00 C ATOM 295 CG MET A 20 -8.326 -12.086 -6.016 1.00 0.00 C ATOM 296 SD MET A 20 -6.629 -12.503 -6.460 1.00 0.00 S ATOM 297 CE MET A 20 -5.921 -12.806 -4.843 1.00 0.00 C ATOM 0 H MET A 20 -9.877 -8.886 -4.905 1.00 0.00 H new ATOM 0 HA MET A 20 -7.592 -10.421 -4.273 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.695 -10.448 -6.128 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.259 -10.253 -7.114 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.517 -12.402 -4.990 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.012 -12.643 -6.654 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.978 -13.341 -4.953 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.742 -11.856 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.611 -13.406 -4.250 1.00 0.00 H new ATOM 307 N ALA A 21 -7.149 -7.795 -6.202 1.00 0.00 N ATOM 308 CA ALA A 21 -6.143 -6.910 -6.770 1.00 0.00 C ATOM 309 C ALA A 21 -5.218 -6.384 -5.678 1.00 0.00 C ATOM 310 O ALA A 21 -4.004 -6.604 -5.713 1.00 0.00 O ATOM 311 CB ALA A 21 -6.811 -5.758 -7.509 1.00 0.00 C ATOM 0 H ALA A 21 -8.108 -7.463 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.543 -7.476 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.047 -5.104 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.432 -6.153 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.432 -5.192 -6.815 1.00 0.00 H new ATOM 317 N ALA A 22 -5.802 -5.703 -4.695 1.00 0.00 N ATOM 318 CA ALA A 22 -5.032 -5.155 -3.585 1.00 0.00 C ATOM 319 C ALA A 22 -4.160 -6.229 -2.945 1.00 0.00 C ATOM 320 O ALA A 22 -3.019 -5.971 -2.566 1.00 0.00 O ATOM 321 CB ALA A 22 -5.960 -4.538 -2.549 1.00 0.00 C ATOM 0 H ALA A 22 -6.804 -5.519 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.378 -4.376 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.370 -4.133 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.538 -3.737 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.638 -5.301 -2.167 1.00 0.00 H new ATOM 327 N ALA A 23 -4.705 -7.437 -2.829 1.00 0.00 N ATOM 328 CA ALA A 23 -3.972 -8.548 -2.240 1.00 0.00 C ATOM 329 C ALA A 23 -2.750 -8.896 -3.084 1.00 0.00 C ATOM 330 O ALA A 23 -1.653 -9.093 -2.559 1.00 0.00 O ATOM 331 CB ALA A 23 -4.878 -9.762 -2.097 1.00 0.00 C ATOM 0 H ALA A 23 -5.650 -7.669 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.631 -8.247 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.316 -10.585 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.722 -9.512 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.245 -10.059 -3.079 1.00 0.00 H new ATOM 337 N THR A 24 -2.950 -8.966 -4.397 1.00 0.00 N ATOM 338 CA THR A 24 -1.869 -9.289 -5.324 1.00 0.00 C ATOM 339 C THR A 24 -0.745 -8.263 -5.237 1.00 0.00 C ATOM 340 O THR A 24 0.431 -8.620 -5.269 1.00 0.00 O ATOM 341 CB THR A 24 -2.401 -9.358 -6.753 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.589 -10.128 -6.809 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.414 -9.964 -7.727 1.00 0.00 C ATOM 0 H THR A 24 -3.852 -8.803 -4.844 1.00 0.00 H new ATOM 0 HA THR A 24 -1.466 -10.262 -5.044 1.00 0.00 H new ATOM 0 HB THR A 24 -2.588 -8.324 -7.044 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.361 -9.553 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.853 -9.984 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.504 -9.364 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.173 -10.981 -7.416 1.00 0.00 H new ATOM 351 N VAL A 25 -1.110 -6.990 -5.130 1.00 0.00 N ATOM 352 CA VAL A 25 -0.117 -5.924 -5.043 1.00 0.00 C ATOM 353 C VAL A 25 0.666 -5.997 -3.736 1.00 0.00 C ATOM 354 O VAL A 25 1.897 -5.978 -3.740 1.00 0.00 O ATOM 355 CB VAL A 25 -0.765 -4.531 -5.170 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.301 -3.447 -5.237 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.674 -4.474 -6.391 1.00 0.00 C ATOM 0 H VAL A 25 -2.079 -6.672 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 25 0.569 -6.070 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.374 -4.352 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.177 -2.472 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.904 -3.474 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.940 -3.618 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.123 -3.483 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.090 -4.676 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.461 -5.222 -6.294 1.00 0.00 H new ATOM 367 N GLU A 26 -0.047 -6.075 -2.616 1.00 0.00 N ATOM 368 CA GLU A 26 0.600 -6.144 -1.310 1.00 0.00 C ATOM 369 C GLU A 26 1.362 -7.457 -1.141 1.00 0.00 C ATOM 370 O GLU A 26 2.336 -7.526 -0.391 1.00 0.00 O ATOM 371 CB GLU A 26 -0.432 -5.990 -0.189 1.00 0.00 C ATOM 372 CG GLU A 26 -1.455 -4.892 -0.451 1.00 0.00 C ATOM 373 CD GLU A 26 -1.513 -3.854 0.656 1.00 0.00 C ATOM 374 OE1 GLU A 26 -0.704 -3.943 1.602 1.00 0.00 O ATOM 375 OE2 GLU A 26 -2.366 -2.944 0.570 1.00 0.00 O ATOM 0 H GLU A 26 -1.066 -6.092 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 26 1.314 -5.322 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.954 -6.937 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.087 -5.776 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.215 -4.397 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.440 -5.343 -0.570 1.00 0.00 H new ATOM 382 N ARG A 27 0.915 -8.495 -1.841 1.00 0.00 N ATOM 383 CA ARG A 27 1.563 -9.801 -1.764 1.00 0.00 C ATOM 384 C ARG A 27 2.797 -9.846 -2.660 1.00 0.00 C ATOM 385 O ARG A 27 3.902 -10.128 -2.198 1.00 0.00 O ATOM 386 CB ARG A 27 0.583 -10.905 -2.166 1.00 0.00 C ATOM 387 CG ARG A 27 -0.348 -11.328 -1.042 1.00 0.00 C ATOM 388 CD ARG A 27 -0.607 -12.826 -1.067 1.00 0.00 C ATOM 389 NE ARG A 27 -1.622 -13.185 -2.054 1.00 0.00 N ATOM 390 CZ ARG A 27 -1.587 -14.293 -2.794 1.00 0.00 C ATOM 391 NH1 ARG A 27 -0.594 -15.166 -2.659 1.00 0.00 N ATOM 392 NH2 ARG A 27 -2.551 -14.530 -3.672 1.00 0.00 N ATOM 0 H ARG A 27 0.110 -8.458 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 27 1.878 -9.965 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.013 -10.560 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.146 -11.774 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.088 -11.049 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.293 -10.793 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.321 -13.352 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.928 -13.156 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.407 -12.547 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.151 -14.991 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.577 -16.011 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.317 -13.865 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.527 -15.377 -4.240 1.00 0.00 H new ATOM 406 N GLU A 28 2.600 -9.560 -3.943 1.00 0.00 N ATOM 407 CA GLU A 28 3.697 -9.560 -4.903 1.00 0.00 C ATOM 408 C GLU A 28 4.706 -8.471 -4.561 1.00 0.00 C ATOM 409 O GLU A 28 5.912 -8.652 -4.728 1.00 0.00 O ATOM 410 CB GLU A 28 3.166 -9.347 -6.323 1.00 0.00 C ATOM 411 CG GLU A 28 2.567 -10.597 -6.947 1.00 0.00 C ATOM 412 CD GLU A 28 2.709 -10.610 -8.456 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.400 -9.578 -9.089 1.00 0.00 O ATOM 414 OE2 GLU A 28 3.131 -11.649 -9.005 1.00 0.00 O ATOM 0 H GLU A 28 1.691 -9.325 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 28 4.193 -10.529 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.409 -8.563 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.979 -8.990 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.055 -11.478 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.512 -10.662 -6.683 1.00 0.00 H new ATOM 421 N ASN A 29 4.199 -7.340 -4.082 1.00 0.00 N ATOM 422 CA ASN A 29 5.050 -6.213 -3.716 1.00 0.00 C ATOM 423 C ASN A 29 4.786 -5.774 -2.277 1.00 0.00 C ATOM 424 O ASN A 29 4.087 -4.788 -2.031 1.00 0.00 O ATOM 425 CB ASN A 29 4.816 -5.045 -4.674 1.00 0.00 C ATOM 426 CG ASN A 29 5.759 -3.890 -4.409 1.00 0.00 C ATOM 427 OD1 ASN A 29 6.229 -3.707 -3.281 1.00 0.00 O ATOM 428 ND2 ASN A 29 6.043 -3.106 -5.447 1.00 0.00 N ATOM 0 H ASN A 29 3.202 -7.179 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 29 6.090 -6.532 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.944 -5.388 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.786 -4.700 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.674 -2.313 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.630 -3.298 -6.359 1.00 0.00 H new ATOM 435 N ARG A 30 5.363 -6.510 -1.332 1.00 0.00 N ATOM 436 CA ARG A 30 5.203 -6.210 0.087 1.00 0.00 C ATOM 437 C ARG A 30 5.745 -4.825 0.451 1.00 0.00 C ATOM 438 O ARG A 30 5.594 -4.381 1.590 1.00 0.00 O ATOM 439 CB ARG A 30 5.908 -7.276 0.931 1.00 0.00 C ATOM 440 CG ARG A 30 5.113 -8.563 1.080 1.00 0.00 C ATOM 441 CD ARG A 30 5.280 -9.165 2.467 1.00 0.00 C ATOM 442 NE ARG A 30 4.820 -8.260 3.519 1.00 0.00 N ATOM 443 CZ ARG A 30 3.640 -8.361 4.132 1.00 0.00 C ATOM 444 NH1 ARG A 30 2.788 -9.325 3.805 1.00 0.00 N ATOM 445 NH2 ARG A 30 3.310 -7.492 5.077 1.00 0.00 N ATOM 0 H ARG A 30 5.949 -7.323 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 30 4.134 -6.213 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.873 -7.506 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.110 -6.868 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.058 -8.363 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.439 -9.282 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.723 -10.100 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.330 -9.408 2.632 1.00 0.00 H new ATOM 0 HE ARG A 30 5.442 -7.503 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.033 -9.998 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.888 -9.393 4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.958 -6.748 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.408 -7.568 5.547 1.00 0.00 H new ATOM 459 N ASN A 31 6.377 -4.139 -0.502 1.00 0.00 N ATOM 460 CA ASN A 31 6.927 -2.814 -0.235 1.00 0.00 C ATOM 461 C ASN A 31 5.901 -1.714 -0.492 1.00 0.00 C ATOM 462 O ASN A 31 6.190 -0.534 -0.298 1.00 0.00 O ATOM 463 CB ASN A 31 8.167 -2.573 -1.089 1.00 0.00 C ATOM 464 CG ASN A 31 8.889 -1.293 -0.708 1.00 0.00 C ATOM 465 OD1 ASN A 31 9.736 -1.288 0.185 1.00 0.00 O ATOM 466 ND2 ASN A 31 8.557 -0.201 -1.388 1.00 0.00 N ATOM 0 H ASN A 31 6.519 -4.476 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 31 7.200 -2.780 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.848 -3.417 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.879 -2.526 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.010 0.688 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.849 -0.252 -2.120 1.00 0.00 H new ATOM 473 N VAL A 32 4.707 -2.097 -0.938 1.00 0.00 N ATOM 474 CA VAL A 32 3.663 -1.125 -1.223 1.00 0.00 C ATOM 475 C VAL A 32 2.293 -1.633 -0.786 1.00 0.00 C ATOM 476 O VAL A 32 2.140 -2.800 -0.426 1.00 0.00 O ATOM 477 CB VAL A 32 3.636 -0.774 -2.725 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.030 -0.385 -3.194 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.095 -1.935 -3.552 1.00 0.00 C ATOM 0 H VAL A 32 4.443 -3.067 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 32 3.893 -0.226 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 32 2.966 0.074 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.001 -0.139 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.375 0.481 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.714 -1.218 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.088 -1.658 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.730 -2.809 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.080 -2.168 -3.231 1.00 0.00 H new ATOM 489 N HIS A 33 1.300 -0.748 -0.816 1.00 0.00 N ATOM 490 CA HIS A 33 -0.055 -1.120 -0.425 1.00 0.00 C ATOM 491 C HIS A 33 -1.080 -0.560 -1.412 1.00 