USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 13 THR OG1 : rot -114:sc= -0.201 USER MOD Set 1.3: A 51 GLN : amide:sc= -2.78! C(o=-3!,f=-4.3!) USER MOD Single : A 15 THR OG1 : rot -176:sc= -1.28 USER MOD Single : A 20 SER OG : rot -32:sc= 0.399 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.45) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.213) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0264) USER MOD Single : A 39 ASN : amide:sc= -0.0327 K(o=-0.033,f=-3!) USER MOD Single : A 41 ASN : amide:sc= 0.246 K(o=0.25,f=-1.5) USER MOD Single : A 45 MET CE :methyl -164:sc= 0 (180deg=-0.263) USER MOD Single : A 46 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.015) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.662 F(o=-2.5!,f=-0.66) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc=-0.00305 (180deg=-0.122) USER MOD Single : A 56 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -1.690 13.399 -2.769 1.00 0.00 N ATOM 2 CA ILE A 6 -0.707 14.068 -1.870 1.00 0.00 C ATOM 3 C ILE A 6 0.698 13.520 -2.198 1.00 0.00 C ATOM 4 O ILE A 6 0.835 12.372 -2.572 1.00 0.00 O ATOM 5 CB ILE A 6 -1.109 13.769 -0.393 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.688 15.029 0.270 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.084 13.267 0.444 1.00 0.00 C ATOM 8 CD1 ILE A 6 -2.409 14.637 1.560 1.00 0.00 C ATOM 0 HA ILE A 6 -0.700 15.149 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.862 12.981 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.890 15.739 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.380 15.526 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.244 13.072 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.474 12.348 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.867 14.025 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.821 15.529 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.217 13.943 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.704 14.159 2.240 1.00 0.00 H new ATOM 20 N PRO A 7 1.737 14.317 -2.059 1.00 0.00 N ATOM 21 CA PRO A 7 3.122 13.858 -2.351 1.00 0.00 C ATOM 22 C PRO A 7 3.409 12.461 -1.777 1.00 0.00 C ATOM 23 O PRO A 7 2.865 12.059 -0.767 1.00 0.00 O ATOM 24 CB PRO A 7 4.036 14.933 -1.724 1.00 0.00 C ATOM 25 CG PRO A 7 3.130 15.943 -1.071 1.00 0.00 C ATOM 26 CD PRO A 7 1.723 15.724 -1.628 1.00 0.00 C ATOM 0 HA PRO A 7 3.289 13.753 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.711 14.489 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.657 15.405 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.137 15.821 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.472 16.957 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.960 15.904 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.512 16.396 -2.460 1.00 0.00 H new ATOM 34 N ILE A 8 4.251 11.722 -2.442 1.00 0.00 N ATOM 35 CA ILE A 8 4.593 10.348 -2.006 1.00 0.00 C ATOM 36 C ILE A 8 5.650 10.382 -0.877 1.00 0.00 C ATOM 37 O ILE A 8 5.898 9.396 -0.219 1.00 0.00 O ATOM 38 CB ILE A 8 5.158 9.633 -3.240 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.332 8.150 -2.952 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.490 10.254 -3.619 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.026 7.463 -4.132 1.00 0.00 C ATOM 0 H ILE A 8 4.727 12.025 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 8 3.717 9.832 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 8 4.461 9.745 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.921 8.014 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.360 7.690 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.892 9.746 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.348 11.311 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.189 10.152 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.146 6.401 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.421 7.584 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.006 7.914 -4.291 1.00 0.00 H new ATOM 53 N TRP A 9 6.288 11.503 -0.658 1.00 0.00 N ATOM 54 CA TRP A 9 7.340 11.588 0.420 1.00 0.00 C ATOM 55 C TRP A 9 6.706 12.095 1.722 1.00 0.00 C ATOM 56 O TRP A 9 7.165 11.781 2.802 1.00 0.00 O ATOM 57 CB TRP A 9 8.471 12.554 -0.027 1.00 0.00 C ATOM 58 CG TRP A 9 7.955 13.415 -1.128 1.00 0.00 C ATOM 59 CD1 TRP A 9 7.258 14.561 -0.964 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.042 13.186 -2.557 1.00 0.00 C ATOM 61 NE1 TRP A 9 6.917 15.052 -2.207 1.00 0.00 N ATOM 62 CE2 TRP A 9 7.371 14.237 -3.220 1.00 0.00 C ATOM 63 CE3 TRP