USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 783 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 99 ASN : amide:sc= 0.543 K(o=1.1,f=-1.3) USER MOD Set 1.2: A 101 SER OG : rot -49:sc= 0.589 USER MOD Single : A 10 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.08) USER MOD Single : A 13 THR OG1 : rot 73:sc= 0.00168 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.925) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -120:sc=-0.00581 USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= -0.103 (180deg=-1.23!) USER MOD Single : A 41 ASN : amide:sc= -1.89! C(o=-1.9!,f=-8.8!) USER MOD Single : A 46 CYS SG : rot 67:sc= -0.494 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.429 K(o=0.43,f=-9.4!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 143:sc= -0.027 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 120:sc= -0.595 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -2.86 USER MOD Single : A 72 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.145 K(o=-0.14,f=-11!) USER MOD Single : A 75 ASN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 159:sc= -4.83! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.436 K(o=-0.44,f=-4.4!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 87:sc= 1.03 USER MOD Single : A 106 THR OG1 : rot -90:sc= 0.255 USER MOD Single : A 111 ASN : amide:sc= 0.996 K(o=1,f=-1.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -79:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.936 -1.391 -5.968 1.00 0.00 N ATOM 60 CA GLY A 7 -10.833 -1.826 -5.132 1.00 0.00 C ATOM 61 C GLY A 7 -10.198 -0.682 -4.368 1.00 0.00 C ATOM 62 O GLY A 7 -9.880 -0.816 -3.187 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.190 -2.576 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.078 -2.307 -5.754 1.00 0.00 H new ATOM 66 N GLU A 8 -10.010 0.447 -5.045 1.00 0.00 N ATOM 67 CA GLU A 8 -9.405 1.619 -4.422 1.00 0.00 C ATOM 68 C GLU A 8 -9.944 1.823 -3.008 1.00 0.00 C ATOM 69 O GLU A 8 -9.179 1.920 -2.050 1.00 0.00 O ATOM 70 CB GLU A 8 -9.671 2.867 -5.265 1.00 0.00 C ATOM 71 CG GLU A 8 -8.945 2.866 -6.600 1.00 0.00 C ATOM 72 CD GLU A 8 -9.696 2.101 -7.672 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.945 2.119 -7.648 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.036 1.485 -8.535 1.00 0.00 O ATOM 0 H GLU A 8 -10.268 0.575 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.330 1.452 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.743 2.953 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.371 3.749 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.797 3.894 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.956 2.427 -6.471 1.00 0.00 H new ATOM 81 N GLU A 9 -11.267 1.886 -2.889 1.00 0.00 N ATOM 82 CA GLU A 9 -11.908 2.080 -1.594 1.00 0.00 C ATOM 83 C GLU A 9 -11.576 0.931 -0.645 1.00 0.00 C ATOM 84 O GLU A 9 -11.228 1.152 0.514 1.00 0.00 O ATOM 85 CB GLU A 9 -13.424 2.194 -1.762 1.00 0.00 C ATOM 86 CG GLU A 9 -13.883 3.566 -2.226 1.00 0.00 C ATOM 87 CD GLU A 9 -15.394 3.692 -2.272 1.00 0.00 C ATOM 88 OE1 GLU A 9 -16.044 3.419 -1.241 1.00 0.00 O ATOM 89 OE2 GLU A 9 -15.925 4.062 -3.339 1.00 0.00 O ATOM 0 H GLU A 9 -11.915 1.806 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.527 3.006 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.759 1.446 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.905 1.961 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.479 4.326 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.475 3.765 -3.217 1.00 0.00 H new ATOM 96 N GLN A 10 -11.686 -0.294 -1.148 1.00 0.00 N ATOM 97 CA GLN A 10 -11.399 -1.477 -0.345 1.00 0.00 C ATOM 98 C GLN A 10 -10.019 -1.378 0.296 1.00 0.00 C ATOM 99 O GLN A 10 -9.849 -1.684 1.476 1.00 0.00 O ATOM 100 CB GLN A 10 -11.485 -2.738 -1.208 1.00 0.00 C ATOM 101 CG GLN A 10 -12.895 -3.290 -1.339 1.00 0.00 C ATOM 102 CD GLN A 10 -13.238 -4.281 -0.244 1.00 0.00 C ATOM 103 OE1 GLN A 10 -14.265 -4.156 0.423 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.377 -5.274 -0.053 1.00 0.00 N ATOM 0 H GLN A 10 -11.971 -0.493 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.144 -1.537 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.097 -2.515 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.841 -3.506 -0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.608 -2.466 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.003 -3.775 -2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.538 -5.339 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.555 -5.971 0.670 1.00 0.00 H new ATOM 113 N ILE A 11 -9.036 -0.950 -0.490 1.00 0.00 N ATOM 114 CA ILE A 11 -7.671 -0.811 0.002 1.00 0.00 C ATOM 115 C ILE A 11 -7.570 0.309 1.032 1.00 0.00 C ATOM 116 O ILE A 11 -6.951 0.146 2.083 1.00 0.00 O ATOM 117 CB ILE A 11 -6.685 -0.527 -1.147 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.686 -1.686 -2.147 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.286 -0.295 -0.598 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.053 -2.949 -1.608 1.00 0.00 C ATOM 0 H ILE A 11 -9.160 -0.694 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.406 -1.758 0.471 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.005 0.376 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.713 -1.901 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.155 -1.379 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.600 -0.096 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.298 0.559 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.956 -1.182 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.089 -3.728 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.015 -2.750 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.598 -3.281 -0.724 1.00 0.00 H new ATOM 132 N VAL A 12 -8.184 1.447 0.724 1.00 0.00 N ATOM 133 CA VAL A 12 -8.166 2.594 1.624 1.00 0.00 C ATOM 134 C VAL A 12 -8.683 2.215 3.007 1.00 0.00 C ATOM 135 O VAL A 12 -8.049 2.508 4.021 1.00 0.00 O ATOM 136 CB VAL A 12 -9.014 3.755 1.071 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.049 4.909 2.060 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.475 4.212 -0.276 1.00 0.00 C ATOM 0 H VAL A 12 -8.700 1.599 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.128 2.918 1.703 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.035 3.401 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.653 5.720 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.485 4.570 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.035 5.266 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.085 5.033 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.445 4.549 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.508 3.382 -0.982 1.00 0.00 H new ATOM 148 N THR A 13 -9.840 1.561 3.041 1.00 0.00 N ATOM 149 CA THR A 13 -10.443 1.142 4.300 1.00 0.00 C ATOM 150 C THR A 13 -9.598 0.075 4.987 1.00 0.00 C ATOM 151 O THR A 13 -9.481 0.057 6.212 1.00 0.00 O ATOM 152 CB THR A 13 -11.867 0.593 4.085 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.683 1.583 3.450 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.495 0.185 5.409 1.00 0.00 C ATOM 0 H THR A 13 -10.378 1.310 2.211 1.00 0.00 H new ATOM 0 HA THR A 13 -10.494 2.026 4.936 1.00 0.00 H new ATOM 0 HB THR A 13 -11.800 -0.287 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.422 1.667 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.500 -0.199 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.887 -0.590 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.549 1.051 6.068 1.00 0.00 H new ATOM 162 N TRP A 14 -9.012 -0.811 4.191 1.00 0.00 N ATOM 163 CA TRP A 14 -8.176 -1.881 4.724 1.00 0.00 C ATOM 164 C TRP A 14 -7.013 -1.314 5.530 1.00 0.00 C ATOM 165 O TRP A 14 -6.855 -1.622 6.712 1.00 0.00 O ATOM 166 CB TRP A 14 -7.646 -2.757 3.587 1.00 0.00 C ATOM 167 CG TRP A 14 -6.531 -3.665 4.007 1.00 0.00 C ATOM 168 CD1 TRP A 14 -6.434 -4.355 5.182 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.353 -3.981 3.256 1.00 0.00 C ATOM 170 NE1 TRP A 14 -5.267 -5.081 5.207 1.00 0.00 N ATOM 171 CE2 TRP A 14 -4.587 -4.869 4.037 1.00 0.00 C ATOM 172 CE3 TRP A 14 -4.872 -3.602 2.000 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -3.368 -5.381 3.601 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.662 -4.111 1.569 1.00 0.00 C ATOM 175 CH2 TRP A 14 -2.921 -4.993 2.367 1.00 0.00 C ATOM 0 H TRP A 14 -9.100 -0.810 3.175 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.789 -2.491 5.387 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.464 -3.358 3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.298 -2.117 2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.167 -4.333 5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.958 -5.680 5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.436 -2.923 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.795 -6.060 4.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.281 -3.824 0.600 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -1.979 -5.374 2.001 1.00 0.00 H new ATOM 186 N LEU A 15 -6.201 -0.484 4.885 1.00 0.00 N ATOM 187 CA LEU A 15 -5.051 0.127 5.542 1.00 0.00 C ATOM 188 C LEU A 15 -5.467 0.811 6.841 1.00 0.00 C ATOM 189 O LEU A 15 -5.087 0.379 7.930 1.00 0.00 O ATOM 190 CB LEU A 15 -4.385 1.141 4.610 1.00 0.00 C ATOM 191 CG LEU A 15 -3.888 0.595 3.271 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.753 1.718 2.254 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.561 -0.128 3.449 1.00 0.00 C ATOM 0 H LEU A 15 -6.318 -0.219 3.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.338 -0.662 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.095 1.943 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.540 1.586 5.135 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.621 -0.120 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.398 1.311 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.723 2.192 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.041 2.457 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.223 -0.510 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.819 0.565 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.689 -0.958 4.144 1.00 0.00 H new ATOM 205 N ILE A 16 -6.249 1.877 6.718 1.00 0.00 N ATOM 206 CA ILE A 16 -6.719 2.618 7.883 1.00 0.00 C ATOM 207 C ILE A 16 -7.122 1.673 9.009 1.00 0.00 C ATOM 208 O ILE A 16 -6.614 1.771 10.127 1.00 0.00 O ATOM 209 CB ILE A 16 -7.918 3.519 7.531 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.516 4.548 6.472 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.443 4.212 8.779 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.695 5.243 5.827 1.00 0.00 C ATOM 0 H ILE A 16 -6.571 2.248 5.824 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.890 3.243 8.215 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.715 2.897 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.870 5.296 6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.930 4.052 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.290 4.845 8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.762 3.463 9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.654 4.825 9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.336 5.958 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.330 4.504 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.270 5.768 6.590 1.00 0.00 H new ATOM 224 N SER A 17 -8.036 0.756 8.708 1.00 0.00 N ATOM 225 CA SER A 17 -8.508 -0.206 9.696 1.00 0.00 C ATOM 226 C SER A 17 -7.346 -0.762 10.512 1.00 0.00 C ATOM 227 O SER A 17 -7.395 -0.793 11.743 1.00 0.00 O ATOM 228 CB SER A 17 -9.256 -1.350 9.008 1.00 0.00 C ATOM 229 OG SER A 17 -9.773 -2.266 9.957 1.00 0.00 O ATOM 0 H SER A 17 -8.464 0.659 7.787 1.00 0.00 H new ATOM 0 HA SER A 17 -9.190 0.310 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.071 -0.946 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.583 -1.870 8.326 1.00 0.00 H new ATOM 0 HG SER A 17 -10.248 -2.986 9.492 1.00 0.00 H new ATOM 235 N LEU A 18 -6.301 -1.200 9.819 1.00 0.00 N ATOM 236 CA LEU A 18 -5.124 -1.755 10.479 1.00 0.00 C ATOM 237 C LEU A 18 -4.509 -0.742 11.439 1.00 0.00 C ATOM 238 O LEU A 18 -3.984 -1.107 12.490 1.00 0.00 O ATOM 239 CB LEU A 18 -4.087 -2.184 9.439 1.00 0.00 C ATOM 240 CG LEU A 18 -4.396 -3.471 8.674 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.440 -3.639 7.503 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.320 -4.675 9.603 1.00 0.00 C ATOM 0 H LEU A 18 -6.244 -1.182 8.801 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.437 -2.627 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.970 -1.375 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.127 -2.305 9.941 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.411 -3.403 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.675 -4.560 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.543 -2.792 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.416 -3.685 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.543 -5.582 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.318 -4.746 10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.045 -4.559 10.408 1.00 0.00 H new ATOM 254 N GLY A 19 -4.580 0.533 11.071 1.00 0.00 N ATOM 255 CA GLY A 19 -4.029 1.580 11.912 1.00 0.00 C ATOM 256 C GLY A 19 -2.703 2.102 11.393 1.00 0.00 C ATOM 257 O GLY A 19 -1.860 2.555 12.168 1.00 0.00 O ATOM 0 H GLY A 19 -5.009 0.860 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.741 2.403 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.894 1.196 12.923 1.00 0.00 H new ATOM 261 N VAL A 20 -2.517 2.037 10.079 1.00 0.00 N ATOM 262 CA VAL A 20 -1.284 2.506 9.458 1.00 0.00 C ATOM 263 C VAL A 20 -1.521 3.785 8.662 1.00 0.00 C ATOM 264 O VAL A 20 -0.637 4.635 8.554 1.00 0.00 O ATOM 265 CB VAL A 20 -0.684 1.438 8.524 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.328 0.183 9.307 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.650 1.115 7.395 1.00 0.00 C ATOM 0 H VAL A 20 -3.204 1.664 9.424 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.581 2.709 10.266 1.00 0.00 H new ATOM 0 HB VAL A 20 0.231 1.836 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.094 -0.560 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.403 0.430 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.226 -0.221 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.210 0.359 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.583 0.737 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.850 2.018 6.818 1.00 0.00 H new ATOM 277 N LEU A 21 -2.721 3.915 8.107 1.00 0.00 N ATOM 278 CA LEU A 21 -3.076 5.091 7.321 1.00 0.00 C ATOM 279 C LEU A 21 -4.063 5.974 8.077 1.00 0.00 C ATOM 280 O LEU A 21 -4.992 5.478 8.714 1.00 0.00 O ATOM 281 CB LEU A 21 -3.677 4.670 5.978 1.00 0.00 C ATOM 282 CG LEU A 21 -4.096 5.805 5.044 1.00 0.00 C ATOM 283 CD1 LEU A 21 -2.899 6.675 4.691 1.00 0.00 C ATOM 284 CD2 LEU A 21 -4.743 5.248 3.784 1.00 0.00 C ATOM 0 H LEU A 21 -3.464 3.221 8.187 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.167 5.665 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.950 4.047 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.549 4.046 6.173 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.829 6.424 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.216 7.478 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.479 7.103 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.143 6.068 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.035 6.070 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.032 4.606 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.626 4.668 4.054 1.00 0.00 H new ATOM 296 N GLU A 22 -3.856 7.285 8.001 1.00 0.00 N ATOM 297 CA GLU A 22 -4.729 8.237 8.679 1.00 0.00 C ATOM 298 C GLU A 22 -6.032 8.424 7.907 1.00 0.00 C ATOM 299 O GLU A 22 -6.046 8.397 6.676 1.00 0.00 O ATOM 300 CB GLU A 22 -4.022 9.584 8.843 1.00 0.00 C ATOM 301 CG GLU A 22 -3.682 10.257 7.524 1.00 0.00 C ATOM 302 CD GLU A 22 -2.694 11.396 7.688 1.00 0.00 C ATOM 303 OE1 GLU A 22 -1.475 11.125 7.700 1.00 0.00 O ATOM 304 OE2 GLU A 22 -3.139 12.556 7.805 1.00 0.00 O ATOM 0 H GLU A 22 -3.092 7.712 7.477 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.965 7.837 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.657 10.249 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.105 9.436 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.268 9.517 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.596 10.637 7.068 1.00 0.00 H new ATOM 436 N PRO A 31 -10.621 8.882 -4.770 1.00 0.00 N ATOM 437 CA PRO A 31 -9.849 7.857 -4.062 1.00 0.00 C ATOM 438 C PRO A 31 -8.676 7.339 -4.888 1.00 0.00 C ATOM 439 O PRO A 31 -7.613 7.035 -4.349 1.00 0.00 O ATOM 440 CB PRO A 31 -10.872 6.742 -3.828 1.00 0.00 C ATOM 441 CG PRO A 31 -11.881 6.920 -4.909 1.00 0.00 C ATOM 442 CD PRO A 31 -11.954 8.400 -5.167 1.00 0.00 C ATOM 0 HA PRO A 31 -9.402 8.244 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.405 5.759 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.329 6.825 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.587 6.381 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.852 6.528 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.163 8.615 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.743 8.872 -4.581 1.00 0.00 H new ATOM 450 N GLU A 32 -8.878 7.244 -6.198 1.00 0.00 N ATOM 451 CA GLU A 32 -7.836 6.763 -7.098 1.00 0.00 C ATOM 452 C GLU A 32 -6.534 7.529 -6.881 1.00 0.00 C ATOM 453 O GLU A 32 -5.500 6.939 -6.572 1.00 0.00 O ATOM 454 CB GLU A 32 -8.285 6.900 -8.554 1.00 0.00 C ATOM 455 CG GLU A 32 -7.329 6.264 -9.548 1.00 0.00 C ATOM 456 CD GLU A 32 -7.384 6.921 -10.913 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.393 6.729 -11.624 1.00 0.00 O ATOM 458 OE2 GLU A 32 -6.418 7.628 -11.272 1.00 0.00 O ATOM 0 H GLU A 32 -9.753 7.493 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.659 5.710 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.269 6.444 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.394 7.958 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.312 6.327 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.567 5.205 -9.649 1.00 0.00 H new ATOM 465 N GLU A 33 -6.595 8.846 -7.047 1.00 0.00 N ATOM 466 CA GLU A 33 -5.421 9.693 -6.871 1.00 0.00 C ATOM 467 C GLU A 33 -4.927 9.644 -5.428 1.00 0.00 C ATOM 468 O GLU A 33 -3.736 9.461 -5.174 1.00 0.00 O ATOM 469 CB GLU A 33 -5.742 11.136 -7.263 1.00 0.00 C ATOM 470 CG GLU A 33 -5.973 11.325 -8.753 1.00 0.00 C ATOM 471 CD GLU A 33 -6.689 12.622 -9.073 1.00 0.00 C ATOM 472 OE1 GLU A 33 -7.480 13.087 -8.225 1.00 0.00 O ATOM 473 OE2 GLU A 33 -6.461 13.172 -10.170 1.00 0.00 O ATOM 0 H GLU A 33 -7.444 9.350 -7.303 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.631 9.315 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.631 11.461 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.922 11.781 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.014 11.307 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.557 10.488 -9.135 1.00 0.00 H new ATOM 480 N PHE A 34 -5.850 9.811 -4.487 1.00 0.00 N ATOM 481 CA PHE A 34 -5.509 9.788 -3.069 1.00 0.00 C ATOM 482 C PHE A 34 -4.587 8.615 -2.750 1.00 0.00 C ATOM 483 O PHE A 34 -3.504 8.795 -2.193 1.00 0.00 O ATOM 484 CB PHE A 34 -6.778 9.701 -2.219 1.00 0.00 C ATOM 485 CG PHE A 34 -6.509 9.666 -0.742 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.204 10.828 -0.052 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.561 8.471 -0.043 1.00 0.00 C ATOM 488 CE1 PHE A 34 -5.955 10.798 1.307 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.314 8.435 1.317 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.011 9.600 1.993 1.00 0.00 C ATOM 0 H PHE A 34 -6.840 9.964 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.984 10.714 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.416 10.556 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.333 8.806 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.160 11.768 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.797 7.556 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.717 11.711 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.358 7.497 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.818 9.575 3.055 1.00 0.00 H new ATOM 500 N LEU A 35 -5.026 7.412 -3.106 1.00 0.00 N ATOM 501 CA LEU A 35 -4.242 6.207 -2.858 1.00 0.00 C ATOM 502 C LEU A 35 -2.862 6.314 -3.498 1.00 0.00 C ATOM 503 O LEU A 35 -1.847 6.020 -2.865 1.00 0.00 O ATOM 504 CB LEU A 35 -4.974 4.978 -3.400 1.00 0.00 C ATOM 505 CG LEU A 35 -5.996 4.337 -2.460 1.00 0.00 C ATOM 506 CD1 LEU A 35 -7.048 3.579 -3.254 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.303 3.412 -1.470 1.00 0.00 C ATOM 0 H LEU A 35 -5.920 7.245 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.115 6.101 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.484 5.261 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.232 4.225 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.493 5.129 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.767 3.129 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.565 4.267 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.567 2.796 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.045 2.965 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.779 2.625 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.587 3.983 -0.878 1.00 0.00 H new ATOM 519 N LYS A 36 -2.830 6.740 -4.756 1.00 0.00 N ATOM 520 CA LYS A 36 -1.575 6.890 -5.482 1.00 0.00 C ATOM 521 C LYS A 36 -0.601 7.773 -4.709 1.00 0.00 C ATOM 522 O LYS A 36 0.589 7.472 -4.619 1.00 0.00 O ATOM 523 CB LYS A 36 -1.831 7.487 -6.868 1.00 0.00 C ATOM 524 CG LYS A 36 -2.656 6.589 -7.773 1.00 0.00 C ATOM 525 CD LYS A 36 -3.171 7.344 -8.987 1.00 0.00 C ATOM 526 CE LYS A 36 -2.175 7.297 -10.136 1.00 0.00 C ATOM 527 NZ LYS A 36 -1.186 8.407 -10.059 1.00 0.00 N ATOM 0 H LYS A 36 -3.660 6.988 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.130 5.901 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.343 8.443 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.874 7.693 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.050 5.744 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.497 6.181 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.120 6.914 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.367 8.381 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.650 6.342 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.711 7.353 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.816 8.609 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.648 9.258 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.402 8.130 -9.434 1.00 0.00 H new ATOM 541 N SER A 37 -1.115 8.864 -4.150 1.00 0.00 N ATOM 542 CA SER A 37 -0.290 9.793 -3.385 1.00 0.00 C ATOM 543 C SER A 37 0.103 9.189 -2.040 1.00 0.00 C ATOM 544 O SER A 37 1.170 9.487 -1.502 1.00 0.00 O ATOM 545 CB SER A 37 -1.037 11.110 -3.167 1.00 0.00 C ATOM 546 OG SER A 37 -1.217 11.803 -4.390 1.00 0.00 O ATOM 0 H SER A 37 -2.099 9.127 -4.212 1.00 0.00 H new ATOM 0 HA SER A 37 0.618 9.989 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.007 10.910 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.481 11.736 -2.469 1.00 0.00 H new ATOM 0 HG SER A 37 -1.698 12.640 -4.224 1.00 0.00 H new ATOM 552 N SER A 38 -0.766 8.340 -1.503 1.00 0.00 N ATOM 553 CA SER A 38 -0.513 7.696 -0.219 1.00 0.00 C ATOM 554 C SER A 38 0.529 6.591 -0.362 1.00 0.00 C ATOM 555 O SER A 38 1.351 6.377 0.531 1.00 0.00 O ATOM 556 CB SER A 38 -1.810 7.119 0.351 1.00 0.00 C ATOM 557 OG SER A 38 -1.747 7.020 1.763 1.00 0.00 O ATOM 0 H