0.00 C ATOM 492 O HIS A 33 -0.934 0.557 -1.913 1.00 0.00 O ATOM 493 CB HIS A 33 -0.348 -0.666 1.017 1.00 0.00 C ATOM 494 CG HIS A 33 -1.190 0.571 1.137 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.551 0.536 1.357 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.852 1.879 1.095 1.00 0.00 C ATOM 497 CE1 HIS A 33 -3.011 1.771 1.449 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.000 2.604 1.292 1.00 0.00 N ATOM 0 H HIS A 33 1.407 0.224 -1.105 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.136 -2.207 -0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.848 -1.479 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.600 -0.492 1.526 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.114 -0.311 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.138 2.279 0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.039 2.051 1.623 1.00 0.00 H new ATOM 507 N ALA A 34 -2.101 -1.359 -1.705 1.00 0.00 N ATOM 508 CA ALA A 34 -3.139 -0.960 -2.645 1.00 0.00 C ATOM 509 C ALA A 34 -4.427 -0.579 -1.930 1.00 0.00 C ATOM 510 O ALA A 34 -4.822 -1.215 -0.952 1.00 0.00 O ATOM 511 CB ALA A 34 -3.400 -2.075 -3.647 1.00 0.00 C ATOM 0 H ALA A 34 -2.231 -2.288 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.783 -0.078 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.178 -1.763 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.485 -2.291 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.724 -2.971 -3.118 1.00 0.00 H new ATOM 517 N ILE A 35 -5.081 0.460 -2.436 1.00 0.00 N ATOM 518 CA ILE A 35 -6.334 0.939 -1.864 1.00 0.00 C ATOM 519 C ILE A 35 -7.482 0.750 -2.850 1.00 0.00 C ATOM 520 O ILE A 35 -7.433 1.245 -3.975 1.00 0.00 O ATOM 521 CB ILE A 35 -6.239 2.426 -1.480 1.00 0.00 C ATOM 522 CG1 ILE A 35 -5.031 2.660 -0.571 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.521 2.885 -0.799 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.187 3.847 -0.978 1.00 0.00 C ATOM 0 H ILE A 35 -4.762 0.990 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.526 0.353 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.108 3.013 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.379 2.806 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.408 1.765 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.435 3.939 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.363 2.748 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.684 2.297 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.349 3.951 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.808 3.695 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.794 4.752 -0.951 1.00 0.00 H new ATOM 536 N VAL A 36 -8.513 0.030 -2.427 1.00 0.00 N ATOM 537 CA VAL A 36 -9.660 -0.220 -3.281 1.00 0.00 C ATOM 538 C VAL A 36 -10.601 0.978 -3.307 1.00 0.00 C ATOM 539 O VAL A 36 -11.076 1.443 -2.271 1.00 0.00 O ATOM 540 CB VAL A 36 -10.427 -1.474 -2.823 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.606 -1.758 -3.742 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.491 -2.672 -2.757 1.00 0.00 C ATOM 0 H VAL A 36 -8.576 -0.389 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.282 -0.387 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.821 -1.288 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -12.131 -2.649 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.288 -0.908 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.245 -1.921 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.047 -3.551 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.066 -2.856 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.688 -2.468 -2.048 1.00 0.00 H new ATOM 552 N LEU A 37 -10.850 1.470 -4.512 1.00 0.00 N ATOM 553 CA LEU A 37 -11.718 2.618 -4.724 1.00 0.00 C ATOM 554 C LEU A 37 -12.552 2.409 -5.983 1.00 0.00 C ATOM 555 O LEU A 37 -12.112 1.746 -6.915 1.00 0.00 O ATOM 556 CB LEU A 37 -10.879 3.889 -4.862 1.00 0.00 C ATOM 557 CG LEU A 37 -9.524 3.694 -5.552 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.666 3.837 -7.058 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.508 4.680 -5.021 1.00 0.00 C ATOM 0 H LEU A 37 -10.456 1.084 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.383 2.724 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.453 4.627 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.709 4.304 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.172 2.686 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.694 3.695 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.363 3.087 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.043 4.832 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.553 4.525 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.855 5.696 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.382 4.531 -3.949 1.00 0.00 H new ATOM 571 N LYS A 38 -13.754 2.969 -6.009 1.00 0.00 N ATOM 572 CA LYS A 38 -14.628 2.817 -7.168 1.00 0.00 C ATOM 573 C LYS A 38 -14.409 3.934 -8.186 1.00 0.00 C ATOM 574 O LYS A 38 -13.963 5.028 -7.840 1.00 0.00 O ATOM 575 CB LYS A 38 -16.094 2.798 -6.730 1.00 0.00 C ATOM 576 CG LYS A 38 -16.486 1.553 -5.949 1.00 0.00 C ATOM 577 CD LYS A 38 -16.338 1.767 -4.450 1.00 0.00 C ATOM 578 CE LYS A 38 -17.351 2.772 -3.925 1.00 0.00 C ATOM 579 NZ LYS A 38 -18.578 2.107 -3.404 1.00 0.00 N ATOM 0 H LYS A 38 -14.145 3.527 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.379 1.869 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.292 3.677 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.728 2.876 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.518 1.287 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.863 0.715 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.466 0.817 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.330 2.117 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.896 3.365 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.624 3.462 