A 9 8.633 12.176 -3.335 1.00 0.00 C ATOM 64 CZ2 TRP A 9 7.279 14.284 -4.606 1.00 0.00 C ATOM 65 CZ3 TRP A 9 8.537 12.216 -4.732 1.00 0.00 C ATOM 66 CH2 TRP A 9 7.859 13.267 -5.365 1.00 0.00 C ATOM 0 H TRP A 9 6.131 12.368 -1.175 1.00 0.00 H new ATOM 0 HA TRP A 9 7.763 10.598 0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.797 13.168 0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.340 11.989 -0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.009 15.017 -0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.392 15.914 -2.358 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.163 11.367 -2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.764 15.100 -5.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.988 11.433 -5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.785 13.290 -6.442 1.00 0.00 H new ATOM 77 N GLU A 10 5.662 12.883 1.627 1.00 0.00 N ATOM 78 CA GLU A 10 4.999 13.427 2.857 1.00 0.00 C ATOM 79 C GLU A 10 3.595 12.837 2.988 1.00 0.00 C ATOM 80 O GLU A 10 2.604 13.518 2.815 1.00 0.00 O ATOM 81 CB GLU A 10 4.904 14.952 2.749 1.00 0.00 C ATOM 82 CG GLU A 10 6.278 15.573 3.014 1.00 0.00 C ATOM 83 CD GLU A 10 6.204 17.086 2.804 1.00 0.00 C ATOM 84 OE1 GLU A 10 5.547 17.502 1.864 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.805 17.804 3.587 1.00 0.00 O ATOM 0 H GLU A 10 5.238 13.175 0.746 1.00 0.00 H new ATOM 0 HA GLU A 10 5.586 13.158 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.551 15.235 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.177 15.333 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.598 15.352 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.020 15.138 2.345 1.00 0.00 H new ATOM 92 N ARG A 11 3.504 11.573 3.304 1.00 0.00 N ATOM 93 CA ARG A 11 2.163 10.931 3.464 1.00 0.00 C ATOM 94 C ARG A 11 2.255 9.812 4.504 1.00 0.00 C ATOM 95 O ARG A 11 3.309 9.549 5.049 1.00 0.00 O ATOM 96 CB ARG A 11 1.685 10.381 2.104 1.00 0.00 C ATOM 97 CG ARG A 11 2.334 9.023 1.760 1.00 0.00 C ATOM 98 CD ARG A 11 3.859 9.165 1.649 1.00 0.00 C ATOM 99 NE ARG A 11 4.486 9.018 2.994 1.00 0.00 N ATOM 100 CZ ARG A 11 5.773 8.837 3.100 1.00 0.00 C ATOM 101 NH1 ARG A 11 6.520 8.791 2.031 1.00 0.00 N ATOM 102 NH2 ARG A 11 6.314 8.705 4.279 1.00 0.00 N ATOM 0 H ARG A 11 4.300 10.955 3.459 1.00 0.00 H new ATOM 0 HA ARG A 11 1.438 11.668 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.601 10.269 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.919 11.102 1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.087 8.291 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.929 8.648 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.254 8.409 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.112 10.137 1.225 1.00 0.00 H new ATOM 0 HE ARG A 11 3.907 9.059 3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.098 8.897 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.526 8.649 2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.731 8.743 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.320 8.563 4.365 1.00 0.00 H new ATOM 116 N TYR A 12 1.160 9.146 4.777 1.00 0.00 N ATOM 117 CA TYR A 12 1.169 8.030 5.777 1.00 0.00 C ATOM 118 C TYR A 12 0.920 6.707 5.051 1.00 0.00 C ATOM 119 O TYR A 12 1.174 5.642 5.577 1.00 0.00 O ATOM 120 CB TYR A 12 0.061 8.262 6.807 1.00 0.00 C ATOM 121 CG TYR A 12 -1.271 8.386 6.102 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.601 9.572 5.436 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.174 7.315 6.115 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.835 9.688 4.782 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.407 7.431 5.462 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.737 8.617 4.796 1.00 0.00 C ATOM 127 OH TYR A 12 -4.953 8.731 4.151 1.00 0.00 O ATOM 0 H TYR A 12 0.253 9.328 4.347 1.00 0.00 H new ATOM 0 HA TYR A 12 2.133 7.996 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.032 7.436 7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.266 9.167 7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.905 10.398 5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.919 6.400 6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.090 10.603 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.103 6.606 5.472 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.459 7.898 4.257 1.00 0.00 H new ATOM 137 N THR A 13 0.427 6.772 3.841 1.00 0.00 N ATOM 138 CA THR A 13 0.153 5.528 3.058 1.00 0.00 C ATOM 139 C THR A 13 0.463 5.803 1.578 1.00 0.00 C ATOM 140 O THR A 13 0.410 6.930 1.130 1.00 