SER A 38 -1.652 8.081 -1.937 1.00 0.00 H new ATOM 0 HA SER A 38 -0.127 8.449 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.650 7.752 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.993 6.134 -0.078 1.00 0.00 H new ATOM 0 HG SER A 38 -1.862 6.084 2.031 1.00 0.00 H new ATOM 563 N LEU A 39 0.489 5.892 -1.490 1.00 0.00 N ATOM 564 CA LEU A 39 1.430 4.807 -1.752 1.00 0.00 C ATOM 565 C LEU A 39 2.651 5.317 -2.511 1.00 0.00 C ATOM 566 O LEU A 39 3.712 4.693 -2.492 1.00 0.00 O ATOM 567 CB LEU A 39 0.747 3.695 -2.549 1.00 0.00 C ATOM 568 CG LEU A 39 -0.532 3.121 -1.940 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.259 2.247 -2.951 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.215 2.330 -0.680 1.00 0.00 C ATOM 0 H LEU A 39 -0.184 6.056 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 39 1.762 4.407 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.512 4.079 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.459 2.881 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.186 3.950 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.167 1.847 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.520 2.843 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.611 1.424 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.138 1.929 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.459 1.509 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.261 2.984 0.050 1.00 0.00 H new ATOM 582 N LYS A 40 2.494 6.456 -3.177 1.00 0.00 N ATOM 583 CA LYS A 40 3.584 7.053 -3.940 1.00 0.00 C ATOM 584 C LYS A 40 4.922 6.832 -3.241 1.00 0.00 C ATOM 585 O LYS A 40 5.724 6.001 -3.664 1.00 0.00 O ATOM 586 CB LYS A 40 3.339 8.551 -4.132 1.00 0.00 C ATOM 587 CG LYS A 40 4.568 9.315 -4.592 1.00 0.00 C ATOM 588 CD LYS A 40 4.252 10.779 -4.848 1.00 0.00 C ATOM 589 CE LYS A 40 3.761 11.002 -6.271 1.00 0.00 C ATOM 590 NZ LYS A 40 2.290 10.804 -6.387 1.00 0.00 N ATOM 0 H LYS A 40 1.622 6.984 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 40 3.619 6.569 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.541 8.689 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.988 8.976 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.350 9.237 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.959 8.862 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.493 11.117 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.143 11.381 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.018 12.012 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.274 10.315 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.909 11.449 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.093 9.821 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.839 11.004 -5.471 1.00 0.00 H new ATOM 604 N ASN A 41 5.155 7.581 -2.168 1.00 0.00 N ATOM 605 CA ASN A 41 6.396 7.466 -1.410 1.00 0.00 C ATOM 606 C ASN A 41 6.729 6.004 -1.131 1.00 0.00 C ATOM 607 O ASN A 41 7.822 5.534 -1.443 1.00 0.00 O ATOM 608 CB ASN A 41 6.287 8.237 -0.093 1.00 0.00 C ATOM 609 CG ASN A 41 4.879 8.222 0.471 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.047 7.406 0.072 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.606 9.126 1.404 1.00 0.00 N ATOM 0 H ASN A 41 4.501 8.274 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 41 7.200 7.895 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.972 7.804 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.601 9.269 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.676 9.164 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.326 9.783 1.704 1.00 0.00 H new ATOM 618 N GLY A 42 5.777 5.288 -0.539 1.00 0.00 N ATOM 619 CA GLY A 42 5.987 3.887 -0.227 1.00 0.00 C ATOM 620 C GLY A 42 6.027 3.624 1.265 1.00 0.00 C ATOM 621 O GLY A 42 6.032 2.473 1.701 1.00 0.00 O ATOM 0 H GLY A 42 4.864 5.654 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.190 3.295 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.923 3.554 -0.676 1.00 0.00 H new ATOM 625 N VAL A 43 6.058 4.695 2.052 1.00 0.00 N ATOM 626 CA VAL A 43 6.098 4.576 3.505 1.00 0.00 C ATOM 627 C VAL A 43 4.847 3.884 4.034 1.00 0.00 C ATOM 628 O VAL A 43 4.933 2.934 4.813 1.00 0.00 O ATOM 629 CB VAL A 43 6.233 5.954 4.178 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.112 6.880 3.729 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.241 5.809 5.692 1.00 0.00 C ATOM 0 H VAL A 43 6.056 5.655 1.708 1.00 0.00 H new ATOM 0 HA VAL A 43 6.973 3.974 3.749 1.00 0.00 H new ATOM 0 HB VAL A 43 7.181 6.396 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.224 7.849 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.158 7.009 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.150 6.446 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.337 6.793 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.310 5.346 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.082 5.184 5.993 1.00 0.00 H new ATOM 641 N VAL A 44 3.685 4.365 3.606 1.00 0.00 N ATOM 642 CA VAL A 44 2.415 3.792 4.035 1.00 0.00 C ATOM 643 C VAL A 44 2.379 2.289 3.788 1.00 0.00 C ATOM 644 O VAL A 44 1.558 1.573 4.363 1.00 0.00 O ATOM 645 CB VAL A 44 1.228 4.450 3.307 1.00 0.00 C ATOM 646 CG1 VAL A 44 -0.045 3.645 3.526 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.047 5.886 3.773 1.00 0.00 C ATOM 0 H VAL A 44 3.597 5.151 2.962 1.00 0.00 H new ATOM 0 HA VAL A 44 2.327 3.983 5.104 1.00 0.00 H new ATOM 0 HB VAL A 44 1.442 4.464 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.873 4.125 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.092 2.635 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.267 3.597 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.204 6.335 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.855 5.899 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.952 6.455 3.559 1.00 0.00 H new ATOM 657 N LEU A 45 3.275 1.814 2.930 1.00 0.00 N ATOM 658 CA LEU A 45 3.347 0.394 2.606 1.00 0.00 C ATOM 659 C LEU A 45 4.291 -0.334 3.557 1.00 0.00 C ATOM 660 O LEU A 45 3.968 -1.408 4.066 1.00 0.00 O ATOM 661 CB LEU A 45 3.813 0.203 1.161 1.00 0.00 C ATOM 662 CG LEU A 45 2.856 0.697 0.076 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.604 0.936 -1.227 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.724 -0.298 -0.131 1.00 0.00 C ATOM 0 H LEU A 45 3.962 2.392 2.446 1.00 0.00 H new ATOM 0 HA LEU A 45 2.349 -0.030 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.767 0.716 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.999 -0.859 0.998 1.00 0.00 H new ATOM 0 HG LEU A 45 2.425 1.643 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.907 1.287 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.378 1.687 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.064 0.005 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.053 0.071 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.136 -1.260 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.170 -0.418 0.800 1.00 0.00 H new ATOM 676 N CYS A 46 5.456 0.257 3.794 1.00 0.00 N ATOM 677 CA CYS A 46 6.447 -0.334 4.686 1.00 0.00 C ATOM 678 C CYS A 46 5.845 -0.612 6.060 1.00 0.00 C ATOM 679 O CYS A 46 6.264 -1.535 6.758 1.00 0.00 O ATOM 680 CB CYS A 46 7.657 0.591 4.823 1.00 0.00 C ATOM 681 SG CYS A 46 8.637 0.754 3.313 1.00 0.00 S ATOM 0 H CYS A 46 5.738 1.146 3.381 1.00 0.00 H new ATOM 0 HA CYS A 46 6.770 -1.281 4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.313 1.579 5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.298 0.217 5.621 1.00 0.00 H new ATOM 0 HG CYS A 46 7.938 1.370 2.406 1.00 0.00 H new ATOM 687 N LYS A 47 4.861 0.194 6.442 1.00 0.00 N ATOM 688 CA LYS A 47 4.200 0.037 7.732 1.00 0.00 C ATOM 689 C LYS A 47 3.134 -1.052 7.669 1.00 0.00 C ATOM 690 O LYS A 47 2.914 -1.777 8.640 1.00 0.00 O ATOM 691 CB LYS A 47 3.567 1.360 8.169 1.00 0.00 C ATOM 692 CG LYS A 47 4.582 2.431 8.528 1.00 0.00 C ATOM 693 CD LYS A 47 3.904 3.697 9.027 1.00 0.00 C ATOM 694 CE LYS A 47 4.831 4.512 9.916 1.00 0.00 C ATOM 695 NZ LYS A 47 4.731 4.103 11.344 1.00 0.00 N ATOM 0 H LYS A 47 4.503 0.963 5.876 1.00 0.00 H new ATOM 0 HA LYS A 47 4.953 -0.258 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.929 1.730 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.923 1.178 9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.257 2.052 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.191 2.663 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.589 4.302 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.004 3.434 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.859 4.392 9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.586 5.570 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.378 4.682 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.756 4.241 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.990 3.100 11.437 1.00 0.00 H new ATOM 709 N LEU A 48 2.477 -1.164 6.520 1.00 0.00 N ATOM 710 CA LEU A 48 1.435 -2.167 6.329 1.00 0.00 C ATOM 711 C LEU A 48 2.008 -3.576 6.442 1.00 0.00 C ATOM 712 O LEU A 48 1.652 -4.331 7.347 1.00 0.00 O ATOM 713 CB LEU A 48 0.766 -1.983 4.966 1.00 0.00 C ATOM 714 CG LEU A 48 -0.068 -3.162 4.463 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.271 -3.388 5.365 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.512 -2.927 3.027 1.00 0.00 C ATOM 0 H LEU A 48 2.647 -0.573 5.706 1.00 0.00 H new ATOM 0 HA LEU A 48 0.689 -2.035 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.123 -1.104 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.541 -1.771 4.229 1.00 0.00 H new ATOM 0 HG LEU A 48 0.552 -4.058 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.853 -4.231 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.931 -3.602 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.893 -2.493 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.104 -3.776 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.115 -2.020 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.365 -2.816 2.389 1.00 0.00 H new ATOM 728 N ILE A 49 2.898 -3.922 5.518 1.00 0.00 N ATOM 729 CA ILE A 49 3.523 -5.239 5.516 1.00 0.00 C ATOM 730 C ILE A 49 4.051 -5.599 6.901 1.00 0.00 C ATOM 731 O ILE A 49 4.179 -6.774 7.241 1.00 0.00 O ATOM 732 CB ILE A 49 4.680 -5.312 4.503 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.167 -6.754 4.354 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.822 -4.404 4.936 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.166 -7.663 3.675 1.00 0.00 C ATOM 0 H ILE A 49 3.202 -3.309 4.762 1.00 0.00 H new ATOM 0 HA ILE A 49 2.752 -5.953 5.226 1.00 0.00 H new ATOM 0 HB ILE A 49 4.316 -4.969 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.095 -6.758 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.398 -7.155 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.632 -4.467 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.467 -3.375 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.186 -4.719 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.578 -8.669 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.245 -7.689 4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.953 -7.286 2.675 1.00 0.00 H new ATOM 747 N ASN A 50 4.355 -4.578 7.696 1.00 0.00 N ATOM 748 CA ASN A 50 4.869 -4.787 9.045 1.00 0.00 C ATOM 749 C ASN A 50 3.772 -5.304 9.971 1.00 0.00 C ATOM 750 O ASN A 50 4.015 -6.163 10.819 1.00 0.00 O ATOM 751 CB ASN A 50 5.448 -3.484 9.600 1.00 0.00 C ATOM 752 CG ASN A 50 6.886 -3.262 9.174 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.533 -4.163 8.640 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.394 -2.058 9.409 1.00 0.00 N ATOM 0 H ASN A 50 4.254 -3.599 7.430 1.00 0.00 H new ATOM 0 HA ASN A 50 5.660 -5.536 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.838 -2.646 9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.393 -3.500 10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.357 -1.850 9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.821 -1.341 9.854 1.00 0.00 H new ATOM 761 N ARG A 51 2.564 -4.776 9.801 1.00 0.00 N ATOM 762 CA ARG A 51 1.430 -5.184 10.621 1.00 0.00 C ATOM 763 C ARG A 51 0.937 -6.570 10.217 1.00 0.00 C ATOM 764 O ARG A 51 0.280 -7.259 10.998 1.00 0.00 O ATOM 765 CB ARG A 51 0.292 -4.170 10.495 1.00 0.00 C ATOM 766 CG ARG A 51 -0.760 -4.295 11.586 1.00 0.00 C ATOM 767 CD ARG A 51 -0.421 -3.429 12.788 1.00 0.00 C ATOM 768 NE ARG A 51 0.512 -4.092 13.695 1.00 0.00 N ATOM 769 CZ ARG A 51 1.189 -3.457 14.646 1.00 0.00 C ATOM 770 NH1 ARG A 51 1.037 -2.151 14.814 1.00 0.00 N ATOM 771 NH2 ARG A 51 2.020 -4.130 15.432 1.00 0.00 N ATOM 0 H ARG A 51 2.346 -4.065 9.103 1.00 0.00 H new ATOM 0 HA ARG A 51 1.760 -5.223 11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.710 -3.163 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.187 -4.294 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.733 -4.005 11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.841 -5.336 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.012 -2.489 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.336 -3.182 13.326 1.00 0.00 H new ATOM 0 HE ARG A 51 0.652 -5.097 13.593 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.399 -1.630 14.212 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.558 -1.667 15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.139 -5.135 15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.539 -3.642 16.162 1.00 0.00 H new ATOM 785 N LEU A 52 1.259 -6.973 8.993 1.00 0.00 N ATOM 786 CA LEU A 52 0.849 -8.277 8.484 1.00 0.00 C ATOM 787 C LEU A 52 1.825 -9.364 8.924 1.00 0.00 C ATOM 788 O LEU A 52 1.420 -10.396 9.460 1.00 0.00 O ATOM 789 CB LEU A 52 0.757 -8.246 6.958 1.00 0.00 C ATOM 790 CG LEU A 52 -0.091 -7.123 6.359 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.059 -7.089 4.846 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.552 -7.293 6.749 1.00 0.00 C ATOM 0 H LEU A 52 1.803 -6.415 8.334 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.134 -8.507 8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.767 -8.166 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.353 -9.200 6.619 1.00 0.00 H new ATOM 0 HG LEU A 52 0.263 -6.173 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.552 -6.284 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.104 -6.919 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.268 -8.040 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.141 -6.485 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.919 -8.250 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.644 -7.266 7.835 1.00 0.00 H new ATOM 804 N MET A 53 3.112 -9.125 8.695 1.00 0.00 N ATOM 805 CA MET A 53 4.146 -10.083 9.070 1.00 0.00 C ATOM 806 C MET A 53 5.145 -9.453 10.035 1.00 0.00 C ATOM 807 O MET A 53 5.593 -8.321 9.850 1.00 0.00 O ATOM 808 CB MET A 53 4.873 -10.595 7.826 1.00 0.00 C ATOM 809 CG MET A 53 4.007 -11.468 6.932 1.00 0.00 C ATOM 810 SD MET A 53 3.713 -13.103 7.634 1.00 0.00 S ATOM 811 CE MET A 53 4.006 -14.143 6.206 1.00 0.00 C ATOM 0 H MET A 53 3.464 -8.276 8.252 1.00 0.00 H new ATOM 0 HA MET A 53 3.664 -10.923 9.570 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.233 -9.743 7.249 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.750 -11.164 8.136 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.051 -10.972 6.762 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.488 -11.575 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.863 -15.188 6.481 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.307 -13.877 5.413 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.027 -13.998 5.853 1.00 0.00 H new ATOM 821 N PRO A 54 5.505 -10.201 11.088 1.00 0.00 N ATOM 822 CA PRO A 54 6.456 -9.735 12.102 1.00 0.00 C ATOM 823 C PRO A 54 7.878 -9.638 11.562 1.00 0.00 C ATOM 824 O PRO A 54 8.556 -10.650 11.384 1.00 0.00 O ATOM 825 CB PRO A 54 6.369 -10.809 13.190 1.00 0.00 C ATOM 826 CG PRO A 54 5.913 -12.035 12.476 1.00 0.00 C ATOM 827 CD PRO A 54 5.011 -11.559 11.371 1.00 0.00 C ATOM 0 HA PRO A 54 6.217 -8.732 12.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.335 -10.966 13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.667 -10.523 13.974 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.760 -12.591 12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.382 -12.705 13.152 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.077 -12.202 10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.966 -11.550 11.681 1.00 0.00 H new ATOM 835 N GLY A 55 8.326 -8.414 11.301 1.00 0.00 N ATOM 836 CA GLY A 55 9.666 -8.208 10.784 1.00 0.00 C ATOM 837 C GLY A 55 9.707 -8.199 9.269 1.00 0.00 C ATOM 838 O GLY A 55 10.460 -8.957 8.657 1.00 0.00 O ATOM 0 H GLY A 55 7.784 -7.561 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.056 -7.263 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.321 -8.995 11.158 1.00 0.00 H new ATOM 842 N SER A 56 8.895 -7.340 8.661 1.00 0.00 N ATOM 843 CA SER A 56 8.838 -7.239 7.208 1.00 0.00 C ATOM 844 C SER A 56 9.835 -6.205 6.695 1.00 0.00 C ATOM 845 O SER A 56 10.688 -6.508 5.860 1.00 0.00 O ATOM 846 CB SER A 56 7.424 -6.868 6.756 1.00 0.00 C ATOM 847 OG SER A 56 6.453 -7.664 7.414 1.00 0.00 O ATOM 0 H SER A 56 8.267 -6.704 9.153 1.00 0.00 H new ATOM 0 HA SER A 56 9.102 -8.211 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.237 -5.815 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.337 -7.000 5.678 1.00 0.00 H new ATOM 0 HG SER A 56 5.660 -7.121 7.605 1.00 0.00 H new ATOM 853 N VAL A 57 9.722 -4.981 7.201 1.00 0.00 N ATOM 854 CA VAL A 57 10.613 -3.901 6.796 1.00 0.00 C ATOM 855 C VAL A 57 11.626 -3.585 7.890 1.00 0.00 C ATOM 856 O VAL A 57 11.272 -3.475 9.064 1.00 0.00 O ATOM 857 CB VAL A 57 9.826 -2.621 6.455 1.00 0.00 C ATOM 858 CG1 VAL A 57 10.765 -1.430 6.346 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.037 -2.809 5.168 1.00 0.00 C ATOM 0 H VAL A 57 9.022 -4.713 7.892 1.00 0.00 H new ATOM 0 HA VAL A 57 11.139 -4.243 5.905 1.00 0.00 H new ATOM 0 HB VAL A 57 9.120 -2.423 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.191 -0.535 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.281 -1.285 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.497 -1.615 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.487 -1.896 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.722 -3.032 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.336 -3.635 5.289 1.00 0.00 H new ATOM 869 N GLU A 58 12.888 -3.439 7.498 1.00 0.00 N ATOM 870 CA GLU A 58 13.952 -3.135 8.447 1.00 0.00 C ATOM 871 C GLU A 58 13.946 -1.655 8.817 1.00 0.00 C ATOM 872 O GLU A 58 13.767 -1.294 9.980 1.00 0.00 O ATOM 873 CB GLU A 58 15.313 -3.520 7.861 1.00 0.00 C ATOM 874 CG GLU A 58 15.459 -5.007 7.586 1.00 0.00 C ATOM 875 CD GLU A 58 15.563 -5.828 8.857 1.00 0.00 C ATOM 876 OE1 GLU A 58 16.689 -5.975 9.376 1.00 0.00 O ATOM 877 OE2 GLU A 58 14.520 -6.323 9.332 1.00 0.00 O ATOM 0 H GLU A 58 13.198 -3.526 6.530 1.00 0.00 H new ATOM 0 HA GLU A 58 13.775 -3.718 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.468 -2.971 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.097 -3.208 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.603 -5.351 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.347 -5.174 6.976 1.00 0.00 H new ATOM 884 N LYS A 59 14.142 -0.801 7.818 1.00 0.00 N ATOM 885 CA LYS A 59 14.159 0.641 8.036 1.00 0.00 C ATOM 886 C LYS A 59 13.618 1.382 6.817 1.00 0.00 C ATOM 887 O LYS A 59 14.197 1.317 5.732 1.00 0.00 O ATOM 888 CB LYS A 59 15.581 1.115 8.345 1.00 0.00 C ATOM 889 CG LYS A 59 16.160 0.515 9.614 1.00 0.00 C ATOM 890 CD LYS A 59 15.538 1.131 10.856 1.00 0.00 C ATOM 891 CE LYS A 59 16.282 2.386 11.287 1.00 0.00 C ATOM 892 NZ LYS A 59 17.530 2.063 12.032 1.00 0.00 N ATOM 0 H LYS A 59 14.291 -1.083 6.849 1.00 0.00 H new ATOM 0 HA LYS A 59 13.516 0.862 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.229 0.863 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.582 2.201 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.992 -0.562 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.239 0.670 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.494 1.375 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.548 0.404 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.528 2.982 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.632 2.996 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.008 2.945 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.294 1.516 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.162 1.503 11.425 1.00 0.00 H new ATOM 906 N PHE A 60 12.507 2.086 7.002 1.00 0.00 N ATOM 907 CA PHE A 60 11.889 2.839 5.918 1.00 0.00 C ATOM 908 C PHE A 60 11.791 4.320 6.271 1.00 0.00 C ATOM 909 O PHE A 60 11.996 4.710 7.421 1.00 0.00 O ATOM 910 CB PHE A 60 10.496 2.284 5.611 1.00 0.00 C ATOM 911 CG PHE A 60 9.531 2.421 6.754 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.699 1.681 7.913 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.457 3.292 6.669 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.812 1.805 8.965 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.566 3.421 7.719 1.00 0.00 C ATOM 916 CZ PHE A 60 7.745 2.677 8.869 1.00 0.00 C ATOM 0 H PHE A 60 12.016 2.151 7.894 1.00 0.00 H new ATOM 0 HA PHE A 60 12.517 2.735 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.092 2.801 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.584 1.231 5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.533 0.999 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.314 3.877 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.953 1.220 9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.732 4.102 7.640 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.052 2.777 9.691 1.00 0.00 H new ATOM 926 N CYS A 61 11.479 5.141 5.274 1.00 0.00 N ATOM 927 CA CYS A 61 11.356 6.580 5.477 1.00 0.00 C ATOM 928 C CYS A 61 9.937 6.950 5.896 1.00 0.00 C ATOM 929 O CYS A 61 8.972 6.648 5.193 1.00 0.00 O ATOM 930 CB CYS A 61 11.737 7.331 4.201 1.00 0.00 C ATOM 931 SG CYS A 61 12.054 9.094 4.448 1.00 0.00 S ATOM 0 H CYS A 61 11.307 4.834 4.317 1.00 0.00 H new ATOM 0 HA CYS A 61 12.038 6.869 6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.627 6.869 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 61 10.935 7.216 3.471 1.00 0.00 H new ATOM 0 HG CYS A 61 13.274 9.369 4.094 1.00 0.00 H new ATOM 937 N LEU A 62 9.817 7.604 7.046 1.00 0.00 N ATOM 938 CA LEU A 62 8.515 8.015 7.560 1.00 0.00 C ATOM 939 C LEU A 62 8.018 9.268 6.846 1.00 0.00 C ATOM 940 O LEU A 62 6.876 9.323 6.389 1.00 0.00 O ATOM 941 CB LEU A 62 8.597 8.271 9.066 1.00 0.00 C ATOM 942 CG LEU A 62 8.746 7.033 9.950 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.843 7.431 11.415 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.582 6.078 9.731 1.00 0.00 C ATOM 0 H LEU A 62 10.605 7.861 7.640 1.00 0.00 H new ATOM 0 HA LEU A 62 7.807 7.208 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.442 8.933 9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.698 8.806 9.373 1.00 0.00 H new ATOM 0 HG LEU A 62 9.667 6.521 9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.949 6.536 12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.710 8.075 11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.940 7.967 11.707 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.705 5.202 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.647 6.580 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.559 5.766 8.687 1.00 0.00 H new ATOM 956 N ASP A 63 8.883 10.271 6.751 1.00 0.00 N ATOM 957 CA ASP A 63 8.534 11.523 6.090 1.00 0.00 C ATOM 958 C ASP A 63 9.556 11.872 5.013 1.00 0.00 C ATOM 959 O ASP A 63 10.460 12.683 5.220 1.00 0.00 O ATOM 960 CB ASP A 63 8.443 12.657 