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.242 2.828 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.028 1.561 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.322 1.467 -2.625 1.00 0.00 H new ATOM 593 N GLU A 39 -14.742 3.649 -9.445 1.00 0.00 N ATOM 594 CA GLU A 39 -14.592 4.621 -10.526 1.00 0.00 C ATOM 595 C GLU A 39 -15.193 5.970 -10.141 1.00 0.00 C ATOM 596 O GLU A 39 -16.401 6.086 -9.932 1.00 0.00 O ATOM 597 CB GLU A 39 -15.261 4.105 -11.802 1.00 0.00 C ATOM 598 CG GLU A 39 -14.356 3.226 -12.650 1.00 0.00 C ATOM 599 CD GLU A 39 -15.128 2.386 -13.648 1.00 0.00 C ATOM 600 OE1 GLU A 39 -15.902 2.966 -14.438 1.00 0.00 O ATOM 601 OE2 GLU A 39 -14.959 1.148 -13.636 1.00 0.00 O ATOM 0 H GLU A 39 -15.119 2.749 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.526 4.756 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.153 3.540 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.591 4.955 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.643 3.854 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.778 2.570 -11.999 1.00 0.00 H new ATOM 608 N GLY A 40 -14.343 6.985 -10.051 1.00 0.00 N ATOM 609 CA GLY A 40 -14.809 8.311 -9.693 1.00 0.00 C ATOM 610 C GLY A 40 -14.426 8.699 -8.278 1.00 0.00 C ATOM 611 O GLY A 40 -14.770 9.784 -7.813 1.00 0.00 O ATOM 0 H GLY A 40 -13.340 6.914 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.395 9.039 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.893 8.352 -9.797 1.00 0.00 H new ATOM 615 N SER A 41 -13.709 7.812 -7.591 1.00 0.00 N ATOM 616 CA SER A 41 -13.283 8.077 -6.225 1.00 0.00 C ATOM 617 C SER A 41 -12.296 9.235 -6.187 1.00 0.00 C ATOM 618 O SER A 41 -11.932 9.793 -7.224 1.00 0.00 O ATOM 619 CB SER A 41 -12.635 6.828 -5.619 1.00 0.00 C ATOM 620 OG SER A 41 -12.051 7.116 -4.361 1.00 0.00 O ATOM 0 H SER A 41 -13.413 6.908 -7.959 1.00 0.00 H new ATOM 0 HA SER A 41 -14.163 8.344 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.384 6.045 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.873 6.444 -6.298 1.00 0.00 H new ATOM 0 HG SER A 41 -11.788 6.280 -3.923 1.00 0.00 H new ATOM 626 N ALA A 42 -11.854 9.582 -4.984 1.00 0.00 N ATOM 627 CA ALA A 42 -10.891 10.656 -4.805 1.00 0.00 C ATOM 628 C ALA A 42 -9.483 10.085 -4.864 1.00 0.00 C ATOM 629 O ALA A 42 -8.950 9.616 -3.858 1.00 0.00 O ATOM 630 CB ALA A 42 -11.128 11.375 -3.485 1.00 0.00 C ATOM 0 H ALA A 42 -12.150 9.132 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.013 11.385 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.397 12.175 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.133 11.797 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.024 10.668 -2.662 1.00 0.00 H new ATOM 636 N MET A 43 -8.895 10.092 -6.054 1.00 0.00 N ATOM 637 CA MET A 43 -7.563 9.547 -6.241 1.00 0.00 C ATOM 638 C MET A 43 -6.576 10.637 -6.581 1.00 0.00 C ATOM 639 O MET A 43 -6.554 11.143 -7.702 1.00 0.00 O ATOM 640 CB MET A 43 -7.561 8.485 -7.346 1.00 0.00 C ATOM 641 CG MET A 43 -8.527 8.777 -8.480 1.00 0.00 C ATOM 642 SD MET A 43 -8.721 7.380 -9.599 1.00 0.00 S ATOM 643 CE MET A 43 -10.238 6.675 -8.970 1.00 0.00 C ATOM 0 H MET A 43 -9.321 10.469 -6.900 1.00 0.00 H new ATOM 0 HA MET A 43 -7.262 9.082 -5.302 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.553 8.400 -7.753 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.811 7.519 -6.908 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.499 9.043 -8.065 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.172 9.641 -9.041 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.293 5.623 -9.248 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.258 6.765 -7.884 1.00 0.00 H new ATOM 0 HE3 MET A 43 -11.090 7.207 -9.394 1.00 0.00 H new ATOM 653 N THR A 44 -5.752 10.995 -5.608 1.00 0.00 N ATOM 654 CA THR A 44 -4.759 12.021 -5.827 1.00 0.00 C ATOM 655 C THR A 44 -3.888 11.648 -7.019 1.00 0.00 C ATOM 656 O THR A 44 -3.717 10.464 -7.328 1.00 0.00 O ATOM 657 CB THR A 44 -3.900 12.228 -4.581 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.958 11.093 -3.735 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.315 13.432 -3.764 1.00 0.00 C ATOM 0 H THR A 44 -5.755 10.592 -4.671 1.00 0.00 H new ATOM 0 HA THR A 44 -5.271 12.960 -6.038 1.00 0.00 H new ATOM 0 HB THR A 44 -2.888 12.390 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.400 11.246 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.665 13.522 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.232 14.332 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.347 13.310 -3.435 1.00 0.00 H new ATOM 667 N LYS A 45 -3.357 12.661 -7.685 1.00 0.00 N ATOM 668 CA LYS A 45 -2.513 12.450 -8.851 1.00 0.00 C ATOM 669 C LYS A 45 -1.071 12.190 -8.443 1.00 0.00 C ATOM 670 O LYS A 45 -0.323 11.526 -9.160 1.00 0.00 O ATOM 671 CB LYS A 45 -2.584 13.656 -9.774 1.00 0.00 C ATOM 672 CG LYS A 45 -3.761 13.618 -10.735 1.00 0.00 C ATOM 673 CD LYS A 45 -4.489 14.955 -10.781 1.00 0.00 C ATOM 674 CE LYS A 45 -5.514 14.997 -11.903 1.00 0.00 C ATOM 675 NZ LYS A 45 -5.230 16.093 -12.872 1.00 0.00 N ATOM 0 H LYS A 45 -3.496 13.641 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.881 11.571 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.647 14.562 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.659 13.719 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.408 13.360 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.455 12.835 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.986 15.132 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.766 15.759 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.519 14.041 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.510 15.134 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.951 16.089 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.250 17.008 -12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.291 15.949 -13.294 1.00 0.00 H