0.00 O ATOM 141 CB THR A 13 -1.332 5.146 3.229 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.095 6.329 3.414 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.531 4.223 4.447 1.00 0.00 C ATOM 0 H THR A 13 0.200 7.641 3.357 1.00 0.00 H new ATOM 0 HA THR A 13 0.775 4.706 3.412 1.00 0.00 H new ATOM 0 HB THR A 13 -1.659 4.614 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.469 6.338 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.587 3.970 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.950 3.311 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.197 4.735 5.350 1.00 0.00 H new ATOM 151 N LEU A 14 0.798 4.782 0.821 1.00 0.00 N ATOM 152 CA LEU A 14 1.129 4.977 -0.633 1.00 0.00 C ATOM 153 C LEU A 14 0.022 4.387 -1.506 1.00 0.00 C ATOM 154 O LEU A 14 -0.579 3.389 -1.178 1.00 0.00 O ATOM 155 CB LEU A 14 2.462 4.270 -0.945 1.00 0.00 C ATOM 156 CG LEU A 14 3.617 5.242 -0.718 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.625 5.697 0.748 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.943 4.559 -1.061 1.00 0.00 C ATOM 0 H LEU A 14 0.857 3.818 1.148 1.00 0.00 H new ATOM 0 HA LEU A 14 1.216 6.043 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.579 3.394 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.466 3.917 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 14 3.490 6.112 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.450 6.391 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.683 6.193 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.748 4.830 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.765 5.256 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.077 3.685 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.933 4.249 -2.106 1.00 0.00 H new ATOM 170 N THR A 15 -0.243 5.000 -2.622 1.00 0.00 N ATOM 171 CA THR A 15 -1.306 4.479 -3.521 1.00 0.00 C ATOM 172 C THR A 15 -0.770 3.264 -4.269 1.00 0.00 C ATOM 173 O THR A 15 0.381 2.900 -4.137 1.00 0.00 O ATOM 174 CB THR A 15 -1.689 5.565 -4.532 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.523 6.283 -4.900 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.698 6.529 -3.912 1.00 0.00 C ATOM 0 H THR A 15 0.231 5.841 -2.951 1.00 0.00 H new ATOM 0 HA THR A 15 -2.182 4.198 -2.936 1.00 0.00 H new ATOM 0 HB THR A 15 -2.137 5.098 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.768 7.021 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.963 7.296 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.594 5.980 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.259 6.999 -3.032 1.00 0.00 H new ATOM 184 N ILE A 16 -1.588 2.639 -5.068 1.00 0.00 N ATOM 185 CA ILE A 16 -1.103 1.471 -5.821 1.00 0.00 C ATOM 186 C ILE A 16 -0.019 1.955 -6.782 1.00 0.00 C ATOM 187 O ILE A 16 0.984 1.303 -6.987 1.00 0.00 O ATOM 188 CB ILE A 16 -2.257 0.853 -6.622 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.231 0.116 -5.673 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.689 -0.110 -7.676 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.729 -1.301 -5.359 1.00 0.00 C ATOM 0 H ILE A 16 -2.564 2.891 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.707 0.717 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.812 1.643 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.339 0.681 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.219 0.062 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.508 -0.550 -8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.030 0.437 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.126 -0.901 -7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.433 -1.796 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.646 -1.871 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.752 -1.243 -4.879 1.00 0.00 H new ATOM 203 N GLU A 17 -0.222 3.100 -7.372 1.00 0.00 N ATOM 204 CA GLU A 17 0.791 3.634 -8.319 1.00 0.00 C ATOM 205 C GLU A 17 2.042 4.006 -7.525 1.00 0.00 C ATOM 206 O GLU A 17 3.150 3.721 -7.931 1.00 0.00 O ATOM 207 CB GLU A 17 0.230 4.864 -9.051 1.00 0.00 C ATOM 208 CG GLU A 17 -0.695 5.644 -8.115 1.00 0.00 C ATOM 209 CD GLU A 17 -0.944 7.042 -8.687 1.00 0.00 C ATOM 210 OE1 GLU A 17 -0.824 7.198 -9.891 1.00 0.00 O ATOM 211 OE2 GLU A 17 -1.251 7.931 -7.911 1.00 0.00 O ATOM 0 H GLU A 17 -1.045 3.687 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 17 1.041 2.882 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.047 5.503 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.317 4.552 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.640 