USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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 92 ASN : amide:sc= -4.98 K(o=-6.4,f=-18!) USER MOD Set 1.2: A 94 SER OG : rot 140:sc= -1.44 USER MOD Set 2.1: A 8 SER OG : rot 125:sc= -1.22! USER MOD Set 2.2: A 23 CYS SG : rot 60:sc= -0.584 USER MOD Single : A 3 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 5 HIS : no HE2:sc= -3.37! X(o=-3.4!,f=-3.2) USER MOD Single : A 7 SER OG : rot 180:sc= -0.314 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.58 F(o=-4!,f=-1.6) USER MOD Single : A 10 ASN :FLIP amide:sc= -6.01! C(o=-8.2!,f=-6!) USER MOD Single : A 17 HIS : no HE2:sc= -6.72! C(o=-6.7!,f=-9.9!) USER MOD Single : A 20 HIS : no HE2:sc= -7.77! C(o=-7.8!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -2.44 K(o=-2.4,f=-4.3!) USER MOD Single : A 33 SER OG : rot 131:sc= 0.126 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 83:sc= 0.772 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.42! C(o=-5.4!,f=-6.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.502 F(o=-1.6,f=-0.5) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.036) USER MOD Single : A 80 ASN : amide:sc= -0.789 X(o=-0.79,f=-1.3) USER MOD Single : A 82 MET CE :methyl -170:sc= 0 (180deg=-0.157) USER MOD Single : A 90 ASN : amide:sc= -0.905 X(o=-0.9,f=-0.47) USER MOD Single : A 99 ASN : amide:sc= -0.919 K(o=-0.92,f=-3.6!) USER MOD Single : A 101 CYS SG : rot -50:sc= -0.258 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.623 -8.598 -4.158 1.00 0.00 N ATOM 21 CA GLY A 2 -5.211 -7.290 -3.933 1.00 0.00 C ATOM 22 C GLY A 2 -5.756 -6.675 -5.200 1.00 0.00 C ATOM 23 O GLY A 2 -5.321 -5.605 -5.627 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.014 -7.377 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.460 -6.626 -3.505 1.00 0.00 H new ATOM 27 N ASN A 3 -6.729 -7.353 -5.784 1.00 0.00 N ATOM 28 CA ASN A 3 -7.382 -6.894 -6.997 1.00 0.00 C ATOM 29 C ASN A 3 -8.037 -5.534 -6.780 1.00 0.00 C ATOM 30 O ASN A 3 -8.421 -4.865 -7.738 1.00 0.00 O ATOM 31 CB ASN A 3 -8.425 -7.910 -7.457 1.00 0.00 C ATOM 32 CG ASN A 3 -7.839 -8.965 -8.374 1.00 0.00 C ATOM 33 OD1 ASN A 3 -6.632 -8.998 -8.611 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.695 -9.835 -8.898 1.00 0.00 N ATOM 0 H ASN A 3 -7.089 -8.239 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.623 -6.791 -7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.866 -8.394 -6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.231 -7.390 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.359 -10.567 -9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.688 -9.771 -8.674 1.00 0.00 H new ATOM 41 N PHE A 4 -8.195 -5.142 -5.515 1.00 0.00 N ATOM 42 CA PHE A 4 -8.839 -3.877 -5.184 1.00 0.00 C ATOM 43 C PHE A 4 -8.314 -2.741 -6.060 1.00 0.00 C ATOM 44 O PHE A 4 -9.053 -1.822 -6.404 1.00 0.00 O ATOM 45 CB PHE A 4 -8.619 -3.541 -3.702 1.00 0.00 C ATOM 46 CG PHE A 4 -7.420 -2.667 -3.444 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.138 -3.138 -3.680 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.577 -1.373 -2.972 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.036 -2.336 -3.450 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.479 -0.566 -2.741 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.207 -1.049 -2.980 1.00 0.00 C ATOM 0 H PHE A 4 -7.886 -5.683 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.907 -3.986 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.509 -3.043 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.506 -4.469 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.998 -4.144 -4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.569 -0.991 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.042 -2.716 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.615 0.441 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.347 -0.421 -2.799 1.00 0.00 H new ATOM 61 N HIS A 5 -7.040 -2.815 -6.424 1.00 0.00 N ATOM 62 CA HIS A 5 -6.436 -1.792 -7.264 1.00 0.00 C ATOM 63 C HIS A 5 -7.133 -1.728 -8.620 1.00 0.00 C ATOM 64 O HIS A 5 -7.288 -0.654 -9.201 1.00 0.00 O ATOM 65 CB HIS A 5 -4.939 -2.070 -7.443 1.00 0.00 C ATOM 66 CG HIS A 5 -4.609 -2.929 -8.628 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.155 -2.416 -9.824 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.675 -4.272 -8.798 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.957 -3.403 -10.679 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.264 -4.540 -10.081 1.00 0.00 N ATOM 0 H HIS A 5 -6.409 -3.569 -6.152 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.556 -0.826 -6.773 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.414 -1.120 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.561 -2.553 -6.542 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -3.997 -1.427 -10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.992 -4.996 -8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.604 -3.298 -11.694 1.00 0.00 H new ATOM 79 N GLU A 6 -7.548 -2.888 -9.118 1.00 0.00 N ATOM 80 CA GLU A 6 -8.225 -2.966 -10.405 1.00 0.00 C ATOM 81 C GLU A 6 -9.705 -2.612 -10.274 1.00 0.00 C ATOM 82 O GLU A 6 -10.348 -2.222 -11.249 1.00 0.00 O ATOM 83 CB GLU A 6 -8.060 -4.367 -11.004 1.00 0.00 C ATOM 84 CG GLU A 6 -8.936 -5.430 -10.354 1.00 0.00 C ATOM 85 CD GLU A 6 -9.796 -6.172 -11.359 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.397 -6.247 -12.540 1.00 0.00 O ATOM 87 OE2 GLU A 6 -10.868 -6.677 -10.965 1.00 0.00 O ATOM 0 H GLU A 6 -7.427 -3.786 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.766 -2.238 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.289 -4.324 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.016 -4.668 -10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.303 -6.144 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.578 -4.960 -9.609 1.00 0.00 H new ATOM 94 N SER A 7 -10.242 -2.753 -9.064 1.00 0.00 N ATOM 95 CA SER A 7 -11.646 -2.449 -8.813 1.00 0.00 C ATOM 96 C SER A 7 -11.802 -1.203 -7.942 1.00 0.00 C ATOM 97 O SER A 7 -12.883 -0.940 -7.416 1.00 0.00 O ATOM 98 CB SER A 7 -12.331 -3.640 -8.142 1.00 0.00 C ATOM 99 OG SER A 7 -11.632 -4.845 -8.403 1.00 0.00 O ATOM 0 H SER A 7 -9.726 -3.075 -8.245 1.00 0.00 H new ATOM 0 HA SER A 7 -12.120 -2.251 -9.774 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.385 -3.473 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.356 -3.725 -8.504 1.00 0.00 H new ATOM 0 HG SER A 7 -12.090 -5.591 -7.962 1.00 0.00 H new ATOM 105 N SER A 8 -10.724 -0.437 -7.793 1.00 0.00 N ATOM 106 CA SER A 8 -10.762 0.778 -6.986 1.00 0.00 C ATOM 107 C SER A 8 -10.334 1.987 -7.806 1.00 0.00 C ATOM 108 O SER A 8 -9.629 1.854 -8.807 1.00 0.00 O ATOM 109 CB SER A 8 -9.856 0.641 -5.762 1.00 0.00 C ATOM 110 OG SER A 8 -9.980 1.765 -4.908 1.00 0.00 O ATOM 0 H SER A 8 -9.818 -0.635 -8.218 1.00 0.00 H new ATOM 0 HA SER A 8 -11.790 0.924 -6.653 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.113 -0.266 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.819 0.536 -6.083 1.00 0.00 H new ATOM 0 HG SER A 8 -10.210 1.465 -4.004 1.00 0.00 H new ATOM 116 N ASN A 9 -10.759 3.168 -7.373 1.00 0.00 N ATOM 117 CA ASN A 9 -10.418 4.402 -8.059 1.00 0.00 C ATOM 118 C ASN A 9 -9.705 5.358 -7.108 1.00 0.00 C ATOM 119 O ASN A 9 -9.796 5.219 -5.888 1.00 0.00 O ATOM 120 CB ASN A 9 -11.676 5.051 -8.634 1.00 0.00 C ATOM 121 CG ASN A 9 -11.410 6.421 -9.220 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.473 7.439 -8.375 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -11.150 6.561 -10.415 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.343 3.294 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.742 4.171 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.093 4.405 -9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.428 5.136 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.113 5.746 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.972 7.492 -10.793 1.00 0.00 H new ATOM 130 N ASN A 10 -8.987 6.316 -7.677 1.00 0.00 N ATOM 131 CA ASN A 10 -8.242 7.294 -6.890 1.00 0.00 C ATOM 132 C ASN A 10 -7.247 6.592 -5.959 1.00 0.00 C ATOM 133 O ASN A 10 -7.279 6.751 -4.744 1.00 0.00 O ATOM 134 CB ASN A 10 -9.217 8.227 -6.132 1.00 0.00 C ATOM 135 CG ASN A 10 -9.425 7.894 -4.664 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.480 7.146 -4.373 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.660 8.326 -3.801 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.903 6.439 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.654 7.923 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.847 9.250 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.184 8.200 -6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.860 8.898 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.827 8.111 -2.818 1.00 0.00 H new ATOM 144 N ILE A 11 -6.351 5.808 -6.552 1.00 0.00 N ATOM 145 CA ILE A 11 -5.343 5.085 -5.783 1.00 0.00 C ATOM 146 C ILE A 11 -4.053 5.894 -5.689 1.00 0.00 C ATOM 147 O ILE A 11 -3.409 6.172 -6.701 1.00 0.00 O ATOM 148 CB ILE A 11 -5.024 3.700 -6.397 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.169 3.216 -7.292 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.749 2.684 -5.297 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.508 3.165 -6.589 1.00 0.00 C ATOM 0 H ILE A 11 -6.302 5.657 -7.560 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.760 4.934 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.132 3.802 -7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.247 3.875 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.928 2.222 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.526 1.715 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.897 3.014 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.626 2.595 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.271 2.814 -7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.448 2.483 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.771 4.162 -6.235 1.00 0.00 H new ATOM 163 N TRP A 12 -3.682 6.273 -4.470 1.00 0.00 N ATOM 164 CA TRP A 12 -2.469 7.054 -4.249 1.00 0.00 C ATOM 165 C TRP A 12 -2.032 6.979 -2.790 1.00 0.00 C ATOM 166 O TRP A 12 -2.623 6.253 -1.991 1.00 0.00 O ATOM 167 CB TRP A 12 -2.697 8.514 -4.649 1.00 0.00 C ATOM 168 CG TRP A 12 -3.793 9.178 -3.872 1.00 0.00 C ATOM 169 CD1 TRP A 12 -5.119 8.858 -3.893 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.657 10.275 -2.962 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.818 9.688 -3.050 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.943 10.567 -2.467 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.575 11.038 -2.516 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -5.173 11.589 -1.550 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.805 12.053 -1.605 1.00 0.00 C ATOM 176 CH2 TRP A 12 -4.095 12.320 -1.130 1.00 0.00 C ATOM 0 H TRP A 12 -4.203 6.053 -3.621 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.678 6.633 -4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.771 9.071 -4.506 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.936 8.559 -5.712 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.556 8.068 -4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.824 9.655 -2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.577 10.839 -2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.167 11.798 -1.