7.112 1.00 0.00 C ATOM 961 CG ASP A 63 7.202 12.558 7.978 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.096 12.828 7.464 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.337 12.209 9.169 1.00 0.00 O ATOM 0 H ASP A 63 9.832 10.242 7.124 1.00 0.00 H new ATOM 0 HA ASP A 63 7.561 11.395 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.328 12.641 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.443 13.614 6.590 1.00 0.00 H new ATOM 968 N PRO A 64 9.414 11.247 3.835 1.00 0.00 N ATOM 969 CA PRO A 64 10.316 11.476 2.703 1.00 0.00 C ATOM 970 C PRO A 64 10.146 12.865 2.097 1.00 0.00 C ATOM 971 O PRO A 64 9.115 13.167 1.497 1.00 0.00 O ATOM 972 CB PRO A 64 9.902 10.399 1.696 1.00 0.00 C ATOM 973 CG PRO A 64 8.482 10.095 2.029 1.00 0.00 C ATOM 974 CD PRO A 64 8.360 10.269 3.518 1.00 0.00 C ATOM 0 HA PRO A 64 11.363 11.422 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.000 10.757 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.528 9.511 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.805 10.766 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.220 9.079 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.373 10.636 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.513 9.328 4.046 1.00 0.00 H new ATOM 982 N GLN A 65 11.163 13.704 2.258 1.00 0.00 N ATOM 983 CA GLN A 65 11.125 15.062 1.727 1.00 0.00 C ATOM 984 C GLN A 65 11.623 15.096 0.286 1.00 0.00 C ATOM 985 O GLN A 65 11.235 15.965 -0.496 1.00 0.00 O ATOM 986 CB GLN A 65 11.971 15.996 2.594 1.00 0.00 C ATOM 987 CG GLN A 65 11.549 17.454 2.508 1.00 0.00 C ATOM 988 CD GLN A 65 12.417 18.363 3.355 1.00 0.00 C ATOM 989 OE1 GLN A 65 13.619 18.135 3.501 1.00 0.00 O ATOM 990 NE2 GLN A 65 11.812 19.401 3.920 1.00 0.00 N ATOM 0 H GLN A 65 12.024 13.468 2.752 1.00 0.00 H new ATOM 0 HA GLN A 65 10.090 15.403 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.910 15.669 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.015 15.910 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.593 17.780 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.511 17.547 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.814 19.552 3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.345 20.047 4.502 1.00 0.00 H new ATOM 999 N THR A 66 12.484 14.145 -0.061 1.00 0.00 N ATOM 1000 CA THR A 66 13.037 14.067 -1.407 1.00 0.00 C ATOM 1001 C THR A 66 12.524 12.833 -2.141 1.00 0.00 C ATOM 1002 O THR A 66 11.931 11.942 -1.535 1.00 0.00 O ATOM 1003 CB THR A 66 14.576 14.033 -1.382 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.029 12.904 -0.626 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.136 15.312 -0.777 1.00 0.00 C ATOM 0 H THR A 66 12.814 13.417 0.573 1.00 0.00 H new ATOM 0 HA THR A 66 12.710 14.963 -1.935 1.00 0.00 H new ATOM 0 HB THR A 66 14.932 13.949 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.009 12.889 -0.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.225 15.265 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.814 16.167 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.771 15.422 0.244 1.00 0.00 H new ATOM 1013 N GLU A 67 12.759 12.788 -3.449 1.00 0.00 N ATOM 1014 CA GLU A 67 12.320 11.662 -4.265 1.00 0.00 C ATOM 1015 C GLU A 67 13.111 10.402 -3.924 1.00 0.00 C ATOM 1016 O GLU A 67 12.557 9.305 -3.867 1.00 0.00 O ATOM 1017 CB GLU A 67 12.477 11.989 -5.752 1.00 0.00 C ATOM 1018 CG GLU A 67 12.217 10.804 -6.666 1.00 0.00 C ATOM 1019 CD GLU A 67 13.461 9.973 -6.912 1.00 0.00 C ATOM 1020 OE1 GLU A 67 13.794 9.132 -6.051 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.102 10.164 -7.967 1.00 0.00 O ATOM 0 H GLU A 67 13.250 13.517 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 67 11.267 11.479 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.791 12.795 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.487 12.359 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.444 10.173 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.830 11.163 -7.620 1.00 0.00 H new ATOM 1028 N ALA A 68 14.410 10.569 -3.697 1.00 0.00 N ATOM 1029 CA ALA A 68 15.277 9.447 -3.361 1.00 0.00 C ATOM 1030 C ALA A 68 14.805 8.751 -2.089 1.00 0.00 C ATOM 1031 O ALA A 68 14.925 7.533 -1.955 1.00 0.00 O ATOM 1032 CB ALA A 68 16.715 9.920 -3.203 1.00 0.00 C ATOM 0 H ALA A 68 14.885 11.471 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 68 15.230 8.726 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.352 9.072 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.056 10.366 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.769 10.662 -2.406 1.00 0.00 H new ATOM 1038 N ASP A 69 14.269 9.532 -1.157 1.00 0.00 N ATOM 1039 CA ASP A 69 13.778 8.990 0.105 1.00 0.00 C ATOM 1040 C ASP A 69 12.465 8.240 -0.100 1.00 0.00 C ATOM 1041 O ASP A 69 12.111 7.363 0.689 1.00 0.00 O ATOM 1042 CB ASP A 69 13.584 10.112 1.125 1.00 0.00 C ATOM 1043 CG ASP A 69 14.876 10.488 1.825 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.946 10.385 1.190 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.816 10.885 3.007 1.00 0.00 O ATOM 0 H ASP A 69 14.164 10.542 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 69 14.521 8.289 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.178 10.990 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.849 9.801 1.867 1.00 0.00 H new ATOM 1050 N CYS A 70 11.749 8.590 -1.162 1.00 0.00 N ATOM 1051 CA CYS A 70 10.474 7.951 -1.470 1.00 0.00 C ATOM 1052 C CYS A 70 10.692 6.590 -2.122 1.00 0.00 C ATOM 1053 O CYS A 70 10.231 5.567 -1.616 1.00 0.00 O ATOM 1054 CB CYS A 70 9.641 8.844 -2.390 1.00 0.00 C ATOM 1055 SG CYS A 70 8.718 10.137 -1.526 1.00 0.00 S ATOM 0 H CYS A 70 12.029 9.313 -1.825 1.00 0.00 H new ATOM 0 HA CYS A 70 9.934 7.803 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.301 9.311 -3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.940 8.221 -2.946 1.00 0.00 H new ATOM 0 HG CYS A 70 8.047 10.841 -2.388 1.00 0.00 H new ATOM 1061 N ILE A 71 11.396 6.586 -3.249 1.00 0.00 N ATOM 1062 CA ILE A 71 11.674 5.351 -3.972 1.00 0.00 C ATOM 1063 C ILE A 71 12.162 4.259 -3.026 1.00 0.00 C ATOM 1064 O ILE A 71 11.784 3.095 -3.157 1.00 0.00 O ATOM 1065 CB ILE A 71 12.728 5.568 -5.074 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.208 6.558 -6.119 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.092 4.243 -5.727 1.00 0.00 C ATOM 1068 CD1 ILE A 71 10.829 6.218 -6.640 1.00 0.00 C ATOM 0 H ILE A 71 11.784 7.424 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 71 10.737 5.038 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 71 13.627 5.986 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.187 7.557 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.906 6.591 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.838 4.413 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.499 3.566 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.201 3.799 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.525 6.962 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.849 5.233 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.119 6.214 -5.813 1.00 0.00 H new ATOM 1080 N ASN A 72 13.002 4.643 -2.071 1.00 0.00 N ATOM 1081 CA ASN A 72 13.541 3.696 -1.101 1.00 0.00 C ATOM 1082 C ASN A 72 12.423 2.892 -0.446 1.00 0.00 C ATOM 1083 O ASN A 72 12.451 1.662 -0.441 1.00 0.00 O ATOM 1084 CB ASN A 72 14.347 4.435 -0.030 1.00 0.00 C ATOM 1085 CG ASN A 72 15.774 4.707 -0.465 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.394 3.890 -1.146 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.302 5.861 -0.073 1.00 0.00 N ATOM 0 H ASN A 72 13.324 5.603 -1.948 1.00 0.00 H new ATOM 0 HA ASN A 72 14.198 3.006 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.855 5.379 0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.356 3.845 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.258 6.100 -0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.751 6.508 0.491 1.00 0.00 H new ATOM 1094 N ASN A 73 11.438 3.595 0.104 1.00 0.00 N ATOM 1095 CA ASN A 73 10.309 2.947 0.761 1.00 0.00 C ATOM 1096 C ASN A 73 9.745 1.826 -0.108 1.00 0.00 C ATOM 1097 O ASN A 73 9.796 0.653 0.264 1.00 0.00 O ATOM 1098 CB ASN A 73 9.214 3.970 1.067 1.00 0.00 C ATOM 1099 CG ASN A 73 9.679 5.041 2.036 1.00 0.00 C ATOM 1100 OD1 ASN A 73 10.710 4.895 2.691 1.00 0.00 O ATOM 1101 ND2 ASN A 73 8.916 6.124 2.129 1.00 0.00 N ATOM 0 H ASN A 73 11.399 4.614 0.108 1.00 0.00 H new ATOM 0 HA ASN A 73 10.664 2.515 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.889 4.440 0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.348 3.457 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.177 6.879 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.069 6.201 1.566 1.00 0.00 H new ATOM 1108 N ILE A 74 9.208 2.196 -1.265 1.00 0.00 N ATOM 1109 CA ILE A 74 8.636 1.222 -2.187 1.00 0.00 C ATOM 1110 C ILE A 74 9.472 -0.053 -2.229 1.00 0.00 C ATOM 1111 O ILE A 74 8.990 -1.134 -1.894 1.00 0.00 O ATOM 1112 CB ILE A 74 8.523 1.795 -3.612 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.534 2.962 -3.639 1.00 0.00 C ATOM 1114 CG2 ILE A 74 8.094 0.708 -4.587 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.606 3.786 -4.906 1.00 0.00 C ATOM 0 H ILE A 74 9.157 3.163 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 74 7.638 0.987 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 74 9.502 2.165 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.522 2.573 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.725 3.609 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.018 1.128 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.831 -0.095 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.125 0.311 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.878 4.595 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.607 4.205 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.386 3.152 -5.765 1.00 0.00 H new ATOM 1127 N ASN A 75 10.728 0.083 -2.641 1.00 0.00 N ATOM 1128 CA ASN A 75 11.633 -1.058 -2.724 1.00 0.00 C ATOM 1129 C ASN A 75 11.520 -1.934 -1.481 1.00 0.00 C ATOM 1130 O ASN A 75 11.197 -3.119 -1.571 1.00 0.00 O ATOM 1131 CB ASN A 75 13.076 -0.580 -2.896 1.00 0.00 C ATOM 1132 CG ASN A 75 13.401 -0.227 -4.334 1.00 0.00 C ATOM 1133 OD1 ASN A 75 14.096 -0.971 -5.026 1.00 0.00 O ATOM 1134 ND2 ASN A 75 12.898 0.914 -4.792 1.00 0.00 N ATOM 0 H ASN A 75 11.142 0.971 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 75 11.349 -1.653 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.245 0.292 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.757 -1.359 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.083 1.204 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.327 1.500 -4.183 1.00 0.00 H new ATOM 1141 N ASP A 76 11.787 -1.343 -0.321 1.00 0.00 N ATOM 1142 CA ASP A 76 11.714 -2.069 0.941 1.00 0.00 C ATOM 1143 C ASP A 76 10.394 -2.824 1.059 1.00 0.00 C ATOM 1144 O ASP A 76 10.376 -4.047 1.205 1.00 0.00 O ATOM 1145 CB ASP A 76 11.870 -1.105 2.118 1.00 0.00 C ATOM 1146 CG ASP A 76 13.321 -0.767 2.402 1.00 0.00 C ATOM 1147 OD1 ASP A 76 14.112 -1.704 2.636 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.664 0.433 2.390 1.00 0.00 O ATOM 0 H ASP A 76 12.056 -0.363 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 76 12.529 -2.793 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.321 -0.187 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.422 -1.547 3.008 1.00 0.00 H new ATOM 1153 N PHE A 77 9.289 -2.088 0.994 1.00 0.00 N ATOM 1154 CA PHE A 77 7.964 -2.688 1.094 1.00 0.00 C ATOM 1155 C PHE A 77 7.873 -3.953 0.245 1.00 0.00 C ATOM 1156 O PHE A 77 7.369 -4.982 0.696 1.00 0.00 O ATOM 1157 CB PHE A 77 6.893 -1.687 0.655 1.00 0.00 C ATOM 1158 CG PHE A 77 5.648 -2.337 0.123 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.820 -3.068 0.959 1.00 0.00 C ATOM 1160 CD2 PHE A 77 5.305 -2.216 -1.215 