5.115 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.247 5.720 -7.124 1.00 0.00 H new ATOM 218 N GLU A 18 1.877 4.616 -6.381 1.00 0.00 N ATOM 219 CA GLU A 18 3.054 4.966 -5.567 1.00 0.00 C ATOM 220 C GLU A 18 3.681 3.663 -5.067 1.00 0.00 C ATOM 221 O GLU A 18 4.883 3.505 -5.056 1.00 0.00 O ATOM 222 CB GLU A 18 2.601 5.825 -4.384 1.00 0.00 C ATOM 223 CG GLU A 18 2.411 7.290 -4.816 1.00 0.00 C ATOM 224 CD GLU A 18 1.644 7.376 -6.142 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.153 6.884 -7.136 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.567 7.948 -6.144 1.00 0.00 O ATOM 0 H GLU A 18 0.976 4.882 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 18 3.784 5.528 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.666 5.435 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.339 5.769 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.869 7.834 -4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.383 7.771 -4.922 1.00 0.00 H new ATOM 233 N ALA A 19 2.867 2.721 -4.663 1.00 0.00 N ATOM 234 CA ALA A 19 3.415 1.425 -4.171 1.00 0.00 C ATOM 235 C ALA A 19 4.102 0.693 -5.324 1.00 0.00 C ATOM 236 O ALA A 19 5.153 0.115 -5.163 1.00 0.00 O ATOM 237 CB ALA A 19 2.285 0.551 -3.620 1.00 0.00 C ATOM 0 H ALA A 19 1.850 2.795 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 19 4.135 1.623 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.696 -0.393 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.794 1.068 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.559 0.355 -4.409 1.00 0.00 H new ATOM 243 N SER A 20 3.522 0.698 -6.489 1.00 0.00 N ATOM 244 CA SER A 20 4.173 -0.011 -7.620 1.00 0.00 C ATOM 245 C SER A 20 5.610 0.501 -7.784 1.00 0.00 C ATOM 246 O SER A 20 6.542 -0.264 -7.836 1.00 0.00 O ATOM 247 CB SER A 20 3.387 0.237 -8.903 1.00 0.00 C ATOM 248 OG SER A 20 3.338 1.633 -9.166 1.00 0.00 O ATOM 0 H SER A 20 2.637 1.156 -6.705 1.00 0.00 H new ATOM 0 HA SER A 20 4.192 -1.081 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.857 -0.285 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.377 -0.161 -8.806 1.00 0.00 H new ATOM 0 HG SER A 20 3.335 2.126 -8.319 1.00 0.00 H new ATOM 254 N LYS A 21 5.802 1.786 -7.865 1.00 0.00 N ATOM 255 CA LYS A 21 7.191 2.318 -8.020 1.00 0.00 C ATOM 256 C LYS A 21 7.945 2.178 -6.692 1.00 0.00 C ATOM 257 O LYS A 21 8.997 1.577 -6.618 1.00 0.00 O ATOM 258 CB LYS A 21 7.139 3.796 -8.416 1.00 0.00 C ATOM 259 CG LYS A 21 6.107 4.004 -9.534 1.00 0.00 C ATOM 260 CD LYS A 21 5.980 5.502 -9.866 1.00 0.00 C ATOM 261 CE LYS A 21 4.976 6.170 -8.918 1.00 0.00 C ATOM 262 NZ LYS A 21 4.954 7.638 -9.176 1.00 0.00 N ATOM 0 H LYS A 21 5.065 2.491 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 21 7.706 1.752 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.877 4.404 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.122 4.126 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.407 3.451 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.139 3.609 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.953 5.986 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.655 5.627 -10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.982 5.748 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.253 5.976 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.274 8.093 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.902 8.033 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.671 7.813 -10.161 1.00 0.00 H new ATOM 276 N TYR A 22 7.406 2.746 -5.652 1.00 0.00 N ATOM 277 CA TYR A 22 8.061 2.682 -4.307 1.00 0.00 C ATOM 278 C TYR A 22 8.145 1.218 -3.839 1.00 0.00 C ATOM 279 O TYR A 22 9.207 0.691 -3.571 1.00 0.00 O ATOM 280 CB TYR A 22 7.181 3.488 -3.338 1.00 0.00 C ATOM 281 CG TYR A 22 7.981 4.069 -2.197 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.550 5.342 -2.321 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.121 3.353 -1.003 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.261 5.901 -1.254 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.835 3.907 0.065 1.00 0.00 C ATOM 286 CZ TYR A 22 9.405 5.183 -0.059 1.00 0.00 C ATOM 287 OH TYR A 22 10.105 5.731 0.996 1.00 0.00 O ATOM 0 H TYR A 22 6.526 3.261 -5.672 1.00 0.00 H new ATOM 0 HA TYR A 22 9.072 3.088 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.687 4.293 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.397 2.844 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.440 5.894 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.678 2.373 