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.976 12.650 -1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.242 13.119 -0.418 1.00 0.00 H new ATOM 187 N LEU A 13 -0.992 7.733 -2.449 1.00 0.00 N ATOM 188 CA LEU A 13 -0.477 7.750 -1.085 1.00 0.00 C ATOM 189 C LEU A 13 -0.235 9.178 -0.610 1.00 0.00 C ATOM 190 O LEU A 13 0.200 10.035 -1.379 1.00 0.00 O ATOM 191 CB LEU A 13 0.822 6.945 -0.999 1.00 0.00 C ATOM 192 CG LEU A 13 1.011 6.162 0.302 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.161 5.220 0.535 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.323 5.392 0.273 1.00 0.00 C ATOM 0 H LEU A 13 -0.490 8.339 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.225 7.294 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.855 6.246 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.664 7.627 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 13 1.047 6.871 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.008 4.672 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.084 5.797 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.232 4.516 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.442 4.841 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.316 4.693 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.152 6.090 0.156 1.00 0.00 H new ATOM 206 N GLU A 14 -0.520 9.427 0.665 1.00 0.00 N ATOM 207 CA GLU A 14 -0.332 10.750 1.247 1.00 0.00 C ATOM 208 C GLU A 14 0.763 10.720 2.308 1.00 0.00 C ATOM 209 O GLU A 14 0.663 9.996 3.298 1.00 0.00 O ATOM 210 CB GLU A 14 -1.643 11.255 1.856 1.00 0.00 C ATOM 211 CG GLU A 14 -1.494 12.545 2.647 1.00 0.00 C ATOM 212 CD GLU A 14 -2.780 12.959 3.337 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.302 12.162 4.144 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.263 14.079 3.070 1.00 0.00 O ATOM 0 H GLU A 14 -0.882 8.729 1.314 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.027 11.433 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.368 11.411 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.050 10.484 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.710 12.420 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.173 13.342 1.977 1.00 0.00 H new ATOM 221 N ASP A 15 1.808 11.509 2.090 1.00 0.00 N ATOM 222 CA ASP A 15 2.929 11.575 3.022 1.00 0.00 C ATOM 223 C ASP A 15 3.602 10.211 3.171 1.00 0.00 C ATOM 224 O ASP A 15 4.344 9.977 4.125 1.00 0.00 O ATOM 225 CB ASP A 15 2.455 12.081 4.387 1.00 0.00 C ATOM 226 CG ASP A 15 3.105 13.395 4.774 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.295 13.380 5.153 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.424 14.440 4.697 1.00 0.00 O ATOM 0 H ASP A 15 1.903 12.114 1.274 1.00 0.00 H new ATOM 0 HA ASP A 15 3.662 12.274 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.372 12.206 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.677 11.331 5.146 1.00 0.00 H new ATOM 233 N GLY A 16 3.345 9.317 2.219 1.00 0.00 N ATOM 234 CA GLY A 16 3.940 7.994 2.260 1.00 0.00 C ATOM 235 C GLY A 16 3.558 7.207 3.499 1.00 0.00 C ATOM 236 O GLY A 16 4.428 6.744 4.237 1.00 0.00 O ATOM 0 H GLY A 16 2.735 9.487 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.634 7.437 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.025 8.089 2.217 1.00 0.00 H new ATOM 240 N HIS A 17 2.258 7.042 3.724 1.00 0.00 N ATOM 241 CA HIS A 17 1.777 6.290 4.880 1.00 0.00 C ATOM 242 C HIS A 17 0.256 6.144 4.862 1.00 0.00 C ATOM 243 O HIS A 17 -0.283 5.148 5.345 1.00 0.00 O ATOM 244 CB HIS A 17 2.239 6.950 6.184 1.00 0.00 C ATOM 245 CG HIS A 17 1.520 8.219 6.524 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.426 9.290 5.660 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.867 8.589 7.652 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.748 10.264 6.242 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.398 9.864 7.451 1.00 0.00 N ATOM 0 H HIS A 17 1.522 7.416 3.125 1.00 0.00 H new ATOM 0 HA HIS A 17 2.206 5.290 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.107 6.242 7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.306 7.159 6.113 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.818 9.325 4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.739 7.992 8.543 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.519 11.224 5.803 1.00 0.00 H new ATOM 258 N ILE A 18 -0.434 7.134 4.302 1.00 0.00 N ATOM 259 CA ILE A 18 -1.891 7.098 4.227 1.00 0.00 C ATOM 260 C ILE A 18 -2.359 6.691 2.831 1.00 0.00 C ATOM 261 O ILE A 18 -1.917 7.250 1.828 1.00 0.00 O ATOM 262 CB ILE A 18 -2.508 8.465 4.597 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.212 8.796 6.061 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.010 8.471 4.340 1.00 0.00 C ATOM 265 CD1 ILE A 18 -2.951 7.916 7.047 1.00 0.00 C ATOM 0 H ILE A 18 -0.010 7.968 3.895 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.230 6.354 4.948 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.056 9.230 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.140 8.701 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.475 9.837 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.421 9.444 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.199 8.276 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.485 7.698 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.691 8.210 8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.025 8.028 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.670 6.875 6.887 1.00 0.00 H new ATOM 277 N LEU A 19 -3.259 5.713 2.780 1.00 0.00 N ATOM 278 CA LEU A 19 -3.793 5.226 1.513 1.00 0.00 C ATOM 279 C LEU A 19 -5.247 5.650 1.338 1.00 0.00 C ATOM 280 O LEU A 19 -6.039 5.582 2.276 1.00 0.00 O ATOM 281 CB LEU A 19 -3.689 3.699 1.447 1.00 0.00 C ATOM 282 CG LEU A 19 -4.069 3.071 0.103 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.580 3.057 -0.074 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.403 3.813 -1.047 1.00 0.00 C ATOM 0 H LEU A 19 -3.634 5.242 3.603 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.203 5.662 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.665 3.411 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.329 3.275 2.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.713 2.041 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.830 2.607 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.035 2.476 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.960 4.078 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.687 3.350 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.724 4.855 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.320 3.767 -0.931 1.00 0.00 H new ATOM 296 N HIS A 20 -5.593 6.081 0.129 1.00 0.00 N ATOM 297 CA HIS A 20 -6.957 6.508 -0.167 1.00 0.00 C ATOM 298 C HIS A 20 -7.406 5.972 -1.522 1.00 0.00 C ATOM 299 O HIS A 20 -6.689 6.089 -2.514 1.00 0.00 O ATOM 300 CB HIS A 20 -7.078 8.037 -0.149 1.00 0.00 C ATOM 301 CG HIS A 20 -5.869 8.742 0.386 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.660 8.766 -0.274 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.689 9.454 1.523 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.788 9.460 0.434 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.387 9.889 1.529 1.00 0.00 N ATOM 0 H HIS A 20 -4.950 6.144 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.604 6.101 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.270 8.387 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.943 8.315 0.453 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.468 8.318 -1.170 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.431 9.644 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.759 9.645 0.163 1.00 0.00 H new ATOM 314 N ALA A 21 -8.595 5.383 -1.551 1.00 0.00 N ATOM 315 CA ALA A 21 -9.151 4.827 -2.779 1.00 0.00 C ATOM 316 C ALA A 21 -10.622 4.479 -2.593 1.00 0.00 C ATOM 317 O ALA A 21 -11.039 4.080 -1.505 1.00 0.00 O ATOM 318 CB ALA A 21 -8.368 3.593 -3.204 1.00 0.00 C ATOM 0 H ALA A 21 -9.196 5.278 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.071 5.580 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.795 3.189 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.327 3.865 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.421 2.840 -2.418 1.00 0.00 H new ATOM 324 N GLU A 22 -11.408 4.625 -3.654 1.00 0.00 N ATOM 325 CA GLU A 22 -12.831 4.314 -3.586 1.00 0.00 C ATOM 326 C GLU A 22 -13.136 3.010 -4.313 1.00 0.00 C ATOM 327 O GLU A 22 -13.087 2.944 -5.541 1.00 0.00 O ATOM 328 CB GLU A 22 -13.663 5.458 -4.172 1.00 0.00 C ATOM 329 CG GLU A 22 -13.382 5.736 -5.638 1.00 0.00 C ATOM 330 CD GLU A 22 -13.705 7.165 -6.030 1.00 0.00 C ATOM 331 OE1 GLU A 22 -13.156 8.092 -5.397 1.00 0.00 O ATOM 332 OE2 GLU A 22 -14.505 7.357 -6.969 1.00 0.00 O ATOM 0 H GLU A 22 -11.087 4.954 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.100 4.193 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.721 5.223 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.472 6.364 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.332 5.533 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.968 5.053 -6.253 1.00 0.00 H new ATOM 339 N CYS A 23 -13.444 1.972 -3.542 1.00 0.00 N ATOM 340 CA CYS A 23 -13.752 0.661 -4.105 1.00 0.00 C ATOM 341 C CYS A 23 -15.247 0.374 -4.026 1.00 0.00 C ATOM 342 O CYS A 23 -15.941 0.877 -3.142 1.00 0.00 O ATOM 343 CB CYS A 23 -12.976 -0.436 -3.369 1.00 0.00 C ATOM 344 SG CYS A 23 -11.313 0.045 -2.844 1.00 0.00 S ATOM 0 H CYS A 23 -13.487 2.013 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.452 0.668 -5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.546 -0.741 -2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.900 -1.308 -4.019 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.390 1.061 -2.037 1.00 0.00 H new ATOM 350 N GLY A 24 -15.737 -0.443 -4.953 1.00 0.00 N ATOM 351 CA GLY A 24 -17.147 -0.788 -4.967 1.00 0.00 C ATOM 352 C GLY A 24 -17.459 -1.978 -4.080 1.00 0.00 C ATOM 353 O GLY A 24 -16.550 -2.647 -3.589 1.00 0.00 O ATOM 0 H GLY A 24 -15.183 -0.872 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.732 0.071 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.454 -1.010 -5.989 1.00 0.00 H new ATOM 357 N ASN A 25 -18.745 -2.244 -3.872 1.00 0.00 N ATOM 358 CA ASN A 25 -19.164 -3.365 -3.035 1.00 0.00 C ATOM 359 C ASN A 25 -19.829 -4.450 -3.878 1.00 0.00 C ATOM 360 O ASN A 25 -19.643 -5.642 -3.634 1.00 0.00 O ATOM 361 CB ASN A 25 -20.122 -2.902 -1.926 1.00 0.00 C ATOM 362 CG ASN A 25 -20.565 -1.459 -2.085 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.176 -0.588 -1.308 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.384 -1.202 -3.097 1.00 0.00 N ATOM 0 H ASN A 25 -19.512 -1.702 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.271 -3.779 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.001 -3.547 -1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.633 -3.021 -0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.716 -0.251 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.681 -1.956 -3.717 1.00 0.00 H new ATOM 433 N VAL A 31 -17.339 3.172 -3.010 1.00 0.00 N ATOM 434 CA VAL A 31 -17.203 3.669 -1.644 1.00 0.00 C ATOM 435 C VAL A 31 -15.777 4.129 -1.355 1.00 0.00 C ATOM 436 O