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.673 -3.666 0.473 1.00 0.00 C ATOM 1162 CE2 PHE A 77 4.159 -2.812 -1.707 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.343 -3.539 -0.862 1.00 0.00 C ATOM 0 H PHE A 77 9.285 -1.075 0.873 1.00 0.00 H new ATOM 0 HA PHE A 77 7.793 -2.959 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.629 -1.054 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.309 -1.035 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.074 -3.172 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.940 -1.650 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.036 -4.232 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.902 -2.709 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.448 -4.007 -1.245 1.00 0.00 H new ATOM 1173 N LEU A 78 8.364 -3.867 -0.986 1.00 0.00 N ATOM 1174 CA LEU A 78 8.338 -5.004 -1.900 1.00 0.00 C ATOM 1175 C LEU A 78 9.109 -6.186 -1.321 1.00 0.00 C ATOM 1176 O LEU A 78 8.619 -7.315 -1.309 1.00 0.00 O ATOM 1177 CB LEU A 78 8.930 -4.608 -3.254 1.00 0.00 C ATOM 1178 CG LEU A 78 8.156 -3.551 -4.042 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.032 -2.948 -5.129 1.00 0.00 C ATOM 1180 CD2 LEU A 78 6.894 -4.151 -4.643 1.00 0.00 C ATOM 0 H LEU A 78 8.785 -3.023 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 78 7.299 -5.304 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.943 -4.241 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.010 -5.504 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 78 7.864 -2.756 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.464 -2.198 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.906 -2.481 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.355 -3.733 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.356 -3.384 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.163 -4.966 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.257 -4.534 -3.845 1.00 0.00 H new ATOM 1192 N LYS A 79 10.318 -5.918 -0.840 1.00 0.00 N ATOM 1193 CA LYS A 79 11.157 -6.958 -0.255 1.00 0.00 C ATOM 1194 C LYS A 79 10.335 -7.885 0.634 1.00 0.00 C ATOM 1195 O LYS A 79 10.612 -9.080 0.726 1.00 0.00 O ATOM 1196 CB LYS A 79 12.292 -6.329 0.556 1.00 0.00 C ATOM 1197 CG LYS A 79 13.159 -5.375 -0.247 1.00 0.00 C ATOM 1198 CD LYS A 79 14.413 -4.984 0.517 1.00 0.00 C ATOM 1199 CE LYS A 79 15.443 -6.103 0.509 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.391 -5.992 1.652 1.00 0.00 N ATOM 0 H LYS A 79 10.739 -4.989 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 79 11.582 -7.547 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.867 -5.793 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.920 -7.122 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.438 -5.843 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.587 -4.480 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.845 -4.087 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.151 -4.737 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.934 -7.066 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.999 -6.078 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.077 -6.773 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.896 -5.084 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.863 -6.041 2.547 1.00 0.00 H new ATOM 1214 N GLY A 80 9.320 -7.325 1.286 1.00 0.00 N ATOM 1215 CA GLY A 80 8.472 -8.117 2.158 1.00 0.00 C ATOM 1216 C GLY A 80 7.359 -8.818 1.404 1.00 0.00 C ATOM 1217 O GLY A 80 6.956 -9.924 1.767 1.00 0.00 O ATOM 0 H GLY A 80 9.070 -6.338 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.080 -8.859 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.039 -7.472 2.922 1.00 0.00 H new ATOM 1221 N CYS A 81 6.861 -8.174 0.355 1.00 0.00 N ATOM 1222 CA CYS A 81 5.786 -8.742 -0.451 1.00 0.00 C ATOM 1223 C CYS A 81 6.218 -10.063 -1.081 1.00 0.00 C ATOM 1224 O CYS A 81 5.462 -11.034 -1.091 1.00 0.00 O ATOM 1225 CB CYS A 81 5.363 -7.758 -1.542 1.00 0.00 C ATOM 1226 SG CYS A 81 4.505 -6.292 -0.921 1.00 0.00 S ATOM 0 H CYS A 81 7.184 -7.258 0.042 1.00 0.00 H new ATOM 0 HA CYS A 81 4.937 -8.933 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.248 -7.441 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.714 -8.274 -2.250 1.00 0.00 H new ATOM 0 HG CYS A 81 4.573 -5.342 -1.806 1.00 0.00 H new ATOM 1232 N ALA A 82 7.438 -10.091 -1.606 1.00 0.00 N ATOM 1233 CA ALA A 82 7.971 -11.292 -2.238 1.00 0.00 C ATOM 1234 C ALA A 82 7.700 -12.526 -1.385 1.00 0.00 C ATOM 1235 O ALA A 82 7.498 -13.623 -1.907 1.00 0.00 O ATOM 1236 CB ALA A 82 9.463 -11.138 -2.489 1.00 0.00 C ATOM 0 H ALA A 82 8.076 -9.296 -1.606 1.00 0.00 H new ATOM 0 HA ALA A 82 7.465 -11.425 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.848 -12.042 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.635 -10.285 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.977 -10.977 -1.541 1.00 0.00 H new ATOM 1242 N THR A 83 7.699 -12.342 -0.068 1.00 0.00 N ATOM 1243 CA THR A 83 7.455 -13.441 0.857 1.00 0.00 C ATOM 1244 C THR A 83 6.108 -14.100 0.586 1.00 0.00 C ATOM 1245 O THR A 83 5.982 -15.324 0.639 1.00 0.00 O ATOM 1246 CB THR A 83 7.494 -12.962 2.321 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.841 -12.661 2.702 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.923 -14.021 3.252 1.00 0.00 C ATOM 0 H THR A 83 7.865 -11.441 0.382 1.00 0.00 H new ATOM 0 HA THR A 83 8.251 -14.169 0.699 1.00 0.00 H new ATOM 0 HB THR A 83 6.884 -12.062 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.857 -12.356 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.961 -13.660 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.888 -14.227 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.510 -14.935 3.166 1.00 0.00 H new ATOM 1256 N LEU A 84 5.103 -13.282 0.294 1.00 0.00 N ATOM 1257 CA LEU A 84 3.763 -13.786 0.013 1.00 0.00 C ATOM 1258 C LEU A 84 3.685 -14.371 -1.394 1.00 0.00 C ATOM 1259 O LEU A 84 2.686 -14.986 -1.765 1.00 0.00 O ATOM 1260 CB LEU A 84 2.732 -12.667 0.169 1.00 0.00 C ATOM 1261 CG LEU A 84 2.536 -12.128 1.587 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.078 -10.679 1.549 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.537 -12.986 2.350 1.00 0.00 C ATOM 0 H LEU A 84 5.190 -12.267 0.246 1.00 0.00 H new ATOM 0 HA LEU A 84 3.542 -14.578 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.024 -11.838 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.772 -13.032 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 84 3.493 -12.171 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.944 -10.313 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.829 -10.073 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.132 -10.610 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.410 -12.588 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.578 -12.976 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.907 -14.010 2.409 1.00 0.00 H new ATOM 1275 N GLN A 85 4.747 -14.176 -2.169 1.00 0.00 N ATOM 1276 CA GLN A 85 4.799 -14.686 -3.534 1.00 0.00 C ATOM 1277 C GLN A 85 3.632 -14.153 -4.360 1.00 0.00 C ATOM 1278 O GLN A 85 3.086 -14.857 -5.210 1.00 0.00 O ATOM 1279 CB GLN A 85 4.779 -16.216 -3.531 1.00 0.00 C ATOM 1280 CG GLN A 85 5.858 -16.836 -2.659 1.00 0.00 C ATOM 1281 CD GLN A 85 7.231 -16.780 -3.299 1.00 0.00 C ATOM 1282 OE1 GLN A 85 7.580 -15.801 -3.960 1.00 0.00 O ATOM 1283 NE2 GLN A 85 8.018 -17.831 -3.107 1.00 0.00 N ATOM 0 H GLN A 85 5.582 -13.669 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 85 5.729 -14.342 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.803 -16.558 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.899 -16.575 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.887 -16.318 -1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.600 -17.875 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.688 -18.621 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.953 -17.849 -3.514 1.00 0.00 H new ATOM 1292 N VAL A 86 3.254 -12.905 -4.103 1.00 0.00 N ATOM 1293 CA VAL A 86 2.153 -12.276 -4.822 1.00 0.00 C ATOM 1294 C VAL A 86 2.669 -11.338 -5.907 1.00 0.00 C ATOM 1295 O VAL A 86 3.833 -10.939 -5.893 1.00 0.00 O ATOM 1296 CB VAL A 86 1.237 -11.486 -3.868 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.616 -12.413 -2.834 1.00 0.00 C ATOM 1298 CG2 VAL A 86 2.013 -10.364 -3.194 1.00 0.00 C ATOM 0 H VAL A 86 3.694 -12.309 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 86 1.578 -13.079 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 86 0.431 -11.040 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.028 -11.837 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.025 -13.177 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.405 -12.890 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.351 -9.816 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.840 -10.786 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.404 -9.686 -3.952 1.00 0.00 H new ATOM 1308 N GLU A 87 1.795 -10.989 -6.845 1.00 0.00 N ATOM 1309 CA GLU A 87 2.164 -10.096 -7.938 1.00 0.00 C ATOM 1310 C GLU A 87 2.840 -8.836 -7.407 1.00 0.00 C ATOM 1311 O GLU A 87 2.465 -8.313 -6.357 1.00 0.00 O ATOM 1312 CB GLU A 87 0.928 -9.719 -8.757 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.171 -9.065 -7.935 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.552 -9.300 -8.515 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -1.677 -9.330 -9.757 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -2.507 -9.454 -7.726 1.00 0.00 O ATOM 0 H GLU A 87 0.827 -11.310 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 87 2.870 -10.622 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.225 -9.040 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.530 -10.616 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.138 -9.453 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.016 -7.993 -7.874 1.00 0.00 H new ATOM 1323 N ILE A 88 3.838 -8.354 -8.140 1.00 0.00 N ATOM 1324 CA ILE A 88 4.566 -7.155 -7.743 1.00 0.00 C ATOM 1325 C ILE A 88 4.518 -6.095 -8.838 1.00 0.00 C ATOM 1326 O ILE A 88 3.908 -6.299 -9.888 1.00 0.00 O ATOM 1327 CB ILE A 88 6.037 -7.472 -7.416 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.713 -8.152 -8.609 1.00 0.00 C ATOM 1329 CG2 ILE A 88 6.127 -8.352 -6.178 1.00 0.00 C ATOM 1330 CD1 ILE A 88 8.201 -7.893 -8.689 1.00 0.00 C ATOM 0 H ILE A 88 4.161 -8.775 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 88 4.077 -6.771 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 88 6.558 -6.536 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.542 -9.227 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.242 -7.806 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.173 -8.567 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.679 -7.834 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.594 -9.286 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.613 -8.405 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.379 -6.822 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.684 -8.265 -7.786 1.00 0.00 H new ATOM 1342 N PHE A 89 5.167 -4.962 -8.587 1.00 0.00 N ATOM 1343 CA PHE A 89 5.199 -3.870 -9.551 1.00 0.00 C ATOM 1344 C PHE A 89 6.470 -3.041 -9.393 1.00 0.00 C ATOM 1345 O PHE A 89 7.179 -3.157 -8.392 1.00 0.00 O ATOM 1346 CB PHE A 89 3.969 -2.975 -9.382 1.00 0.00 C ATOM 1347 CG PHE A 89 3.821 -2.416 -7.995 1.00 0.00 C ATOM 1348 CD1 PHE A 89 3.128 -3.118 -7.022 1.00 0.00 C ATOM 1349 CD2 PHE A 89 4.375 -1.190 -7.665 1.00 0.00 C ATOM 1350 CE1 PHE A 89 2.989 -2.606 -5.746 1.00 0.00 C ATOM 1351 CE2 PHE A 89 4.240 -0.673 -6.390 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.547 -1.382 -5.429 1.00 0.00 C ATOM 0 H PHE A 89 5.678 -4.777 -7.724 1.00 0.00 H new ATOM 0 HA PHE A 89 5.190 -4.303 -10.551 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.029 -2.151 -10.093 