new ATOM 689 N ASP A 46 -0.687 12.718 -7.285 1.00 0.00 N ATOM 690 CA ASP A 46 0.668 12.546 -6.769 1.00 0.00 C ATOM 691 C ASP A 46 1.116 11.091 -6.883 1.00 0.00 C ATOM 692 O ASP A 46 0.322 10.170 -6.689 1.00 0.00 O ATOM 693 CB ASP A 46 0.742 13.004 -5.310 1.00 0.00 C ATOM 694 CG ASP A 46 1.842 14.021 -5.079 1.00 0.00 C ATOM 695 OD1 ASP A 46 2.091 14.841 -5.989 1.00 0.00 O ATOM 696 OD2 ASP A 46 2.454 14.000 -3.990 1.00 0.00 O ATOM 0 H ASP A 46 -1.298 13.271 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 46 1.339 13.160 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.215 13.436 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.910 12.139 -4.668 1.00 0.00 H new ATOM 701 N PHE A 47 2.390 10.893 -7.204 1.00 0.00 N ATOM 702 CA PHE A 47 2.944 9.552 -7.352 1.00 0.00 C ATOM 703 C PHE A 47 3.432 9.003 -6.011 1.00 0.00 C ATOM 704 O PHE A 47 4.113 9.697 -5.256 1.00 0.00 O ATOM 705 CB PHE A 47 4.090 9.571 -8.362 1.00 0.00 C ATOM 706 CG PHE A 47 4.796 8.254 -8.492 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.308 7.278 -9.341 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.935 7.987 -7.750 1.00 0.00 C ATOM 709 CE1 PHE A 47 4.943 6.060 -9.451 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.573 6.768 -7.854 1.00 0.00 C ATOM 711 CZ PHE A 47 6.077 5.803 -8.706 1.00 0.00 C ATOM 0 H PHE A 47 3.059 11.645 -7.367 1.00 0.00 H new ATOM 0 HA PHE A 47 2.154 8.895 -7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.699 9.862 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.811 10.333 -8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.420 7.472 -9.924 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.328 8.741 -7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.554 5.307 -10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.459 6.570 -7.269 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.575 4.848 -8.790 1.00 0.00 H new ATOM 721 N ARG A 48 3.079 7.750 -5.730 1.00 0.00 N ATOM 722 CA ARG A 48 3.479 7.095 -4.485 1.00 0.00 C ATOM 723 C ARG A 48 3.661 5.593 -4.700 1.00 0.00 C ATOM 724 O ARG A 48 2.700 4.877 -4.987 1.00 0.00 O ATOM 725 CB ARG A 48 2.435 7.334 -3.392 1.00 0.00 C ATOM 726 CG ARG A 48 2.366 8.773 -2.906 1.00 0.00 C ATOM 727 CD ARG A 48 1.345 8.928 -1.792 1.00 0.00 C ATOM 728 NE ARG A 48 1.669 8.094 -0.638 1.00 0.00 N ATOM 729 CZ ARG A 48 0.786 7.742 0.294 1.00 0.00 C ATOM 730 NH1 ARG A 48 -0.474 8.153 0.214 1.00 0.00 N ATOM 731 NH2 ARG A 48 1.164 6.978 1.308 1.00 0.00 N ATOM 0 H ARG A 48 2.516 7.167 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 48 4.429 7.525 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.455 7.042 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.656 6.685 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.347 9.087 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.104 9.428 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.299 9.973 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.356 8.662 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 48 2.628 7.762 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.770 8.742 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.146 7.880 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.131 6.660 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.488 6.708 2.023 1.00 0.00 H new ATOM 745 N CYS A 49 4.899 5.126 -4.569 1.00 0.00 N ATOM 746 CA CYS A 49 5.209 3.710 -4.751 1.00 0.00 C ATOM 747 C CYS A 49 4.421 2.839 -3.779 1.00 0.00 C ATOM 748 O CYS A 49 3.928 1.775 -4.147 1.00 0.00 O ATOM 749 CB CYS A 49 6.710 3.464 -4.565 1.00 0.00 C ATOM 750 SG CYS A 49 7.488 2.562 -5.940 1.00 0.00 S ATOM 0 H CYS A 49 5.705 5.707 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 49 4.921 3.437 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.213 4.423 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.864 2.904 -3.643 1.00 0.00 H new ATOM 755 N ASP A 50 4.307 3.290 -2.540 1.00 0.00 N ATOM 756 CA ASP A 50 3.589 2.538 -1.521 1.00 0.00 C ATOM 757 C ASP A 50 2.079 2.712 -1.642 1.00 0.00 C ATOM 758 O ASP A 50 1.326 2.182 -0.825 1.00 0.00 O ATOM 759 CB ASP A 50 4.046 2.989 -0.134 1.00 0.00 C ATOM 760 CG ASP A 50 3.709 4.445 0.131 1.00 0.00 C ATOM 761 OD1 ASP A 50 3.817 5.257 -0.811 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.333 4.769 1.278 1.00 0.00 O ATOM 0 H ASP A 50 4.702 4.172 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 50 3.815 1.482 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.574 2.364 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.122 2.844 -0.042 1.00 0.00 H new ATOM 767 N ARG A 51 1.627 3.450 -2.655 1.00 0.00 N ATOM 768 CA ARG A 51 0.203 3.673 -2.835 1.00 0.00 C ATOM 769 C ARG A 51 -0.250 3.272 -4.227 1.00 0.00 C ATOM 770 O ARG A 51 0.129 3.891 -5.218 1.00 0.00 O ATOM 771 CB ARG A 51 -0.145 5.139 -2.581 1.00 0.00 C ATOM 772 CG ARG A 51 -1.621 5.371 -2.301 1.00 0.00 C ATOM 773 CD ARG A 51 -2.018 6.812 -2.575 1.00 0.00 C ATOM 774 NE ARG A 51 -2.049 7.112 -4.004 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.790 8.312 -4.521 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.479 9.334 -3.732 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.853 8.493 -5.833 1.00 0.00 N ATOM 0 H ARG A 51 2.222 3.897 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.321 3.048 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.439 5.502 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.150 5.730 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.220 4.703 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.839 5.123 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.000 7.005 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.315 7.482 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.284 6.355 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.437 9.204 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.282 10.249 