VAL A 31 -14.833 3.343 -1.432 1.00 0.00 O ATOM 437 CB VAL A 31 -17.596 2.593 -0.612 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.835 3.225 0.751 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.825 1.824 -1.074 1.00 0.00 C ATOM 0 HA VAL A 31 -17.880 4.519 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.771 1.886 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.111 2.451 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.925 3.722 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.641 3.956 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.084 1.070 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.660 2.513 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.613 1.337 -2.026 1.00 0.00 H new ATOM 449 N GLU A 32 -15.630 5.406 -1.016 1.00 0.00 N ATOM 450 CA GLU A 32 -14.329 5.975 -0.708 1.00 0.00 C ATOM 451 C GLU A 32 -13.767 5.386 0.583 1.00 0.00 C ATOM 452 O GLU A 32 -14.357 5.537 1.653 1.00 0.00 O ATOM 453 CB GLU A 32 -14.445 7.492 -0.582 1.00 0.00 C ATOM 454 CG GLU A 32 -13.164 8.222 -0.927 1.00 0.00 C ATOM 455 CD GLU A 32 -13.354 9.722 -1.027 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.473 10.378 0.029 1.00 0.00 O ATOM 457 OE2 GLU A 32 -13.383 10.242 -2.163 1.00 0.00 O ATOM 0 H GLU A 32 -16.403 6.068 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.645 5.730 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.243 7.844 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.735 7.744 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.412 8.005 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.780 7.845 -1.875 1.00 0.00 H new ATOM 464 N SER A 33 -12.624 4.716 0.475 1.00 0.00 N ATOM 465 CA SER A 33 -11.985 4.106 1.636 1.00 0.00 C ATOM 466 C SER A 33 -10.512 4.495 1.716 1.00 0.00 C ATOM 467 O SER A 33 -9.922 4.936 0.730 1.00 0.00 O ATOM 468 CB SER A 33 -12.121 2.585 1.577 1.00 0.00 C ATOM 469 OG SER A 33 -13.481 2.198 1.485 1.00 0.00 O ATOM 0 H SER A 33 -12.122 4.582 -0.403 1.00 0.00 H new ATOM 0 HA SER A 33 -12.487 4.475 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.571 2.201 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.673 2.142 2.466 1.00 0.00 H new ATOM 0 HG SER A 33 -13.589 1.551 0.757 1.00 0.00 H new ATOM 475 N THR A 34 -9.926 4.328 2.897 1.00 0.00 N ATOM 476 CA THR A 34 -8.522 4.661 3.110 1.00 0.00 C ATOM 477 C THR A 34 -7.850 3.628 4.009 1.00 0.00 C ATOM 478 O THR A 34 -8.476 3.082 4.918 1.00 0.00 O ATOM 479 CB THR A 34 -8.399 6.054 3.729 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.102 6.120 4.957 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.929 7.156 2.837 1.00 0.00 C ATOM 0 H THR A 34 -10.402 3.964 3.722 1.00 0.00 H new ATOM 0 HA THR A 34 -8.019 4.655 2.143 1.00 0.00 H new ATOM 0 HB THR A 34 -7.330 6.211 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.010 7.018 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.811 8.117 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.373 7.164 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.985 6.981 2.631 1.00 0.00 H new ATOM 489 N LEU A 35 -6.573 3.363 3.749 1.00 0.00 N ATOM 490 CA LEU A 35 -5.819 2.393 4.535 1.00 0.00 C ATOM 491 C LEU A 35 -4.520 2.999 5.057 1.00 0.00 C ATOM 492 O LEU A 35 -3.830 3.727 4.342 1.00 0.00 O ATOM 493 CB LEU A 35 -5.510 1.153 3.694 1.00 0.00 C ATOM 494 CG LEU A 35 -4.972 -0.046 4.482 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.001 -1.165 4.526 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.668 -0.544 3.875 1.00 0.00 C ATOM 0 H LEU A 35 -6.040 3.806 3.001 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.433 2.105 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.419 0.849 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.781 1.423 2.930 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.774 0.278 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.599 -2.007 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.909 -0.805 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.233 -1.486 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.302 -1.396 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.840 -0.849 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.927 0.255 3.899 1.00 0.00 H new ATOM 508 N ASP A 36 -4.190 2.688 6.306 1.00 0.00 N ATOM 509 CA ASP A 36 -2.972 3.192 6.926 1.00 0.00 C ATOM 510 C ASP A 36 -1.882 2.129 6.906 1.00 0.00 C ATOM 511 O ASP A 36 -2.065 1.027 7.414 1.00 0.00 O ATOM 512 CB ASP A 36 -3.250 3.631 8.365 1.00 0.00 C ATOM 513 CG ASP A 36 -2.028 4.228 9.034 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.080 3.469 9.326 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.019 5.455 9.267 1.00 0.00 O ATOM 0 H ASP A 36 -4.752 2.087 6.910 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.628 4.054 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.057 4.364 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.595 2.774 8.943 1.00 0.00 H new ATOM 520 N LEU A 37 -0.752 2.462 6.305 1.00 0.00 N ATOM 521 CA LEU A 37 0.371 1.537 6.221 1.00 0.00 C ATOM 522 C LEU A 37 1.272 1.671 7.434 1.00 0.00 C ATOM 523 O LEU A 37 1.930 0.715 7.844 1.00 0.00 O ATOM 524 CB LEU A 37 1.169 1.783 4.955 1.00 0.00 C ATOM 525 CG LEU A 37 0.338 2.240 3.766 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.075 3.319 3.009 1.00 0.00 C ATOM 527 CD2 LEU A 37 0.004 1.056 2.877 1.00 0.00 C ATOM 0 H LEU A 37 -0.586 3.368 5.866 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.029 0.523 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.931 2.535 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.692 0.865 4.686 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.603 2.663 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.474 3.642 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.256 4.168 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.028 2.927 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.591 1.394 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.926 0.601 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.563 0.321 3.448 1.00 0.00 H new ATOM 539 N ASP A 38 1.291 2.870 8.011 1.00 0.00 N ATOM 540 CA ASP A 38 2.107 3.136 9.187 1.00 0.00 C ATOM 541 C ASP A 38 1.750 2.179 10.318 1.00 0.00 C ATOM 542 O ASP A 38 2.473 2.078 11.309 1.00 0.00 O ATOM 543 CB ASP A 38 1.920 4.583 9.647 1.00 0.00 C ATOM 544 CG ASP A 38 2.841 4.949 10.795 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.071 4.992 10.579 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.333 5.193 11.909 1.00 0.00 O ATOM 0 H ASP A 38 0.751 3.670 7.682 1.00 0.00 H new ATOM 0 HA ASP A 38 3.152 2.982 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.105 5.255 8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.885 4.733 9.953 1.00 0.00 H new ATOM 551 N TYR A 39 0.632 1.475 10.162 1.00 0.00 N ATOM 552 CA TYR A 39 0.192 0.524 11.178 1.00 0.00 C ATOM 553 C TYR A 39 -0.104 -0.852 10.571 1.00 0.00 C ATOM 554 O TYR A 39 -0.522 -1.770 11.277 1.00 0.00 O ATOM 555 CB TYR A 39 -1.034 1.074 11.921 1.00 0.00 C ATOM 556 CG TYR A 39 -2.365 0.651 11.340 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.600 0.724 9.976 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.385 0.182 12.158 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.814 0.341 9.439 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.603 -0.203 11.630 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.812 -0.121 10.270 1.00 0.00 C ATOM 562 OH TYR A 39 -6.023 -0.503 9.740 1.00 0.00 O ATOM 0 H TYR A 39 0.019 1.544 9.349 1.00 0.00 H new ATOM 0 HA TYR A 39 1.004 0.392 11.893 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.987 0.751 12.961 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.983 2.163 11.923 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.821 1.086 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.224 0.117 13.224 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.980 0.403 8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.386 -0.566 12.279 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.961 -1.425 9.414 1.00 0.00 H new ATOM 572 N TYR A 40 0.120 -0.993 9.265 1.00 0.00 N ATOM 573 CA TYR A 40 -0.120 -2.260 8.580 1.00 0.00 C ATOM 574 C TYR A 40 1.174 -2.819 7.989 1.00 0.00 C ATOM 575 O TYR A 40 1.323 -4.032 7.840 1.00 0.00 O ATOM 576 CB TYR A 40 -1.164 -2.080 7.476 1.00 0.00 C ATOM 577 CG TYR A 40 -2.537 -2.599 7.845 1.00 0.00 C ATOM 578 CD1 TYR A 40 -3.005 -2.522 9.152 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.366 -3.165 6.885 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.258 -2.995 9.490 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.621 -3.640 7.215 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.062 -3.553 8.519 1.00 0.00 C ATOM 583 OH TYR A 40 -6.311 -4.025 8.852 1.00 0.00 O ATOM 0 H TYR A 40 0.467 -0.247 8.662 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.498 -2.972 9.314 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.240 -1.021 7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.821 -2.593 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.378 -2.085 9.916 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.024 -3.235 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.606 -2.928 10.510 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.253 -4.077 6.456 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.748 -4.385 8.052 1.00 0.00 H new ATOM 593 N ILE A 41 2.105 -1.931 7.651 1.00 0.00 N ATOM 594 CA ILE A 41 3.381 -2.341 7.076 1.00 0.00 C ATOM 595 C ILE A 41 4.546 -1.901 7.960 1.00 0.00 C ATOM 596 O ILE A 41 4.520 -0.818 8.544 1.00 0.00 O ATOM 597 CB ILE A 41 3.569 -1.766 5.656 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.518 -2.345 4.709 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.971 -2.056 5.135 1.00 0.00 C ATOM 600 CD1 ILE A 41 2.053 -1.367 3.655 1.00 0.00 C ATOM 0 H ILE A 41 1.999 -0.923 7.766 1.00 0.00 H new ATOM 0 HA ILE A 41 3.370 -3.429 7.015 1.00 0.00 H new ATOM 0 HB ILE A 41 3.442 -0.685 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.929 -3.227 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.658 -2.675 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.080 -1.641 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.707 -1.601 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.131 -3.134 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.308 -1.845 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.612 -0.495 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.903 -1.055 3.048 1.00 0.00 H new ATOM 612 N GLY A 42 5.566 -2.748 8.052 1.00 0.00 N ATOM 613 CA GLY A 42 6.725 -2.430 8.865 1.00 0.00 C ATOM 614 C GLY A 42 8.031 -2.618 8.117 1.00 0.00 C ATOM 615 O GLY A 42 8.040 -3.073 6.974 1.00 0.00 O ATOM 0 H GLY A 42 5.610 -3.650 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.652 -1.398 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.725 -3.061 9.754 1.00 0.00 H new ATOM 619 N ASN A 43 9.135 -2.266 8.766 1.00 0.00 N ATOM 620 CA ASN A 43 10.455 -2.398 8.160 1.00 0.00 C ATOM 621 C ASN A 43 11.098 -3.728 8.540 1.00 0.00 C ATOM 622 O ASN A 43 11.499 -3.929 9.686 1.00 0.00 O ATOM 623 CB ASN A 43 11.356 -1.239 8.595 1.00 0.00 C ATOM 624 CG ASN A 43 12.765 -1.357 8.046 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.437 -2.370 8.240 