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.076 -3.547 -9.632 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.692 -4.076 -7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.919 -0.632 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.445 -3.162 -4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.676 0.284 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.441 -0.981 -4.432 1.00 0.00 H new ATOM 1362 N ASP A 90 6.753 -2.206 -10.387 1.00 0.00 N ATOM 1363 CA ASP A 90 7.938 -1.357 -10.358 1.00 0.00 C ATOM 1364 C ASP A 90 7.667 -0.070 -9.586 1.00 0.00 C ATOM 1365 O ASP A 90 6.533 0.402 -9.498 1.00 0.00 O ATOM 1366 CB ASP A 90 8.389 -1.027 -11.782 1.00 0.00 C ATOM 1367 CG ASP A 90 9.135 -2.175 -12.434 1.00 0.00 C ATOM 1368 OD1 ASP A 90 8.699 -3.334 -12.270 1.00 0.00 O ATOM 1369 OD2 ASP A 90 10.155 -1.915 -13.106 1.00 0.00 O ATOM 0 H ASP A 90 6.178 -2.099 -11.223 1.00 0.00 H new ATOM 0 HA ASP A 90 8.733 -1.903 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.518 -0.774 -12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.030 -0.146 -11.762 1.00 0.00 H new ATOM 1374 N PRO A 91 8.730 0.512 -9.012 1.00 0.00 N ATOM 1375 CA PRO A 91 8.632 1.752 -8.237 1.00 0.00 C ATOM 1376 C PRO A 91 8.320 2.961 -9.113 1.00 0.00 C ATOM 1377 O PRO A 91 7.986 4.034 -8.611 1.00 0.00 O ATOM 1378 CB PRO A 91 10.021 1.890 -7.610 1.00 0.00 C ATOM 1379 CG PRO A 91 10.926 1.142 -8.527 1.00 0.00 C ATOM 1380 CD PRO A 91 10.111 0.004 -9.077 1.00 0.00 C ATOM 0 HA PRO A 91 7.823 1.713 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.316 2.936 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.044 1.473 -6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.288 1.786 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.802 0.773 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.401 -0.242 -10.099 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.234 -0.902 -8.484 1.00 0.00 H new ATOM 1388 N ASP A 92 8.432 2.779 -10.425 1.00 0.00 N ATOM 1389 CA ASP A 92 8.160 3.854 -11.371 1.00 0.00 C ATOM 1390 C ASP A 92 6.667 3.955 -11.666 1.00 0.00 C ATOM 1391 O ASP A 92 6.107 5.050 -11.718 1.00 0.00 O ATOM 1392 CB ASP A 92 8.935 3.627 -12.670 1.00 0.00 C ATOM 1393 CG ASP A 92 10.431 3.536 -12.444 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.066 4.593 -12.250 1.00 0.00 O ATOM 1395 OD2 ASP A 92 10.967 2.408 -12.462 1.00 0.00 O ATOM 0 H ASP A 92 8.709 1.897 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 92 8.487 4.791 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.585 2.709 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.724 4.442 -13.362 1.00 0.00 H new ATOM 1400 N ASP A 93 6.028 2.806 -11.858 1.00 0.00 N ATOM 1401 CA ASP A 93 4.600 2.765 -12.148 1.00 0.00 C ATOM 1402 C ASP A 93 3.796 3.378 -11.006 1.00 0.00 C ATOM 1403 O ASP A 93 2.860 4.146 -11.233 1.00 0.00 O ATOM 1404 CB ASP A 93 4.148 1.324 -12.390 1.00 0.00 C ATOM 1405 CG ASP A 93 4.461 0.415 -11.218 1.00 0.00 C ATOM 1406 OD1 ASP A 93 3.881 0.626 -10.132 1.00 0.00 O ATOM 1407 OD2 ASP A 93 5.287 -0.508 -11.385 1.00 0.00 O ATOM 0 H ASP A 93 6.477 1.891 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 93 4.421 3.350 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.075 1.310 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.636 0.939 -13.285 1.00 0.00 H new ATOM 1412 N LEU A 94 4.166 3.033 -9.777 1.00 0.00 N ATOM 1413 CA LEU A 94 3.478 3.548 -8.598 1.00 0.00 C ATOM 1414 C LEU A 94 3.773 5.032 -8.401 1.00 0.00 C ATOM 1415 O LEU A 94 2.858 5.844 -8.264 1.00 0.00 O ATOM 1416 CB LEU A 94 3.899 2.763 -7.354 1.00 0.00 C ATOM 1417 CG LEU A 94 3.731 3.485 -6.017 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.339 4.087 -5.906 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.996 2.532 -4.860 1.00 0.00 C ATOM 0 H LEU A 94 4.938 2.399 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 94 2.406 3.426 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.323 1.838 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.946 2.482 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 94 4.459 4.295 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.238 4.597 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.186 4.801 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.593 3.295 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.872 3.063 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.292 1.701 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.014 2.149 -4.930 1.00 0.00 H new ATOM 1431 N TYR A 95 5.056 5.378 -8.390 1.00 0.00 N ATOM 1432 CA TYR A 95 5.471 6.764 -8.209 1.00 0.00 C ATOM 1433 C TYR A 95 4.911 7.650 -9.318 1.00 0.00 C ATOM 1434 O TYR A 95 4.084 8.527 -9.069 1.00 0.00 O ATOM 1435 CB TYR A 95 6.998 6.862 -8.186 1.00 0.00 C ATOM 1436 CG TYR A 95 7.512 8.203 -7.714 1.00 0.00 C ATOM 1437 CD1 TYR A 95 7.596 9.282 -8.586 1.00 0.00 C ATOM 1438 CD2 TYR A 95 7.913 8.392 -6.398 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.065 10.510 -8.159 1.00 0.00 C ATOM 1440 CE2 TYR A 95 8.383 9.616 -5.962 1.00 0.00 C ATOM 1441 CZ TYR A 95 8.457 10.671 -6.847 1.00 0.00 C ATOM 1442 OH TYR A 95 8.925 11.892 -6.417 1.00 0.00 O ATOM 0 H TYR A 95 5.826 4.718 -8.504 1.00 0.00 H new ATOM 0 HA TYR A 95 5.076 7.113 -7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.394 6.082 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.381 6.668 -9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.290 9.159 -9.614 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.856 7.567 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.124 11.339 -8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.690 9.746 -4.935 1.00 0.00 H new ATOM 0 HH TYR A 95 9.158 11.837 -5.467 1.00 0.00 H new ATOM 1452 N SER A 96 5.367 7.413 -10.544 1.00 0.00 N ATOM 1453 CA SER A 96 4.915 8.190 -11.691 1.00 0.00 C ATOM 1454 C SER A 96 3.410 8.036 -11.893 1.00 0.00 C ATOM 1455 O SER A 96 2.709 9.005 -12.179 1.00 0.00 O ATOM 1456 CB SER A 96 5.657 7.752 -12.955 1.00 0.00 C ATOM 1457 OG SER A 96 7.036 8.068 -12.871 1.00 0.00 O ATOM 0 H SER A 96 6.049 6.689 -10.768 1.00 0.00 H new ATOM 0 HA SER A 96 5.133 9.240 -11.495 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.535 6.679 -13.099 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.221 8.242 -13.825 1.00 0.00 H new ATOM 0 HG SER A 96 7.489 7.777 -13.690 1.00 0.00 H new ATOM 1463 N GLY A 97 2.922 6.809 -11.741 1.00 0.00 N ATOM 1464 CA GLY A 97 1.504 6.548 -11.910 1.00 0.00 C ATOM 1465 C GLY A 97 1.164 6.075 -13.309 1.00 0.00 C ATOM 1466 O GLY A 97 0.072 6.337 -13.813 1.00 0.00 O ATOM 0 H GLY A 97 3.483 5.991 -11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.188 5.795 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.942 7.456 -11.690 1.00 0.00 H new ATOM 1470 N VAL A 98 2.103 5.377 -13.940 1.00 0.00 N ATOM 1471 CA VAL A 98 1.897 4.866 -15.290 1.00 0.00 C ATOM 1472 C VAL A 98 0.918 3.698 -15.293 1.00 0.00 C ATOM 1473 O VAL A 98 -0.052 3.689 -16.050 1.00 0.00 O ATOM 1474 CB VAL A 98 3.224 4.410 -15.926 1.00 0.00 C ATOM 1475 CG1 VAL A 98 2.988 3.872 -17.329 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.225 5.556 -15.947 1.00 0.00 C ATOM 0 H VAL A 98 3.013 5.153 -13.538 1.00 0.00 H new ATOM 0 HA VAL A 98 1.483 5.685 -15.878 1.00 0.00 H new ATOM 0 HB VAL A 98 3.639 3.605 -15.320 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.937 3.555 -17.762 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.308 3.021 -17.283 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.550 4.654 -17.949 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.157 5.217 -16.399 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.819 6.383 -16.529 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.417 5.890 -14.927 1.00 0.00 H new ATOM 1486 N ASN A 99 1.178 2.713 -14.440 1.00 0.00 N ATOM 1487 CA ASN A 99 0.319 1.538 -14.344 1.00 0.00 C ATOM 1488 C ASN A 99 -0.137 1.314 -12.905 1.00 0.00 C ATOM 1489 O ASN A 99 0.507 0.593 -12.143 1.00 0.00 O ATOM 1490 CB ASN A 99 1.055 0.298 -14.855 1.00 0.00 C ATOM 1491 CG ASN A 99 0.105 -0.780 -15.338 1.00 0.00 C ATOM 1492 OD1 ASN A 99 -0.822 -1.170 -14.628 1.00 0.00 O ATOM 1493 ND2 ASN A 99 0.332 -1.269 -16.552 1.00 0.00 N ATOM 0 H ASN A 99 1.976 2.705 -13.805 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.561 1.711 -14.964 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.720 0.584 -15.670 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.681 -0.104 -14.058 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.274 -1.997 -16.930 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.112 -0.916 -17.106 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.253 1.937 -12.540 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.796 1.807 -11.193 1.00 0.00 C ATOM 1502 C PHE A 100 -2.561 0.496 -11.040 1.00 0.00 C ATOM 1503 O PHE A 100 -2.437 -0.193 -10.028 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.716 2.988 -10.875 1.00 0.00 C ATOM 1505 CG PHE A 100 -2.997 3.150 -9.408 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -1.976 3.453 -8.523 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.284 3.000 -8.916 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.232 3.602 -7.173 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.546 3.148 -7.567 1.00 0.00 C ATOM 1510 CZ PHE A 100 -3.519 3.450 -6.694 1.00 0.00 C ATOM 0 H PHE A 100 -1.799 2.537 -13.158 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.963 1.805 -10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.262 3.904 -11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.659 2.857 -11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.968 3.574 -8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.091 2.765 -9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.427 3.837 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.553 3.028 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.722 3.567 -5.640 1.00 0.00 H new ATOM 1520 N SER A 101 -3.354 0.158 -12.052 1.00 0.00 N ATOM 1521 CA SER A 101 -4.144 -1.067 -12.029 1.00 0.00 C ATOM 1522 C SER A 101 -3.352 -2.212 -11.403 1.00 0.00 C ATOM 1523 O SER A 101 -3.910 -3.060 -10.707 1.00 0.00 O ATOM 1524 CB SER A 101 -4.576 -1.447 -13.447 1.00 0.00 C ATOM 1525 OG SER A 101 -3.493 -1.992 -14.181 1.00 0.00 O ATOM 0 H SER A 101 -3.466 0.716 -12.898 1.00 0.00 H new ATOM 0 HA SER A 101 -5.031 -0.887 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.389 -2.171 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.962 -0.567 -13.961 1.00 0.00 H new ATOM 0 HG SER A 101 -2.712 -1.406 -14.096 1.00 0.00 H new ATOM 1531 N LYS A 102 -2.048 -2.228 -11.655 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.177 -3.266 -11.117 1.00 0.00 C ATOM 1533 C LYS A 102 -0.871 -3.010 -9.644 1.00 0.00 C ATOM 1534 O LYS A 102 -1.107 -3.867 -8.793 1.00 0.00 O ATOM 1535 CB LYS A 102 0.127 -3.331 -11.915 1.00 0.00 C ATOM 1536 CG LYS A 102 0.061 -4.263 -13.113 1.00 0.00 C ATOM 1537 CD LYS A 102 1.448 -4.677 -13.575 1.00 0.00 C ATOM 1538 CE LYS A 102 2.010 -5.798 -12.716 1.00 0.00 C ATOM 1539 NZ LYS A 102 1.503 -7.132 -13.143 1.00 0.00 N ATOM 0 H LYS A 102 -1.570 -1.533 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.696 -4.221 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.383 -2.329 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.931 -3.657 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.517 -5.150 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.463 -3.769 -13.931 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.405 -5.001 -14.615 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.117 -3.817 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.098 -5.788 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.744 -5.625 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.909 -7.869 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.466 -7.151 -13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.779 -7.309 -14.130 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.346 -1.824 -9.351 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.011 -1.454 -7.981 1.00 0.00 C ATOM 1555 C VAL A 103 -1.164 -1.760 -7.031 1.00 0.00 C ATOM 1556 O VAL A 103 -0.951 -2.193 -5.898 1.00 0.00 O ATOM 1557 CB VAL A 103 0.344 0.041 -7.874 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.671 0.411 -6.436 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.504 0.380 -8.798 1.00 0.00 C ATOM 0 H VAL A 103 -0.144 -1.103 -10.044 1.00 0.00 H new ATOM 0 HA VAL A 103 0.858 -2.048 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.522 0.625 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.919 1.471 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.192 0.207 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.521 -0.179 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.742 1.440 -8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.376 -0.212 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.227 0.155 -9.828 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.386 -1.534 -7.501 1.00 0.00 N ATOM 1570 CA LEU A 104 -3.574 -1.787 -6.694 1.00 0.00 C ATOM 1571 C LEU A 104 -3.762 -3.282 -6.454 1.00 0.00 C ATOM 1572 O LEU A 104 -3.877 -3.728 -5.313 1.00 0.00 O ATOM 1573 CB LEU A 104 -4.813 -1.209 -7.380 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.108 -1.244 -6.567 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -5.958 -0.435 -5.289 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.273 -0.724 -7.397 1.00 0.00 C ATOM 0 H LEU A 104 -2.580 -1.176 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.439 -1.298 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.605 -0.174 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.976 -1.754 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.316 -2.279 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.889 -0.472 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.151 -0.853 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.726 0.600 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.186 -0.756 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.073 0.304 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.395 -1.347 -8.283 1.00 0.00 H new ATOM 1588 N SER A 105 -3.790 -4.051 -7.538 1.00 0.00 N ATOM 1589 CA SER A 105 -3.966 -5.495 -7.446 1.00 0.00 C ATOM 1590 C SER A 105 -2.967 -6.103 -6.466 1.00 0.00 C ATOM 1591 O SER A 105 -3.337 -6.879 -5.584 1.00 0.00 O ATOM 1592 CB SER A 105 -3.801 -6.139 -8.824 1.00 0.00 C ATOM 1593 OG SER A 105 -4.395 -5.341 -9.834 1.00 0.00 O ATOM 0 H SER A 105 -3.693 -3.698 -8.490 1.00 0.00 H new ATOM 0 HA SER A 105 -4.974 -5.690 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.742 -6.276 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.257 -7.129 -8.823 1.00 0.00 H new ATOM 0 HG SER A 105 -3.746 -4.678 -10.151 1.00 0.00 H new ATOM 1599 N THR A 106 -1.697 -5.743 -6.626 1.00 0.00 N ATOM 1600 CA THR A 106 -0.644 -6.253 -5.757 1.00 0.00 C ATOM 1601 C THR A 106 -1.041 -6.144 -4.289 1.00 0.00 C ATOM 1602 O THR A 106 -0.815 -7.067 -3.505 1.00 0.00 O ATOM 1603 CB THR A 106 0.680 -5.496 -5.976 1.00 0.00 C ATOM 1604 OG1 THR A 106 1.258 -5.872 -7.231 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.662 -5.787 -4.852 1.00 0.00 C ATOM 0 H THR A 106 -1.373 -5.101 -7.349 1.00 0.00 H new ATOM 0 HA THR A 106 -0.502 -7.302 -6.015 1.00 0.00 H new ATOM 0 HB THR A 106 0.465 -4.427 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.853 -6.640 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.589 -5.242 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.231 -5.472 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.871 -6.856 -4.819 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.634 -5.013 -3.924 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.064 -4.785 -2.549 1.00 0.00 C ATOM 1615 C LEU A 107 -3.303 -5.612 -2.221 1.00 0.00 C ATOM 1616 O LEU A 107 -3.461 -6.096 -1.099 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.356 -3.300 -2.325 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.135 -2.396 -2.146 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.530 -0.933 -2.277 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.474 -2.653 -0.800 1.00 0.00 C ATOM 0 H LEU A 107 -1.828 -4.240 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.256 -5.095 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.935 -2.932 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.987 -3.203 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.416 -2.629 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.649 -0.305 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.957 -0.758 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.268 -0.686 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.393 -2.001 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.186 -2.449 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.155 -3.694 -0.744 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.178 -5.774 -3.207 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.402 -6.546 -3.025 1.00 0.00 C ATOM 1634 C LEU A 108 -5.087 -7.969 -2.574 1.00 0.00 C ATOM 1635 O LEU A 108 -5.756 -8.516 -1.698 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.207 -6.577 -4.325 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.160 -5.403 -4.553 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.689 -5.414 -5.979 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.308 -5.446 -3.556 1.00 0.00 C ATOM 0 H LEU A 108 -4.063 -5.381 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.995 -6.062 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.508 -6.619 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.787 -7.500 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.607 -4.476 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.365 -4.571 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.856 -5.333 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.226 -6.345 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.976 -4.603 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.860 -6.378 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.912 -5.388 -2.542 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.062 -8.562 -3.178 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.655 -9.919 -2.836 1.00 0.00 C ATOM 1653 C ALA A 109 -3.161 -9.997 -1.396 1.00 0.00 C ATOM 1654 O ALA A 109 -3.639 -10.814 -0.608 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.577 -10.404 -3.794 1.00 0.00 C ATOM 0 H ALA A 109 -3.499 -8.124 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.526 -10.568 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.283 -11.419 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.965 -10.395 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.710 -9.746 -3.730 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.200 -9.144 -1.058 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.640 -9.116 0.288 1.00 0.00 C ATOM 1663 C VAL A 110 -2.743 -9.109 1.342 1.00 0.00 C ATOM 1664 O VAL A 110 -2.710 -9.887 2.294 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.739 -7.885 0.497 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.176 -7.867 1.910 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.381 -7.865 -0.533 1.00 0.00 C ATOM 0 H VAL A 110 -1.792 -8.462 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.040 -10.019 0.399 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.343 -6.988 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.458 -6.990 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.996 -7.830 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.414 -8.768 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.009 -6.989 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.984 -8.767 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.047 -7.825 -1.535 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.719 -8.225 1.162 1.00 0.00 N ATOM 1678 CA ASN A 111 -4.833 -8.117 2.098 1.00 0.00 C ATOM 1679 C ASN A 111 -5.568 -9.448 2.225 1.00 0.00 C ATOM 1680 O ASN A 111 -6.035 -9.811 3.305 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.805 -7.026 1.641 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.223 -7.283 2.112 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -7.936 -8.114 1.548 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.640 -6.567 3.150 1.00 0.00 N ATOM 0 H ASN A 111 -3.761 -7.574 0.378 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.430 -7.850 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.468 -6.061 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.792 -6.964 0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.585 -6.695 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.015 -5.889 3.586 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.666 -10.172 1.116 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.342 -11.464 1.102 1.00 0.00 C ATOM 1693 C LYS A 112 -5.526 -12.512 1.852 1.00 0.00 C ATOM 1694 O LYS A 112 -6.006 -13.115 2.812 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.580 -11.922 -0.338 1.00 0.00 C ATOM 1696 CG LYS A 112 -7.418 -13.185 -0.444 1.00 0.00 C ATOM 1697 CD LYS A 112 -6.552 -14.433 -0.403 1.00 0.00 C ATOM 1698 CE LYS A 112 -5.906 -14.708 -1.752 1.00 0.00 C ATOM 1699 NZ LYS A 112 -5.401 -16.105 -1.852 1.00 0.00 N ATOM 0 H LYS A 112 -5.285 -9.886 0.214 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.303 -11.349 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.074 -11.121 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.617 -12.093 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.139 -13.214 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.989 -13.167 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.778 -14.315 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.159 -15.289 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.631 -14.527 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.082 -14.012 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.968 -16.252 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.690 -16.271 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.191 -16.770 -1.729 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.292 -12.723 1.409 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.409 -13.696 2.041 1.00 0.00 C ATOM 1715 C ALA A 113 -3.361 -13.494 3.552 1.00 0.00 C ATOM 1716 O ALA A 113 -3.318 -14.458 4.317 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.010 -13.602 1.450 1.00 0.00 C ATOM 0 H ALA A 113 -3.880 -12.233 0.615 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.808 -14.691 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.362 -14.334 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.053 -13.803 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.612 -12.601 1.615 1.00 0.00 H new ATOM 1723 N THR A 114 -3.369 -12.234 3.976 1.00 0.00 N ATOM 1724 CA THR A 114 -3.324 -11.906 5.395 1.00 0.00 C ATOM 1725 C THR A 114 -4.681 -12.128 6.054 1.00 0.00 C ATOM 1726 O THR A 114 -4.759 -12.510 7.221 1.00 0.00 O ATOM 1727 CB THR A 114 -2.891 -10.445 5.621 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.715 -9.565 4.848 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.432 -10.248 5.237 1.00 0.00 C ATOM 0 H THR A 114 -3.406 -11.424 3.357 1.00 0.00 H new ATOM 0 HA THR A 114 -2.589 -12.570 5.849 1.00 0.00 H new ATOM 0 HB THR A 114 -3.007 -10.214 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.409 -9.564 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.149 -9.209 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.804 -10.898 5.846 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.296 -10.495 4.184 1.00 0.00 H new