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.099 7.714 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.655 9.411 -6.231 1.00 0.00 H new ATOM 791 N VAL A 52 -1.071 2.234 -4.288 1.00 0.00 N ATOM 792 CA VAL A 52 -1.598 1.751 -5.555 1.00 0.00 C ATOM 793 C VAL A 52 -3.116 1.894 -5.575 1.00 0.00 C ATOM 794 O VAL A 52 -3.808 1.306 -4.744 1.00 0.00 O ATOM 795 CB VAL A 52 -1.217 0.274 -5.800 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.743 -0.201 -7.149 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.292 0.090 -5.712 1.00 0.00 C ATOM 0 H VAL A 52 -1.387 1.709 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.159 2.354 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.681 -0.334 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.464 -1.243 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.829 -0.110 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.313 0.410 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.542 -0.956 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.779 0.710 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.637 0.384 -4.721 1.00 0.00 H new ATOM 807 N TRP A 53 -3.630 2.677 -6.524 1.00 0.00 N ATOM 808 CA TRP A 53 -5.074 2.894 -6.635 1.00 0.00 C ATOM 809 C TRP A 53 -5.726 1.692 -7.310 1.00 0.00 C ATOM 810 O TRP A 53 -5.236 1.198 -8.325 1.00 0.00 O ATOM 811 CB TRP A 53 -5.386 4.155 -7.468 1.00 0.00 C ATOM 812 CG TRP A 53 -5.099 5.488 -6.815 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.599 6.603 -7.432 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.310 5.858 -5.450 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.490 7.638 -6.533 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.912 7.199 -5.306 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.791 5.179 -4.340 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.983 7.870 -4.088 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.863 5.842 -3.129 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.460 7.177 -3.011 1.00 0.00 C ATOM 0 H TRP A 53 -3.073 3.169 -7.223 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.470 3.026 -5.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.815 4.100 -8.395 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.441 4.130 -7.741 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.329 6.662 -8.476 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.151 8.577 -6.745 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.104 4.149 -4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.672 8.900 -3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.236 5.321 -2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.527 7.668 -2.052 1.00 0.00 H new ATOM 831 N VAL A 54 -6.827 1.220 -6.736 1.00 0.00 N ATOM 832 CA VAL A 54 -7.540 0.077 -7.281 1.00 0.00 C ATOM 833 C VAL A 54 -8.973 0.474 -7.635 1.00 0.00 C ATOM 834 O VAL A 54 -9.880 0.350 -6.816 1.00 0.00 O ATOM 835 CB VAL A 54 -7.541 -1.095 -6.275 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.559 -2.162 -6.660 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.150 -1.705 -6.170 1.00 0.00 C ATOM 0 H VAL A 54 -7.243 1.614 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.030 -0.251 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.828 -0.697 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.532 -2.971 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.557 -1.723 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.318 -2.556 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.167 -2.530 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.841 -2.076 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.445 -0.946 -5.830 1.00 0.00 H new ATOM 847 N ILE A 55 -9.158 0.975 -8.853 1.00 0.00 N ATOM 848 CA ILE A 55 -10.471 1.415 -9.311 1.00 0.00 C ATOM 849 C ILE A 55 -11.335 0.247 -9.756 1.00 0.00 C ATOM 850 O ILE A 55 -10.963 -0.524 -10.641 1.00 0.00 O ATOM 851 CB ILE A 55 -10.344 2.427 -10.466 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.333 3.519 -10.108 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.697 3.041 -10.786 1.00 0.00 C ATOM 854 CD1 ILE A 55 -8.452 3.934 -11.264 1.00 0.00 C ATOM 0 H ILE A 55 -8.413 1.086 -9.541 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.954 1.897 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.987 1.900 -11.351 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.871 4.393 -9.740 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.703 3.165 -9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.589 3.753 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.393 2.255 -11.079 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.081 3.556 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.762 4.711 -10.935 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.886 3.072 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.072 4.319 -12.074 1.00 0.00 H new ATOM 866 N VAL A 56 -12.498 0.128 -9.124 1.00 0.00 N ATOM 867 CA VAL A 56 -13.431 -0.939 -9.439 1.00 0.00 C ATOM 868 C VAL A 56 -14.787 -0.382 -9.856 1.00 0.00 C ATOM 869 O VAL A 56 -15.094 0.785 -9.614 1.00 0.00 O ATOM 870 CB VAL A 56 -13.622 -1.898 -8.243 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.289 -2.479 -7.797 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.310 -1.186 -7.085 1.00 0.00 C ATOM 0 H VAL A 56 -12.814 0.761 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.001 -1.495 -10.272 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.260 -2.720 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.449 -3.151 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.839 -3.032 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.622 -1.671 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.434 -1.880 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.701 -0.341 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.287 -0.827 -7.408 1.00 0.00 H new ATOM 882 N ASN A 57 -15.597 -1.231 -10.478 1.00 0.00 N ATOM 883 CA ASN A 57 -16.924 -0.829 -10.923 1.00 0.00 C ATOM 884 C ASN A 57 -17.954 -1.059 -9.823 1.00 0.00 C ATOM 885 O ASN A 57 -17.600 -1.311 -8.671 1.00 0.00 O ATOM 886 CB ASN A 57 -17.315 -1.592 -12.189 1.00 0.00 C ATOM 887 CG ASN A 57 -17.442 -3.084 -11.955 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.287 -3.564 -10.833 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.730 -3.826 -13.019 1.00 0.00 N ATOM 0 H ASN A 57 -15.358 -2.201 -10.685 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.901 0.236 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.262 -1.205 -12.564 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.569 -1.412 -12.963 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.831 -4.837 -12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.850 -3.385 -13.931 1.00 0.00 H new ATOM 896 N ASP A 58 -19.228 -0.961 -10.180 1.00 0.00 N ATOM 897 CA ASP A 58 -20.307 -1.150 -9.217 1.00 0.00 C ATOM 898 C ASP A 58 -20.293 -2.562 -8.636 1.00 0.00 C ATOM 899 O ASP A 58 -20.906 -2.818 -7.598 1.00 0.00 O ATOM 900 CB ASP A 58 -21.660 -0.871 -9.876 1.00 0.00 C ATOM 901 CG ASP A 58 -21.899 -1.740 -11.095 1.00 0.00 C ATOM 902 OD1 ASP A 58 -22.148 -2.952 -10.921 1.00 0.00 O ATOM 903 OD2 ASP A 58 -21.839 -1.209 -12.224 1.00 0.00 O ATOM 0 H ASP A 58 -19.540 -0.752 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.152 -0.445 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.456 -1.040 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.710 0.179 -10.166 1.00 0.00 H new ATOM 908 N HIS A 59 -19.600 -3.480 -9.308 1.00 0.00 N ATOM 909 CA HIS A 59 -19.527 -4.866 -8.853 1.00 0.00 C ATOM 910 C HIS A 59 -18.243 -5.140 -8.069 1.00 0.00 C ATOM 911 O HIS A 59 -17.930 -6.291 -7.768 1.00 0.00 O ATOM 912 CB HIS A 59 -19.611 -5.817 -10.046 1.00 0.00 C ATOM 913 CG HIS A 59 -21.014 -6.171 -10.427 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.645 -5.651 -11.538 1.00 0.00 N ATOM 915 CD2 HIS A 59 -21.912 -6.996 -9.838 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.871 -6.138 -11.613 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.057 -6.958 -10.594 1.00 0.00 N ATOM 0 H HIS A 59 -19.083 -3.289 -10.166 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.372 -5.036 -8.186 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.115 -5.359 -10.902 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.065 -6.731 -9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.756 -7.576 -8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.598 -5.905 -12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.913 -7.478 -10.400 1.00 0.00 H new ATOM 926 N GLY A 60 -17.501 -4.086 -7.740 1.00 0.00 N ATOM 927 CA GLY A 60 -16.265 -4.261 -6.996 1.00 0.00 C ATOM 928 C GLY A 60 -15.178 -4.914 -7.830 1.00 0.00 C ATOM 929 O GLY A 60 -14.237 -5.497 -7.288 1.00 0.00 O ATOM 0 H GLY A 60 -17.731 -3.120 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.916 -3.291 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.458 -4.871 -6.113 1.00 0.00 H new ATOM 933 N VAL A 61 -15.304 -4.806 -9.149 1.00 0.00 N ATOM 934 CA VAL A 61 -14.328 -5.377 -10.067 1.00 0.00 C ATOM 935 C VAL A 61 -13.348 -4.305 -10.522 1.00 0.00 C ATOM 936 O VAL A 61 -13.748 -3.181 -10.801 1.00 0.00 O ATOM 937 CB VAL A 61 -15.021 -5.994 -11.301 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.007 -6.671 -12.209 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.101 -6.976 -10.873 1.00 0.00 C ATOM 0 H VAL A 61 -16.078 -4.325 -9.607 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.791 -6.164 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.494 -5.189 -11.864 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.519 -7.098 -13.071 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.275 -5.938 -12.548 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.499 -7.463 -11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.578 -7.400 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.653 -7.776 -10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.847 -6.457 -10.272 1.00 0.00 H new ATOM 949 N VAL A 62 -12.064 -4.642 -10.579 1.00 0.00 N ATOM 950 CA VAL A 62 -11.051 -3.678 -10.994 1.00 0.00 C ATOM 951 C VAL A 62 -11.086 -3.466 -12.505 1.00 0.00 C ATOM 952 O VAL A 62 -10.846 -4.393 -13.278 1.00 0.00 O ATOM 953 CB VAL A 62 -9.635 -4.120 -10.571 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.597 -3.094 -11.006 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.573 -4.341 -9.066 1.00 0.00 C ATOM 0 H VAL A 62 -11.702 -5.567 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.284 -2.739 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.408 -5.064 -11.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.606 -3.426 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.623 -2.988 -12.090 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.819 -2.133 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.567 -4.652 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.823 -3.413 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.285 -5.116 -8.782 1.00 0.00 H new ATOM 965 N THR A 63 -11.394 -2.240 -12.917 1.00 0.00 N ATOM 966 CA THR A 63 -11.468 -1.906 -14.335 1.00 0.00 C ATOM 967 C THR A 63 -10.158 -1.306 -14.833 1.00 0.00 C ATOM 968 O THR A 63 -9.815 -1.434 -16.008 1.00 0.00 O ATOM 969 CB THR A 63 -12.612 -0.926 -14.592 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.366 0.312 -13.950 1.00 0.00 O ATOM 971 CG2 THR A 63 -13.954 -1.433 -14.113 1.00 0.00 C ATOM 0 H THR A 63 -11.596 -1.462 -12.289 1.00 0.00 H new ATOM 0 HA THR A 63 -11.653 -2.830 -14.882 1.00 0.00 H new ATOM 0 HB THR A 63 -12.652 -0.808 -15.675 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.219 0.750 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.721 -0.689 -14.326 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.197 -2.362 -14.628 