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.222 -0.319 7.358 1.00 0.00 N ATOM 0 H ASN A 43 9.142 -1.887 9.713 1.00 0.00 H new ATOM 0 HA ASN A 43 10.335 -2.370 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.918 -0.298 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.396 -1.204 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.164 -0.341 6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.632 0.501 7.220 1.00 0.00 H new ATOM 633 N ASP A 44 11.197 -4.629 7.570 1.00 0.00 N ATOM 634 CA ASP A 44 11.797 -5.938 7.802 1.00 0.00 C ATOM 635 C ASP A 44 13.119 -6.066 7.052 1.00 0.00 C ATOM 636 O ASP A 44 13.139 -6.365 5.857 1.00 0.00 O ATOM 637 CB ASP A 44 10.839 -7.047 7.367 1.00 0.00 C ATOM 638 CG ASP A 44 11.272 -8.413 7.863 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.465 -8.573 8.195 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.417 -9.323 7.918 1.00 0.00 O ATOM 0 H ASP A 44 10.870 -4.478 6.616 1.00 0.00 H new ATOM 0 HA ASP A 44 11.993 -6.039 8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.839 -6.827 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.775 -7.062 6.279 1.00 0.00 H new ATOM 645 N ASP A 45 14.221 -5.838 7.760 1.00 0.00 N ATOM 646 CA ASP A 45 15.548 -5.928 7.160 1.00 0.00 C ATOM 647 C ASP A 45 15.660 -5.009 5.947 1.00 0.00 C ATOM 648 O ASP A 45 16.081 -5.432 4.870 1.00 0.00 O ATOM 649 CB ASP A 45 15.849 -7.372 6.755 1.00 0.00 C ATOM 650 CG ASP A 45 17.273 -7.551 6.266 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.188 -7.616 7.114 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.474 -7.626 5.036 1.00 0.00 O ATOM 0 H ASP A 45 14.221 -5.590 8.749 1.00 0.00 H new ATOM 0 HA ASP A 45 16.279 -5.608 7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.675 -8.029 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.157 -7.678 5.970 1.00 0.00 H new ATOM 657 N GLY A 46 15.277 -3.749 6.128 1.00 0.00 N ATOM 658 CA GLY A 46 15.339 -2.791 5.040 1.00 0.00 C ATOM 659 C GLY A 46 14.372 -3.122 3.919 1.00 0.00 C ATOM 660 O GLY A 46 14.507 -2.614 2.806 1.00 0.00 O ATOM 0 H GLY A 46 14.925 -3.375 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.118 -1.795 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.354 -2.762 4.643 1.00 0.00 H new ATOM 664 N SER A 47 13.393 -3.973 4.213 1.00 0.00 N ATOM 665 CA SER A 47 12.400 -4.369 3.221 1.00 0.00 C ATOM 666 C SER A 47 10.987 -4.190 3.765 1.00 0.00 C ATOM 667 O SER A 47 10.789 -4.050 4.972 1.00 0.00 O ATOM 668 CB SER A 47 12.617 -5.824 2.803 1.00 0.00 C ATOM 669 OG SER A 47 12.074 -6.072 1.518 1.00 0.00 O ATOM 0 H SER A 47 13.267 -4.401 5.130 1.00 0.00 H new ATOM 0 HA SER A 47 12.519 -3.726 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.683 -6.050 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.152 -6.488 3.532 1.00 0.00 H new ATOM 0 HG SER A 47 12.227 -7.008 1.273 1.00 0.00 H new ATOM 675 N PHE A 48 10.009 -4.196 2.867 1.00 0.00 N ATOM 676 CA PHE A 48 8.612 -4.035 3.256 1.00 0.00 C ATOM 677 C PHE A 48 8.039 -5.350 3.775 1.00 0.00 C ATOM 678 O PHE A 48 8.338 -6.421 3.247 1.00 0.00 O ATOM 679 CB PHE A 48 7.787 -3.537 2.069 1.00 0.00 C ATOM 680 CG PHE A 48 8.002 -2.084 1.754 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.898 -1.124 2.747 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.308 -1.678 0.464 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.094 0.214 2.461 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.506 -0.342 0.172 1.00 0.00 C ATOM 685 CZ PHE A 48 8.399 0.605 1.172 1.00 0.00 C ATOM 0 H PHE A 48 10.157 -4.311 1.864 1.00 0.00 H new ATOM 0 HA PHE A 48 8.564 -3.298 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.036 -4.131 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.730 -3.702 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.661 -1.425 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.393 -2.414 -0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.009 0.953 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.744 -0.039 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.554 1.650 0.946 1.00 0.00 H new ATOM 695 N SER A 49 7.214 -5.262 4.814 1.00 0.00 N ATOM 696 CA SER A 49 6.600 -6.446 5.405 1.00 0.00 C ATOM 697 C SER A 49 5.096 -6.254 5.578 1.00 0.00 C ATOM 698 O SER A 49 4.649 -5.270 6.166 1.00 0.00 O ATOM 699 CB SER A 49 7.246 -6.760 6.756 1.00 0.00 C ATOM 700 OG SER A 49 7.544 -8.141 6.870 1.00 0.00 O ATOM 0 H SER A 49 6.955 -4.384 5.264 1.00 0.00 H new ATOM 0 HA SER A 49 6.763 -7.285 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.160 -6.177 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.575 -6.462 7.562 1.00 0.00 H new ATOM 0 HG SER A 49 7.957 -8.316 7.741 1.00 0.00 H new ATOM 706 N TRP A 50 4.321 -7.204 5.063 1.00 0.00 N ATOM 707 CA TRP A 50 2.869 -7.142 5.162 1.00 0.00 C ATOM 708 C TRP A 50 2.404 -7.533 6.561 1.00 0.00 C ATOM 709 O TRP A 50 2.622 -8.660 7.006 1.00 0.00 O ATOM 710 CB TRP A 50 2.229 -8.062 4.122 1.00 0.00 C ATOM 711 CG TRP A 50 2.071 -7.419 2.778 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.637 -7.824 1.604 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.296 -6.254 2.470 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.262 -6.982 0.584 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.439 -6.011 1.091 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.495 -5.393 3.226 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.811 -4.944 0.454 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.128 -4.335 2.592 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.033 -4.118 1.218 1.00 0.00 C ATOM 0 H TRP A 50 4.676 -8.025 4.573 1.00 0.00 H new ATOM 0 HA TRP A 50 2.557 -6.115 4.969 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.838 -8.960 4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.251 -8.380 4.482 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.285 -8.681 1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.550 -7.066 -0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.365 -5.552 4.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.934 -4.775 -0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.750 -3.664 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.467 -3.282 0.752 1.00 0.00 H new ATOM 730 N GLY A 51 1.764 -6.594 7.251 1.00 0.00 N ATOM 731 CA GLY A 51 1.281 -6.861 8.593 1.00 0.00 C ATOM 732 C GLY A 51 2.129 -6.197 9.663 1.00 0.00 C ATOM 733 O GLY A 51 1.958 -6.465 10.852 1.00 0.00 O ATOM 0 H GLY A 51 1.572 -5.654 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.252 -6.511 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.267 -7.938 8.762 1.00 0.00 H new ATOM 737 N GLY A 52 3.043 -5.325 9.243 1.00 0.00 N ATOM 738 CA GLY A 52 3.898 -4.636 10.190 1.00 0.00 C ATOM 739 C GLY A 52 3.363 -3.265 10.552 1.00 0.00 C ATOM 740 O GLY A 52 2.152 -3.044 10.547 1.00 0.00 O ATOM 0 H GLY A 52 3.205 -5.085 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.994 -5.237 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.897 -4.534 9.767 1.00 0.00 H new ATOM 744 N GLU A 53 4.265 -2.341 10.867 1.00 0.00 N ATOM 745 CA GLU A 53 3.870 -0.986 11.233 1.00 0.00 C ATOM 746 C GLU A 53 5.090 -0.122 11.533 1.00 0.00 C ATOM 747 O GLU A 53 6.157 -0.632 11.873 1.00 0.00 O ATOM 748 CB GLU A 53 2.938 -1.016 12.444 1.00 0.00 C ATOM 749 CG GLU A 53 3.408 -1.945 13.552 1.00 0.00 C ATOM 750 CD GLU A 53 2.292 -2.322 14.507 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.486 -3.210 14.157 1.00 0.00 O ATOM 752 OE2 GLU A 53 2.225 -1.730 15.605 1.00 0.00 O ATOM 0 H GLU A 53 5.272 -2.505 10.876 1.00 0.00 H new ATOM 0 HA GLU A 53 3.341 -0.548 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.843 -0.006 12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.944 -1.325 12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.825 -2.850 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.211 -1.463 14.109 1.00 0.00 H new ATOM 759 N ASN A 54 4.922 1.191 11.404 1.00 0.00 N ATOM 760 CA ASN A 54 6.006 2.133 11.660 1.00 0.00 C ATOM 761 C ASN A 54 7.131 1.961 10.645 1.00 0.00 C ATOM 762 O ASN A 54 8.295 2.228 10.944 1.00 0.00 O ATOM 763 CB ASN A 54 6.550 1.950 13.078 1.00 0.00 C ATOM 764 CG ASN A 54 5.446 1.854 14.114 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.157 0.636 14.558 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 4.861 2.862 14.509 1.00 0.00 N flip ATOM 0 H ASN A 54 4.044 1.627 11.123 1.00 0.00 H new ATOM 0 HA ASN A 54 5.604 3.141 11.561 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.160 1.047 13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.204 2.787 13.324 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.117 3.778 14.140 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.120 2.782 15.206 1.00 0.00 H new ATOM 773 N PHE A 55 6.777 1.516 9.443 1.00 0.00 N ATOM 774 CA PHE A 55 7.760 1.312 8.385 1.00 0.00 C ATOM 775 C PHE A 55 8.459 2.623 8.036 1.00 0.00 C ATOM 776 O PHE A 55 9.670 2.654 7.812 1.00 0.00 O ATOM 777 CB PHE A 55 7.086 0.724 7.141 1.00 0.00 C ATOM 778 CG PHE A 55 6.248 1.714 6.380 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.980 2.056 6.822 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.730 2.301 5.221 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.209 2.965 6.123 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.964 3.211 4.518 1.00 0.00 C ATOM 783 CZ PHE A 55 4.702 3.544 4.970 1.00 0.00 C ATOM 0 H PHE A 55 5.818 1.290 9.178 1.00 0.00 H new ATOM 0 HA PHE A 55 8.510 0.608 8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.853 0.326 6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.458 -0.115 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.590 1.607 7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.716 2.044 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.222 3.222 6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.352 3.661 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.102 4.256 4.423 1.00 0.00 H new ATOM 793 N SER A 56 7.687 3.704 7.990 1.00 0.00 N ATOM 794 CA SER A 56 8.227 5.020 7.667 1.00 0.00 C ATOM 795 C SER A 56 9.248 5.464 8.710 1.00 0.00 C ATOM 796 O SER A 56 10.153 6.243 8.413 1.00 0.00 O ATOM 797 CB SER A 56 7.097 6.047 7.573 1.00 0.00 C ATOM 798 OG SER A 56 7.584 7.302 7.128 1.00 0.00 O ATOM 0 H SER A 56 6.684 3.694 8.173 1.00 0.00 H new ATOM 0 HA SER A 56 8.730 4.951 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.330 5.687 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.624 6.162 8.548 1.00 0.00 H new ATOM 0 HG SER A 56 6.842 7.940 7.075 1.00 0.00 H new ATOM 804 N GLY A 57 9.098 4.963 9.934 1.00 0.00 N ATOM 805 CA GLY A 57 10.016 5.321 11.001 1.00 0.00 C ATOM 806 C GLY A 57 11.468 5.106 10.617 1.00 0.00 C ATOM 807 O GLY A 57 12.362 5.761 11.153 1.00 0.00 O ATOM 0 H GLY A 57 8.358 4.316 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.866 6.367 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.787 4.729 11.887 1.00 0.00 H new ATOM 811 N SER A 58 11.701 4.186 9.686 1.00 0.00 N ATOM 812 CA SER A 58 13.053 3.887 9.229 1.00 0.00 C ATOM 813 C SER A 58 13.134 3.940 7.706 1.00 0.00 C ATOM 814 O SER A 58 13.945 3.245 7.094 1.00 0.00 O ATOM 815 CB SER A 58 13.494 2.508 9.731 1.00 0.00 C ATOM 816 OG SER A 58 12.431 1.838 10.388 1.00 0.00 O ATOM 0 H SER A 58 10.971 3.635 9.234 1.00 0.00 H new ATOM 0 HA SER A 58 13.724 4.643 