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.912 -1.614 -13.039 1.00 0.00 H new ATOM 979 N SER A 64 -9.430 -0.649 -13.937 1.00 0.00 N ATOM 980 CA SER A 64 -8.163 -0.030 -14.299 1.00 0.00 C ATOM 981 C SER A 64 -6.983 -0.866 -13.823 1.00 0.00 C ATOM 982 O SER A 64 -7.056 -1.536 -12.795 1.00 0.00 O ATOM 983 CB SER A 64 -8.069 1.376 -13.706 1.00 0.00 C ATOM 984 OG SER A 64 -9.201 2.154 -14.052 1.00 0.00 O ATOM 0 H SER A 64 -9.695 -0.532 -12.959 1.00 0.00 H new ATOM 0 HA SER A 64 -8.124 0.033 -15.387 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.987 1.311 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.164 1.866 -14.066 1.00 0.00 H new ATOM 0 HG SER A 64 -8.989 3.105 -13.947 1.00 0.00 H new ATOM 990 N VAL A 65 -5.891 -0.805 -14.578 1.00 0.00 N ATOM 991 CA VAL A 65 -4.679 -1.542 -14.246 1.00 0.00 C ATOM 992 C VAL A 65 -4.076 -1.057 -12.931 1.00 0.00 C ATOM 993 O VAL A 65 -3.489 0.023 -12.876 1.00 0.00 O ATOM 994 CB VAL A 65 -3.625 -1.386 -15.349 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.435 -2.295 -15.085 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.225 -1.664 -16.720 1.00 0.00 C ATOM 0 H VAL A 65 -5.822 -0.248 -15.430 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.963 -2.590 -14.149 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.275 -0.354 -15.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.698 -2.170 -15.879 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.984 -2.035 -14.127 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.768 -3.333 -15.060 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.457 -1.546 -17.484 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.612 -2.683 -16.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.037 -0.962 -16.911 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.192 -1.850 -11.851 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.632 -1.476 -10.552 1.00 0.00 C ATOM 1008 C PRO A 66 -2.125 -1.268 -10.626 1.00 0.00 C ATOM 1009 O PRO A 66 -1.356 -2.223 -10.604 1.00 0.00 O ATOM 1010 CB PRO A 66 -3.964 -2.663 -9.641 1.00 0.00 C ATOM 1011 CG PRO A 66 -5.033 -3.428 -10.345 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.853 -3.165 -11.815 1.00 0.00 C ATOM 0 HA PRO A 66 -4.044 -0.533 -10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.085 -3.285 -9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.306 -2.322 -8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.953 -4.493 -10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.021 -3.109 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.243 -3.934 -12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.808 -3.148 -12.340 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.711 -0.011 -10.726 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.299 0.332 -10.805 1.00 0.00 C ATOM 1021 C HIS A 67 0.088 1.315 -9.704 1.00 0.00 C ATOM 1022 O HIS A 67 -0.751 2.042 -9.172 1.00 0.00 O ATOM 1023 CB HIS A 67 0.031 0.930 -12.175 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.714 2.194 -12.480 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.517 2.921 -13.637 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.660 2.862 -11.778 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.309 3.979 -13.631 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -2.012 3.965 -12.514 1.00 0.00 N ATOM 0 H HIS A 67 -2.339 0.792 -10.754 1.00 0.00 H new ATOM 0 HA HIS A 67 0.275 -0.584 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.101 1.129 -12.225 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.193 0.193 -12.946 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.063 2.579 -10.817 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.370 4.727 -14.407 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.705 4.662 -12.242 1.00 0.00 H new ATOM 1037 N ILE A 68 1.370 1.324 -9.378 1.00 0.00 N ATOM 1038 CA ILE A 68 1.920 2.202 -8.360 1.00 0.00 C ATOM 1039 C ILE A 68 1.583 3.662 -8.668 1.00 0.00 C ATOM 1040 O ILE A 68 2.027 4.215 -9.674 1.00 0.00 O ATOM 1041 CB ILE A 68 3.453 1.985 -8.273 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.790 1.103 -7.073 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.218 3.298 -8.204 1.00 0.00 C ATOM 1044 CD1 ILE A 68 4.884 0.097 -7.348 1.00 0.00 C ATOM 0 H ILE A 68 2.063 0.717 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 68 1.475 1.962 -7.394 1.00 0.00 H new ATOM 0 HB ILE A 68 3.766 1.483 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.093 1.738 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.891 0.573 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.287 3.094 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.011 3.887 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.905 3.855 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.069 -0.494 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.576 -0.563 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.797 0.621 -7.632 1.00 0.00 H new ATOM 1056 N THR A 69 0.778 4.273 -7.802 1.00 0.00 N ATOM 1057 CA THR A 69 0.369 5.663 -7.984 1.00 0.00 C ATOM 1058 C THR A 69 -0.172 6.247 -6.680 1.00 0.00 C ATOM 1059 O THR A 69 0.541 7.059 -6.056 1.00 0.00 O ATOM 1060 CB THR A 69 -0.691 5.756 -9.086 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.117 5.505 -10.355 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.386 7.101 -9.154 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.307 5.891 -6.297 1.00 0.00 O ATOM 0 H THR A 69 0.396 3.827 -6.968 1.00 0.00 H new ATOM 0 HA THR A 69 1.243 6.244 -8.279 1.00 0.00 H new ATOM 0 HB THR A 69 -1.434 5.001 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.849 5.374 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.122 7.090 -9.958 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.886 7.300 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.650 7.882 -9.347 1.00 0.00 H new TER 1071 THR A 69