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.843 1.907 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.335 2.619 10.415 1.00 0.00 H new ATOM 0 HG SER A 58 12.739 0.960 10.697 1.00 0.00 H new ATOM 822 N ALA A 59 12.289 4.768 7.100 1.00 0.00 N ATOM 823 CA ALA A 59 12.266 4.911 5.650 1.00 0.00 C ATOM 824 C ALA A 59 12.328 6.379 5.242 1.00 0.00 C ATOM 825 O ALA A 59 12.066 7.270 6.050 1.00 0.00 O ATOM 826 CB ALA A 59 11.020 4.251 5.076 1.00 0.00 C ATOM 0 H ALA A 59 11.611 5.350 7.592 1.00 0.00 H new ATOM 0 HA ALA A 59 13.147 4.413 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.015 4.365 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.020 3.191 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.132 4.724 5.495 1.00 0.00 H new ATOM 832 N SER A 60 12.678 6.623 3.983 1.00 0.00 N ATOM 833 CA SER A 60 12.775 7.984 3.468 1.00 0.00 C ATOM 834 C SER A 60 12.106 8.097 2.102 1.00 0.00 C ATOM 835 O SER A 60 12.009 7.115 1.366 1.00 0.00 O ATOM 836 CB SER A 60 14.240 8.411 3.368 1.00 0.00 C ATOM 837 OG SER A 60 14.691 8.974 4.588 1.00 0.00 O ATOM 0 H SER A 60 12.899 5.897 3.302 1.00 0.00 H new ATOM 0 HA SER A 60 12.258 8.646 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.857 7.550 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.356 9.137 2.564 1.00 0.00 H new ATOM 0 HG SER A 60 15.631 9.237 4.499 1.00 0.00 H new ATOM 843 N ASN A 61 11.647 9.305 1.772 1.00 0.00 N ATOM 844 CA ASN A 61 10.982 9.570 0.493 1.00 0.00 C ATOM 845 C ASN A 61 10.062 8.419 0.088 1.00 0.00 C ATOM 846 O ASN A 61 10.265 7.780 -0.944 1.00 0.00 O ATOM 847 CB ASN A 61 12.016 9.828 -0.608 1.00 0.00 C ATOM 848 CG ASN A 61 13.191 8.872 -0.542 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.286 9.244 -0.122 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.968 7.632 -0.960 1.00 0.00 N ATOM 0 H ASN A 61 11.724 10.122 2.378 1.00 0.00 H new ATOM 0 HA ASN A 61 10.369 10.462 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.534 9.739 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.381 10.852 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.721 6.944 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.044 7.367 -1.300 1.00 0.00 H new ATOM 857 N ILE A 62 9.052 8.162 0.911 1.00 0.00 N ATOM 858 CA ILE A 62 8.100 7.091 0.642 1.00 0.00 C ATOM 859 C ILE A 62 6.967 7.578 -0.257 1.00 0.00 C ATOM 860 O ILE A 62 6.172 8.430 0.139 1.00 0.00 O ATOM 861 CB ILE A 62 7.500 6.529 1.946 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.588 6.360 3.009 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.802 5.203 1.681 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.049 5.957 4.364 1.00 0.00 C ATOM 0 H ILE A 62 8.871 8.681 1.770 1.00 0.00 H new ATOM 0 HA ILE A 62 8.650 6.299 0.135 1.00 0.00 H new ATOM 0 HB ILE A 62 6.762 7.239 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.301 5.608 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.136 7.297 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.384 4.820 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.001 5.352 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.521 4.486 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.875 5.855 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.358 6.720 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.525 5.005 4.279 1.00 0.00 H new ATOM 876 N THR A 63 6.900 7.033 -1.468 1.00 0.00 N ATOM 877 CA THR A 63 5.863 7.416 -2.421 1.00 0.00 C ATOM 878 C THR A 63 5.358 6.205 -3.198 1.00 0.00 C ATOM 879 O THR A 63 6.038 5.182 -3.285 1.00 0.00 O ATOM 880 CB THR A 63 6.398 8.473 -3.390 1.00 0.00 C ATOM 881 OG1 THR A 63 7.801 8.351 -3.539 1.00 0.00 O ATOM 882 CG2 THR A 63 6.104 9.891 -2.950 1.00 0.00 C ATOM 0 H THR A 63 7.550 6.326 -1.812 1.00 0.00 H new ATOM 0 HA THR A 63 5.028 7.835 -1.860 1.00 0.00 H new ATOM 0 HB THR A 63 5.883 8.289 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.124 9.034 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.510 10.590 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.026 10.032 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.564 10.073 -1.979 1.00 0.00 H new ATOM 890 N LEU A 64 4.160 6.327 -3.762 1.00 0.00 N ATOM 891 CA LEU A 64 3.561 5.242 -4.531 1.00 0.00 C ATOM 892 C LEU A 64 3.624 5.532 -6.027 1.00 0.00 C ATOM 893 O LEU A 64 3.238 6.610 -6.478 1.00 0.00 O ATOM 894 CB LEU A 64 2.107 5.030 -4.104 1.00 0.00 C ATOM 895 CG LEU A 64 1.475 3.724 -4.587 1.00 0.00 C ATOM 896 CD1 LEU A 64 2.102 2.534 -3.879 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.030 3.747 -4.364 1.00 0.00 C ATOM 0 H LEU A 64 3.585 7.167 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 64 4.130 4.334 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.056 5.060 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.510 5.864 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 64 1.663 3.625 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.640 1.614 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.171 2.508 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.945 2.626 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.464 2.810 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.239 3.870 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.467 4.578 -4.918 1.00 0.00 H new ATOM 909 N ASP A 65 4.113 4.560 -6.792 1.00 0.00 N ATOM 910 CA ASP A 65 4.227 4.708 -8.239 1.00 0.00 C ATOM 911 C ASP A 65 3.584 3.527 -8.961 1.00 0.00 C ATOM 912 O ASP A 65 3.494 2.428 -8.416 1.00 0.00 O ATOM 913 CB ASP A 65 5.696 4.831 -8.646 1.00 0.00 C ATOM 914 CG ASP A 65 6.179 6.268 -8.641 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.774 7.028 -7.735 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.962 6.635 -9.542 1.00 0.00 O ATOM 0 H ASP A 65 4.437 3.662 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 65 3.700 5.617 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.310 4.242 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.831 4.409 -9.642 1.00 0.00 H new ATOM 921 N ILE A 66 3.140 3.763 -10.192 1.00 0.00 N ATOM 922 CA ILE A 66 2.509 2.724 -10.992 1.00 0.00 C ATOM 923 C ILE A 66 3.561 1.891 -11.722 1.00 0.00 C ATOM 924 O ILE A 66 4.596 2.408 -12.142 1.00 0.00 O ATOM 925 CB ILE A 66 1.522 3.336 -12.013 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.195 3.673 -11.328 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.292 2.398 -13.191 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.625 2.454 -10.956 1.00 0.00 C ATOM 0 H ILE A 66 3.207 4.669 -10.657 1.00 0.00 H new ATOM 0 HA ILE A 66 1.953 2.075 -10.316 1.00 0.00 H new ATOM 0 HB ILE A 66 1.962 4.254 -12.401 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.398 4.252 -10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.394 4.308 -11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.594 2.857 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.239 2.209 -13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.878 1.456 -12.831 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.551 2.771 -10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.860 1.885 -11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.055 1.828 -10.269 1.00 0.00 H new ATOM 940 N GLU A 67 3.286 0.599 -11.870 1.00 0.00 N ATOM 941 CA GLU A 67 4.207 -0.306 -12.549 1.00 0.00 C ATOM 942 C GLU A 67 3.448 -1.413 -13.273 1.00 0.00 C ATOM 943 O GLU A 67 2.505 -1.990 -12.730 1.00 0.00 O ATOM 944 CB GLU A 67 5.189 -0.915 -11.548 1.00 0.00 C ATOM 945 CG GLU A 67 6.541 -1.256 -12.152 1.00 0.00 C ATOM 946 CD GLU A 67 6.607 -2.679 -12.671 1.00 0.00 C ATOM 947 OE1 GLU A 67 6.379 -3.612 -11.873 1.00 0.00 O ATOM 948 OE2 GLU A 67 6.886 -2.859 -13.874 1.00 0.00 O ATOM 0 H GLU A 67 2.433 0.155 -11.529 1.00 0.00 H new ATOM 0 HA GLU A 67 4.764 0.271 -13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.334 -0.217 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.751 -1.819 -11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.755 -0.566 -12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.317 -1.111 -11.401 1.00 0.00 H new ATOM 955 N GLY A 68 3.865 -1.706 -14.500 1.00 0.00 N ATOM 956 CA GLY A 68 3.215 -2.744 -15.278 1.00 0.00 C ATOM 957 C GLY A 68 2.114 -2.200 -16.168 1.00 0.00 C ATOM 958 O GLY A 68 1.629 -1.089 -15.958 1.00 0.00 O ATOM 0 H GLY A 68 4.643 -1.242 -14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.958 -3.251 -15.894 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.797 -3.491 -14.603 1.00 0.00 H new ATOM 962 N ASP A 69 1.720 -2.987 -17.163 1.00 0.00 N ATOM 963 CA ASP A 69 0.668 -2.580 -18.090 1.00 0.00 C ATOM 964 C ASP A 69 -0.714 -2.683 -17.445 1.00 0.00 C ATOM 965 O ASP A 69 -1.711 -2.260 -18.030 1.00 0.00 O ATOM 966 CB ASP A 69 0.716 -3.441 -19.354 1.00 0.00 C ATOM 967 CG ASP A 69 0.041 -2.771 -20.535 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.600 -1.782 -21.055 1.00 0.00 O ATOM 969 OD2 ASP A 69 -1.045 -3.235 -20.940 1.00 0.00 O ATOM 0 H ASP A 69 2.112 -3.910 -17.349 1.00 0.00 H new ATOM 0 HA ASP A 69 0.843 -1.537 -18.355 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.755 -3.655 -19.606 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.232 -4.398 -19.157 1.00 0.00 H new ATOM 974 N ASP A 70 -0.770 -3.245 -16.239 1.00 0.00 N ATOM 975 CA ASP A 70 -2.033 -3.397 -15.527 1.00 0.00 C ATOM 976 C ASP A 70 -2.248 -2.261 -14.526 1.00 0.00 C ATOM 977 O ASP A 70 -3.321 -2.141 -13.936 1.00 0.00 O ATOM 978 CB ASP A 70 -2.072 -4.746 -14.803 1.00 0.00 C ATOM 979 CG ASP A 70 -3.021 -5.728 -15.461 1.00 0.00 C ATOM 980 OD1 ASP A 70 -2.882 -5.963 -16.680 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.904 -6.263 -14.758 1.00 0.00 O ATOM 0 H ASP A 70 0.043 -3.601 -15.737 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.838 -3.358 -16.261 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.069 -5.173 -14.782 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.375 -4.591 -13.767 1.00 0.00 H new ATOM 986 N ASN A 71 -1.223 -1.432 -14.334 1.00 0.00 N ATOM 987 CA ASN A 71 -1.309 -0.314 -13.401 1.00 0.00 C ATOM 988 C ASN A 71 -1.421 -0.817 -11.970 1.00 0.00 C ATOM 989 O ASN A 71 -2.508 -0.852 -11.394 1.00 0.00 O ATOM 990 CB ASN A 71 -2.505 0.579 -13.736 1.00 0.00 C ATOM 991 CG ASN A 71 -2.540 0.973 -15.200 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.890 1.933 -15.612 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.302 0.230 -15.995 1.00 0.00 N ATOM 0 H ASN A 71 -0.326 -1.515 -14.812 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.396 0.274 -13.495 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.427 0.057 -13.481 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.467 1.478 -13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.365 0.447 -16.990 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.824 -0.557 -15.611 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.288 -1.212 -11.404 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.255 -1.721 -10.041 1.00 0.00 C ATOM 1002 C ILE A 72 0.428 -0.732 -9.098 1.00 0.00 C ATOM 1003 O ILE A 72 1.553 -0.301 -9.349 1.00 0.00 O ATOM 1004 CB ILE A 72 0.475 -3.076 -9.961 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.270 -3.883 -11.246 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.016 -3.861 -8.758 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.171 -4.274 -11.492 1.00 0.00 C ATOM 0 H ILE A 72 0.620 -1.189 -11.868 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.291 -1.857 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 72 1.542 -2.887 -9.848 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.629 -3.299 -12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.880 -4.785 -11.200 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.505 -4.817 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.181 -3.294 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.088 -4.037 -8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.240 -4.843 -12.419 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.529 -4.885 -10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.783 -3.376 -11.571 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.247 -0.355 -7.995 1.00 0.00 N ATOM 1020 CA PRO A 73 0.305 0.589 -7.017 1.00 0.00 C ATOM 1021 C PRO A 73 1.503 0.016 -6.269 1.00 0.00 C ATOM 1022 O PRO A 73 1.348 -0.796 -5.357 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.860 0.831 -6.053 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.723 -0.375 -6.186 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.595 -0.818 -7.616 1.00 0.00 C ATOM 0 HA PRO A 73 0.675 1.496 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.507 0.953 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.406 1.738 -6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.402 -1.162 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.759 -0.143 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.691 -1.900 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.365 -0.373 -8.246 1.00 0.00 H new ATOM 1033 N VAL A 74 2.698 0.444 -6.660 1.00 0.00 N ATOM 1034 CA VAL A 74 3.924 -0.026 -6.026 1.00 0.00 C ATOM 1035 C VAL A 74 4.556 1.065 -5.167 1.00 0.00 C ATOM 1036 O VAL A 74 4.906 2.136 -5.664 1.00 0.00 O ATOM 1037 CB VAL A 74 4.952 -0.500 -7.070 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.132 -1.176 -6.389 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.300 -1.436 -8.075 1.00 0.00 C ATOM 0 H VAL A 74 2.844 1.116 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 74 3.646 -0.868 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 74 5.324 0.372 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.848 -1.504 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.615 -0.471 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.780 -2.038 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.042 -1.760 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.898 -2.306 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.492 -0.914 -8.587 1.00 0.00 H new ATOM 1049 N LEU A 75 4.700 0.785 -3.875 1.00 0.00 N ATOM 1050 CA LEU A 75 5.291 1.740 -2.944 1.00 0.00 C ATOM 1051 C LEU A 75 6.800 1.545 -2.854 1.00 0.00 C ATOM 1052 O LEU A 75 7.276 0.476 -2.474 1.00 0.00 O ATOM 1053 CB LEU A 75 4.659 1.588 -1.559 1.00 0.00 C ATOM 1054 CG LEU A 75 5.172 2.564 -0.497 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.082 3.998 -0.999 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.392 2.397 0.801 1.00 0.00 C ATOM 0 H LEU A 75 4.415 -0.097 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 75 5.095 2.746 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.580 1.713 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.832 0.571 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 75 6.220 2.338 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.451 4.677 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.686 4.107 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.044 4.239 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.770 3.098 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.336 2.595 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.512 1.378 1.169 1.00 0.00 H new ATOM 1068 N ARG A 76 7.548 2.585 -3.209 1.00 0.00 N ATOM 1069 CA ARG A 76 9.006 2.528 -3.173 1.00 0.00 C ATOM 1070 C ARG A 76 9.572 3.532 -2.174 1.00 0.00 C ATOM 1071 O ARG A 76 9.170 4.695 -2.151 1.00 0.00 O ATOM 1072 CB ARG A 76 9.580 2.804 -4.563 1.00 0.00 C ATOM 1073 CG ARG A 76 9.589 1.586 -5.472 1.00 0.00 C ATOM 1074 CD ARG A 76 9.637 1.985 -6.939 1.00 0.00 C ATOM 1075 NE ARG A 76 8.521 1.424 -7.698 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.525 0.205 -8.234 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.575 -0.592 -8.084 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.473 -0.219 -8.920 1.00 0.00 N ATOM 0 H ARG A 76 7.169 3.478 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 76 9.294 1.526 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.999 3.595 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.599 3.176 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.450 0.961 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.698 0.986 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.620 3.072 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.577 1.648 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 76 7.689 2.001 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.387 -0.272 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.571 -1.524 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.662 0.388 -9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.475 -1.152 -9.331 1.00 0.00 H new ATOM 1092 N ALA A 77 10.511 3.074 -1.352 1.00 0.00 N ATOM 1093 CA ALA A 77 11.137 3.932 -0.353 1.00 0.00 C ATOM 1094 C ALA A 77 12.394 3.285 0.220 1.00 0.00 C ATOM 1095 O ALA A 77 12.456 2.066 0.385 1.00 0.00 O ATOM 1096 CB ALA A 77 10.150 4.255 0.759 1.00 0.00 C ATOM 0 H ALA A 77 10.855 2.114 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 77 11.432 4.861 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.631 4.896 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.285 4.770 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.825 3.331 1.237 1.00 0.00 H new ATOM 1102 N GLU A 78 13.392 4.108 0.527 1.00 0.00 N ATOM 1103 CA GLU A 78 14.645 3.614 1.087 1.00 0.00 C ATOM 1104 C GLU A 78 14.460 3.210 2.546 1.00 0.00 C ATOM 1105 O GLU A 78 14.336 4.063 3.424 1.00 0.00 O ATOM 1106 CB GLU A 78 15.736 4.681 0.975 1.00 0.00 C ATOM 1107 CG GLU A 78 15.783 5.363 -0.383 1.00 0.00 C ATOM 1108 CD GLU A 78 17.161 5.316 -1.014 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.752 4.217 -1.066 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.648 6.377 -1.457 1.00 0.00 O ATOM 0 H GLU A 78 13.357 5.119 0.398 1.00 0.00 H new ATOM 0 HA GLU A 78 14.950 2.736 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.576 5.435 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.704 4.221 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.066 4.885 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.473 6.402 -0.274 1.00 0.00 H new ATOM 1117 N LEU A 79 14.437 1.905 2.797 1.00 0.00 N ATOM 1118 CA LEU A 79 14.260 1.390 4.150 1.00 0.00 C ATOM 1119 C LEU A 79 15.603 1.157 4.835 1.00 0.00 C ATOM 1120 O LEU A 79 16.610 0.890 4.178 1.00 0.00 O ATOM 1121 CB LEU A 79 13.461 0.086 4.118 1.00 0.00 C ATOM 1122 CG LEU A 79 11.955 0.253 3.914 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.314 -1.080 3.564 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.312 0.846 5.159 1.00 0.00 C ATOM 0 H LEU A 79 14.539 1.185 2.082 1.00 0.00 H new ATOM 0 HA LEU A 79 13.711 2.137 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.853 -0.542 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.628 -0.448 5.054 1.00 0.00 H new ATOM 0 HG LEU A 79 11.793 0.940 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.242 -0.942 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.755 -1.466 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.485 -1.790 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.240 0.958 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.483 0.184 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.752 1.822 5.366 1.00 0.00 H new ATOM 1136 N ASN A 80 15.605 1.255 6.160 1.00 0.00 N ATOM 1137 CA ASN A 80 16.817 1.051 6.944 1.00 0.00 C ATOM 1138 C ASN A 80 16.783 -0.310 7.639 1.00 0.00 C ATOM 1139 O ASN A 80 15.992 -0.525 8.557 1.00 0.00 O ATOM 1140 CB ASN A 80 16.970 2.163 7.983 1.00 0.00 C ATOM 1141 CG ASN A 80 17.466 3.459 7.374 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.597 3.881 7.618 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.620 4.100 6.575 1.00 0.00 N ATOM 0 H ASN A 80 14.778 1.475 6.715 1.00 0.00 H new ATOM 0 HA ASN A 80 17.672 1.078 6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 80 16.010 2.337 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.665 1.839 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.898 4.978 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.692 3.714 6.400 1.00 0.00 H new ATOM 1150 N PRO A 81 17.642 -1.253 7.210 1.00 0.00 N ATOM 1151 CA PRO A 81 17.697 -2.593 7.798 1.00 0.00 C ATOM 1152 C PRO A 81 18.357 -2.598 9.172 1.00 0.00 C ATOM 1153 O PRO A 81 18.978 -1.617 9.579 1.00 0.00 O ATOM 1154 CB PRO A 81 18.542 -3.380 6.797 1.00 0.00 C ATOM 1155 CG PRO A 81 19.427 -2.359 6.173 1.00 0.00 C ATOM 1156 CD PRO A 81 18.622 -1.089 6.120 1.00 0.00 C ATOM 0 HA PRO A 81 16.703 -3.009 7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.122 -4.158 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.918 -3.873 6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.336 -2.221 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.735 -2.668 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.249 -0.211 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.131 -0.966 5.155 1.00 0.00 H new ATOM 1164 N MET A 82 18.218 -3.713 9.880 1.00 0.00 N ATOM 1165 CA MET A 82 18.801 -3.854 11.209 1.00 0.00 C ATOM 1166 C MET A 82 20.304 -4.106 11.122 1.00 0.00 C ATOM 1167 O MET A 82 21.042 -3.845 12.072 1.00 0.00 O ATOM 1168 CB MET A 82 18.122 -4.996 11.966 1.00 0.00 C ATOM 1169 CG MET A 82 18.045 -6.290 11.173 1.00 0.00 C ATOM 1170 SD MET A 82 17.807 -7.736 12.224 1.00 0.00 S ATOM 1171 CE MET A 82 18.844 -8.935 11.390 1.00 0.00 C ATOM 0 H MET A 82 17.706 -4.533 9.555 1.00 0.00 H new ATOM 0 HA MET A 82 18.640 -2.922 11.750 1.00 0.00 H new ATOM 0 HB2 MET A 82 18.665 -5.180 12.893 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.114 -4.688 12.243 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.224 -6.226 10.459 1.00 0.00 H new ATOM 0 HG3 MET A 82 18.961 -6.413 10.595 1.00 0.00 H new ATOM 0 HE1 MET A 82 18.667 -9.925 11.811 1.00 0.00 H new ATOM 0 HE2 MET A 82 18.605 -8.945 10.327 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.892 -8.666 11.524 1.00 0.00 H new ATOM 1181 N ASP A 83 20.752 -4.616 9.978 1.00 0.00 N ATOM 1182 CA ASP A 83 22.167 -4.901 9.771 1.00 0.00 C ATOM 1183 C ASP A 83 22.946 -3.616 9.513 1.00 0.00 C ATOM 1184 O ASP A 83 24.093 -3.478 9.937 1.00 0.00 O ATOM 1185 CB ASP A 83 22.348 -5.866 8.599 1.00 0.00 C ATOM 1186 CG ASP A 83 22.350 -7.317 9.039 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.323 -7.773 9.584 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.378 -7.998 8.838 1.00 0.00 O ATOM 0 H ASP A 83 20.156 -4.840 9.181 1.00 0.00 H new ATOM 0 HA ASP A 83 22.556 -5.366 10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.547 -5.710 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.285 -5.643 8.089 1.00 0.00 H new ATOM 1193 N GLY A 84 22.315 -2.679 8.814 1.00 0.00 N ATOM 1194 CA GLY A 84 22.963 -1.416 8.511 1.00 0.00 C ATOM 1195 C GLY A 84 22.857 -1.047 7.044 1.00 0.00 C ATOM 1196 O GLY A 84 22.602 -1.904 6.198 1.00 0.00 O ATOM 0 H GLY A 84 21.366 -2.771 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.514 -0.627 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.014 -1.474 8.793 1.00 0.00 H new ATOM 1200 N ASP A 85 23.054 0.233 6.744 1.00 0.00 N ATOM 1201 CA ASP A 85 22.981 0.718 5.371 1.00 0.00 C ATOM 1202 C ASP A 85 21.578 0.522 4.797 1.00 0.00 C ATOM 1203 O ASP A 85 21.163 -0.606 4.532 1.00 0.00 O ATOM 1204 CB ASP A 85 24.007 -0.006 4.496 1.00 0.00 C ATOM 1205 CG ASP A 85 25.332 0.728 4.431 1.00 0.00 C ATOM 1206 OD1 ASP A 85 26.029 0.787 5.466 1.00 0.00 O ATOM 1207 OD2 ASP A 85 25.672 1.245 3.346 1.00 0.00 O ATOM 0 H ASP A 85 23.266 0.953 7.434 1.00 0.00 H new ATOM 0 HA ASP A 85 23.206 1.784 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.170 -1.010 4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.607 -0.118 3.488 1.00 0.00 H new ATOM 1212 N PRO A 86 20.824 1.619 4.594 1.00 0.00 N ATOM 1213 CA PRO A 86 19.465 1.549 4.047 1.00 0.00 C ATOM 1214 C PRO A 86 19.452 1.091 2.593 1.00 0.00 C ATOM 1215 O PRO A 86 20.356 1.413 1.822 1.00 0.00 O ATOM 1216 CB PRO A 86 18.956 2.989 4.159 1.00 0.00 C ATOM 1217 CG PRO A 86 20.186 3.828 4.178 1.00 0.00 C ATOM 1218 CD PRO A 86 21.234 3.008 4.878 1.00 0.00 C ATOM 0 HA PRO A 86 18.849 0.826 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.314 3.248 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.367 3.131 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.501 4.082 3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 86 20.010 4.767 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.232 3.219 4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.254 3.210 5.949 1.00 0.00 H new ATOM 1226 N VAL A 87 18.423 0.335 2.224 1.00 0.00 N ATOM 1227 CA VAL A 87 18.295 -0.169 0.862 1.00 0.00 C ATOM 1228 C VAL A 87 16.940 0.196 0.266 1.00 0.00 C ATOM 1229 O VAL A 87 15.945 0.305 0.982 1.00 0.00 O ATOM 1230 CB VAL A 87 18.471 -1.698 0.810 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.911 -2.081 1.116 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.513 -2.378 1.776 1.00 0.00 C ATOM 0 H VAL A 87 17.666 0.058 2.849 1.00 0.00 H new ATOM 0 HA VAL A 87 19.085 0.300 0.276 1.00 0.00 H new ATOM 0 HB VAL A 87 18.236 -2.039 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.016 -3.165 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.573 -1.624 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.177 -1.729 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.651 -3.458 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.713 -2.033 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.487 -2.131 1.505 1.00 0.00 H new ATOM 1242 N GLU A 88 16.910 0.383 -1.049 1.00 0.00 N ATOM 1243 CA GLU A 88 15.677 0.735 -1.742 1.00 0.00 C ATOM 1244 C GLU A 88 14.664 -0.403 -1.660 1.00 0.00 C ATOM 1245 O GLU A 88 14.896 -1.492 -2.183 1.00 0.00 O ATOM 1246 CB GLU A 88 15.969 1.074 -3.206 1.00 0.00 C ATOM 1247 CG GLU A 88 15.638 2.511 -3.575 1.00 0.00 C ATOM 1248 CD GLU A 88 16.228 2.921 -4.910 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.260 2.339 -5.307 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.658 3.823 -5.559 1.00 0.00 O ATOM 0 H GLU A 88 17.725 0.297 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 88 15.251 1.611 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.024 0.889 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.398 0.402 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.555 2.634 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.011 3.177 -2.797 1.00 0.00 H new ATOM 1257 N ALA A 89 13.541 -0.141 -1.001 1.00 0.00 N ATOM 1258 CA ALA A 89 12.493 -1.142 -0.851 1.00 0.00 C ATOM 1259 C ALA A 89 11.297 -0.817 -1.738 1.00 0.00 C ATOM 1260 O ALA A 89 10.956 0.350 -1.934 1.00 0.00 O ATOM 1261 CB ALA A 89 12.062 -1.242 0.604 1.00 0.00 C ATOM 0 H ALA A 89 13.334 0.756 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 89 12.896 -2.105 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.279 -1.994 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.916 -1.527 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.682 -0.277 0.938 1.00 0.00 H new ATOM 1267 N ASN A 90 10.662 -1.855 -2.272 1.00 0.00 N ATOM 1268 CA ASN A 90 9.503 -1.676 -3.138 1.00 0.00 C ATOM 1269 C ASN A 90 8.452 -2.748 -2.869 1.00 0.00 C ATOM 1270 O ASN A 90 8.727 -3.942 -2.979 1.00 0.00 O ATOM 1271 CB ASN A 90 9.927 -1.704 -4.611 1.00 0.00 C ATOM 1272 CG ASN A 90 10.249 -3.102 -5.108 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.590 -3.619 -6.010 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.265 -3.722 -4.519 1.00 0.00 N ATOM 0 H ASN A 90 10.930 -2.827 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 90 9.062 -0.704 -2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.129 -1.282 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.801 -1.066 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.526 -4.664 -4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.785 -3.256 -3.775 1.00 0.00 H new ATOM 1281 N VAL A 91 7.246 -2.314 -2.518 1.00 0.00 N ATOM 1282 CA VAL A 91 6.157 -3.241 -2.238 1.00 0.00 C ATOM 1283 C VAL A 91 4.881 -2.826 -2.962 1.00 0.00 C ATOM 1284 O VAL A 91 4.520 -1.649 -2.981 1.00 0.00 O ATOM 1285 CB VAL A 91 5.869 -3.338 -0.726 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.362 -2.009 -0.185 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.872 -4.452 -0.445 1.00 0.00 C ATOM 0 H VAL A 91 6.999 -1.329 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 91 6.476 -4.218 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 91 6.802 -3.575 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.166 -2.102 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.115 -1.238 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.442 -1.734 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.680 -4.507 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.939 -4.247 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.281 -5.402 -0.789 1.00 0.00 H new ATOM 1297 N ASN A 92 4.202 -3.800 -3.552 1.00 0.00 N ATOM 1298 CA ASN A 92 2.965 -3.541 -4.273 1.00 0.00 C ATOM 1299 C ASN A 92 1.762 -3.721 -3.349 1.00 0.00 C ATOM 1300 O ASN A 92 1.423 -4.840 -2.968 1.00 0.00 O ATOM 1301 CB ASN A 92 2.870 -4.474 -5.490 1.00 0.00 C ATOM 1302 CG ASN A 92 1.444 -4.770 -5.914 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.550 -3.940 -5.755 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.227 -5.962 -6.457 1.00 0.00 N ATOM 0 H ASN A 92 4.488 -4.779 -3.545 1.00 0.00 H new ATOM 0 HA ASN A 92 2.964 -2.509 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.403 -4.023 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.374 -5.412 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.288 -6.220 -6.762 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.999 -6.619 -6.570 1.00 0.00 H new ATOM 1311 N LEU A 93 1.122 -2.610 -2.991 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.043 -2.646 -2.109 1.00 0.00 C ATOM 1313 C LEU A 93 -1.056 -3.684 -2.585 1.00 0.00 C ATOM 1314 O LEU A 93 -1.663 -4.390 -1.782 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.703 -1.267 -2.044 1.00 0.00 C ATOM 1316 CG LEU A 93 0.214 -0.132 -1.585 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.468 1.215 -1.774 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.615 -0.327 -0.130 1.00 0.00 C ATOM 0 H LEU A 93 1.390 -1.675 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 93 0.297 -2.927 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.094 -1.021 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.556 -1.321 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 93 1.116 -0.149 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.199 2.010 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.706 1.357 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.386 1.243 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.267 0.489 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.278 -0.336 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.143 -1.274 -0.022 1.00 0.00 H new ATOM 1330 N SER A 94 -1.223 -3.776 -3.900 1.00 0.00 N ATOM 1331 CA SER A 94 -2.152 -4.731 -4.493 1.00 0.00 C ATOM 1332 C SER A 94 -1.775 -6.171 -4.139 1.00 0.00 C ATOM 1333 O SER A 94 -2.559 -7.094 -4.346 1.00 0.00 O ATOM 1334 CB SER A 94 -2.196 -4.555 -6.014 1.00 0.00 C ATOM 1335 OG SER A 94 -1.258 -5.399 -6.659 1.00 0.00 O ATOM 0 H SER A 94 -0.725 -3.199 -4.578 1.00 0.00 H new ATOM 0 HA SER A 94 -3.142 -4.533 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.199 -4.777 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.988 -3.516 -6.268 1.00 0.00 H new ATOM 0 HG SER A 94 -1.657 -5.770 -7.474 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.567 -6.363 -3.617 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.100 -7.694 -3.249 1.00 0.00 C ATOM 1343 C GLU A 95 -0.997 -8.326 -2.190 1.00 0.00 C ATOM 1344 O GLU A 95 -1.373 -9.493 -2.300 1.00 0.00 O ATOM 1345 CB GLU A 95 1.336 -7.632 -2.728 1.00 0.00 C ATOM 1346 CG GLU A 95 2.377 -7.457 -3.822 1.00 0.00 C ATOM 1347 CD GLU A 95 3.428 -8.550 -3.810 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.047 -9.740 -3.825 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.631 -8.217 -3.787 1.00 0.00 O ATOM 0 H GLU A 95 0.104 -5.615 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.135 -8.312 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.421 -6.806 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.552 -8.547 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.880 -7.447 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.864 -6.489 -3.703 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.327 -7.556 -1.156 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.168 -8.058 -0.073 1.00 0.00 C ATOM 1358 C ARG A 96 -3.176 -7.008 0.383 1.00 0.00 C ATOM 1359 O ARG A 96 -3.441 -6.869 1.578 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.299 -8.486 1.111 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.340 -9.619 0.786 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.861 -10.950 1.300 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.392 -11.235 2.655 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.575 -12.399 3.274 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.217 -13.388 2.665 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.115 -12.575 4.505 1.00 0.00 N ATOM 0 H ARG A 96 -1.027 -6.587 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.720 -8.918 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.727 -7.626 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.946 -8.794 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.194 -9.676 -0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.634 -9.412 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.951 -10.942 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.541 -11.748 0.630 1.00 0.00 H new ATOM 0 HE ARG A 96 0.105 -10.498 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.573 -13.258 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.354 -14.278 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.379 -11.818 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.255 -13.467 4.979 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.744 -6.277 -0.568 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.729 -5.252 -0.247 1.00 0.00 C ATOM 1382 C ILE A 97 -6.022 -5.492 -1.017 1.00 0.00 C ATOM 1383 O ILE A 97 -6.037 -5.463 -2.245 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.186 -3.841 -0.566 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -3.030 -3.498 0.376 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.291 -2.796 -0.457 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.454 -3.317 1.818 1.00 0.00 C ATOM 0 H ILE A 97 -3.541 -6.374 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.934 -5.312 0.822 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.818 -3.837 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.282 -4.289 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.550 -2.583 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.884 -1.811 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.087 -3.033 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.693 -2.796 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.582 -3.076 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.179 -2.506 1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.907 -4.239 2.183 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.107 -5.723 -0.289 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.386 -5.968 -0.928 1.00 0.00 C ATOM 1401 C GLY A 98 -9.431 -4.931 -0.568 1.00 0.00 C ATOM 1402 O GLY A 98 -9.158 -3.998 0.187 1.00 0.00 O ATOM 0 H GLY A 98 -7.125 -5.745 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.250 -5.980 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.747 -6.956 -0.641 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.634 -5.099 -1.109 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.731 -4.176 -0.842 1.00 0.00 C ATOM 1408 C ASN A 99 -12.998 -4.939 -0.467 1.00 0.00 C ATOM 1409 O ASN A 99 -13.694 -5.470 -1.332 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.995 -3.295 -2.065 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.262 -4.108 -3.316 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.460 -4.958 -3.701 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.396 -3.850 -3.958 1.00 0.00 N ATOM 0 H ASN A 99 -10.874 -5.867 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.446 -3.541 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.850 -2.648 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.136 -2.645 -2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.631 -4.366 -4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.032 -3.136 -3.603 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.290 -4.991 0.829 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.472 -5.692 1.318 1.00 0.00 C ATOM 1422 C ASP A 100 -15.661 -4.745 1.429 1.00 0.00 C ATOM 1423 O ASP A 100 -15.636 -3.788 2.204 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.185 -6.330 2.679 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.292 -7.265 3.124 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.506 -8.296 2.451 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.946 -6.967 4.146 1.00 0.00 O ATOM 0 H ASP A 100 -12.725 -4.557 1.559 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.721 -6.475 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.246 -6.881 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.054 -5.546 3.425 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.703 -5.017 0.649 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.905 -4.189 0.659 1.00 0.00 C ATOM 1434 C CYS A 101 -17.561 -2.726 0.394 1.00 0.00 C ATOM 1435 O CYS A 101 -18.237 -1.821 0.884 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.629 -4.320 2.000 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.311 -3.655 1.998 1.00 0.00 S ATOM 0 H CYS A 101 -16.739 -5.805 0.002 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.563 -4.538 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.666 -5.373 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.048 -3.807 2.766 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.303 -2.457 1.494 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.505 -2.503 -0.381 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.089 -1.148 -0.695 1.00 0.00 C ATOM 1445 C GLY A 102 -15.072 -0.605 0.293 1.00 0.00 C ATOM 1446 O GLY A 102 -14.431 0.413 0.033 1.00 0.00 O ATOM 0 H GLY A 102 -15.930 -3.235 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.663 -1.126 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.963 -0.497 -0.706 1.00 0.00 H new ATOM 1450 N THR A 103 -14.924 -1.282 1.429 1.00 0.00 N ATOM 1451 CA THR A 103 -13.978 -0.856 2.453 1.00 0.00 C ATOM 1452 C THR A 103 -12.593 -1.438 2.190 1.00 0.00 C ATOM 1453 O THR A 103 -12.463 -2.563 1.707 1.00 0.00 O ATOM 1454 CB THR A 103 -14.468 -1.282 3.838 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.799 -0.848 4.054 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.619 -0.738 4.966 1.00 0.00 C ATOM 0 H THR A 103 -15.447 -2.126 1.662 1.00 0.00 H new ATOM 0 HA THR A 103 -13.908 0.231 2.418 1.00 0.00 H new ATOM 0 HB THR A 103 -14.401 -2.370 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.095 -1.131 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.021 -1.078 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.595 -1.095 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.628 0.352 4.935 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.562 -0.664 2.511 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.185 -1.101 2.310 1.00 0.00 C ATOM 1466 C LEU A 104 -9.793 -2.153 3.343 1.00 0.00 C ATOM 1467 O LEU A 104 -9.882 -1.918 4.548 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.234 0.097 2.389 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.591 0.503 1.062 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.620 -0.569 0.590 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.658 0.763 0.007 1.00 0.00 C ATOM 0 H LEU A 104 -11.654 0.270 2.912 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.109 -1.549 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.783 0.951 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.443 -0.133 3.103 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.033 1.426 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.172 -0.263 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.837 -0.704 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.155 -1.509 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.181 1.051 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.245 -0.142 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.313 1.567 0.342 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.358 -3.313 2.863 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.951 -4.401 3.744 1.00 0.00 C ATOM 1485 C ILE A 105 -7.578 -4.937 3.356 1.00 0.00 C ATOM 1486 O ILE A 105 -6.998 -4.520 2.353 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.969 -5.558 3.719 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.108 -6.117 2.302 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.317 -5.088 4.244 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.260 -7.621 2.258 1.00 0.00 C ATOM 0 H ILE A 105 -9.278 -3.524 1.868 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.906 -3.991 4.753 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.606 -6.355 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.973 -5.658 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.232 -5.831 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.026 -5.916 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.205 -4.735 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.688 -4.275 3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.353 -7.947 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.384 -8.089 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.152 -7.913 2.812 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.062 -5.864 4.156 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.757 -6.457 3.897 1.00 0.00 C ATOM 1504 C PHE A 106 -5.866 -7.977 3.797 1.00 0.00 C ATOM 1505 O PHE A 106 -6.578 -8.612 4.576 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.772 -6.058 5.002 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.624 -7.011 5.169 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.739 -8.105 6.009 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.437 -6.815 4.485 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.688 -8.988 6.166 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.382 -7.694 4.637 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.507 -8.782 5.479 1.00 0.00 C ATOM 0 H PHE A 106 -7.529 -6.221 4.990 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.385 -6.082 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.378 -5.066 4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.311 -5.985 5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.660 -8.270 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.334 -5.966 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.789 -9.838 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.460 -7.531 4.098 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.683 -9.470 5.600 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.156 -8.553 2.833 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.171 -9.997 2.629 1.00 0.00 C ATOM 1524 C LEU A 107 -4.495 -10.717 3.792 1.00 0.00 C ATOM 1525 O LEU A 107 -3.268 -10.779 3.867 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.469 -10.354 1.318 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.370 -10.356 0.081 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.469 -11.397 0.223 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -5.967 -8.975 -0.145 1.00 0.00 C ATOM 0 H LEU A 107 -4.562 -8.042 2.180 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.210 -10.321 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.655 -9.647 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.018 -11.341 1.422 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.763 -10.615 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.100 -11.384 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.022 -12.385 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.074 -11.170 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.605 -8.995 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.559 -8.688 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.165 -8.252 -0.292 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.304 -11.259 4.697 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.784 -11.975 5.856 1.00 0.00 C ATOM 1543 C ALA A 108 -5.237 -13.431 5.849 1.00 0.00 C ATOM 1544 O ALA A 108 -6.428 -13.680 6.131 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.225 -11.289 7.140 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.397 -14.309 5.562 1.00 0.00 O ATOM 0 H ALA A 108 -6.322 -11.216 4.650 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.695 -11.960 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.830 -11.834 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.848 -10.267 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.314 -11.275 7.189 1.00 0.00 H new