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.698 6.884 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.947 3.352 0.985 1.00 0.00 H new ATOM 0 HH TYR A 22 10.109 5.102 1.748 1.00 0.00 H new ATOM 297 N PHE A 23 7.016 0.573 -3.749 1.00 0.00 N ATOM 298 CA PHE A 23 6.953 -0.853 -3.311 1.00 0.00 C ATOM 299 C PHE A 23 6.921 -1.757 -4.541 1.00 0.00 C ATOM 300 O PHE A 23 5.908 -2.343 -4.835 1.00 0.00 O ATOM 301 CB PHE A 23 5.673 -1.089 -2.490 1.00 0.00 C ATOM 302 CG PHE A 23 5.896 -0.688 -1.054 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.739 0.646 -0.667 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.262 -1.654 -0.115 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.952 1.018 0.664 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.475 -1.291 1.217 1.00 0.00 C ATOM 307 CZ PHE A 23 6.321 0.048 1.610 1.00 0.00 C ATOM 0 H PHE A 23 6.109 0.985 -3.966 1.00 0.00 H new ATOM 0 HA PHE A 23 7.828 -1.079 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.850 -0.513 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.387 -2.140 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.453 1.390 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.381 -2.684 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.833 2.049 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.758 -2.039 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.486 0.332 2.639 1.00 0.00 H new ATOM 317 N ARG A 24 7.999 -1.851 -5.270 1.00 0.00 N ATOM 318 CA ARG A 24 8.009 -2.721 -6.493 1.00 0.00 C ATOM 319 C ARG A 24 7.339 -4.065 -6.193 1.00 0.00 C ATOM 320 O ARG A 24 7.988 -5.051 -5.912 1.00 0.00 O ATOM 321 CB ARG A 24 9.452 -2.968 -6.957 1.00 0.00 C ATOM 322 CG ARG A 24 10.020 -1.718 -7.677 1.00 0.00 C ATOM 323 CD ARG A 24 10.724 -0.801 -6.670 1.00 0.00 C ATOM 324 NE ARG A 24 11.346 0.346 -7.392 1.00 0.00 N ATOM 325 CZ ARG A 24 11.753 1.394 -6.728 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.620 1.436 -5.430 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.295 2.399 -7.361 1.00 0.00 N ATOM 0 H ARG A 24 8.875 -1.366 -5.077 1.00 0.00 H new ATOM 0 HA ARG A 24 7.457 -2.210 -7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.077 -3.215 -6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.481 -3.825 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.721 -2.024 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.214 -1.176 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.009 -0.436 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.486 -1.358 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 24 11.454 0.312 -8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.198 0.650 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.938 2.255 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.401 2.366 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.613 3.217 -6.842 1.00 0.00 H new ATOM 341 N ILE A 25 6.038 -4.097 -6.276 1.00 0.00 N ATOM 342 CA ILE A 25 5.267 -5.346 -6.024 1.00 0.00 C ATOM 343 C ILE A 25 4.296 -5.522 -7.192 1.00 0.00 C ATOM 344 O ILE A 25 3.996 -4.580 -7.898 1.00 0.00 O ATOM 345 CB ILE A 25 4.460 -5.204 -4.722 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.389 -5.122 -3.493 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.513 -6.398 -4.568 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.340 -6.322 -3.426 1.00 0.00 C ATOM 0 H ILE A 25 5.463 -3.289 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 25 5.939 -6.200 -5.933 1.00 0.00 H new ATOM 0 HB ILE A 25 3.886 -4.279 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.968 -4.199 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.789 -5.081 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.943 -6.294 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.828 -6.431 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.093 -7.320 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.979 -6.231 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.760 -7.242 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.958 -6.347 -4.324 1.00 0.00 H new ATOM 360 N GLY A 26 3.794 -6.702 -7.408 1.00 0.00 N ATOM 361 CA GLY A 26 2.842 -6.892 -8.537 1.00 0.00 C ATOM 362 C GLY A 26 1.716 -5.859 -8.420 1.00 0.00 C ATOM 363 O GLY A 26 1.001 -5.817 -7.440 1.00 0.00 O ATOM 0 H GLY A 26 3.998 -7.537 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.360 -6.778 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.431 -7.901 -8.517 1.00 0.00 H new ATOM 367 N GLU A 27 1.551 -5.021 -9.408 1.00 0.00 N ATOM 368 CA GLU A 27 0.467 -3.997 -9.339 1.00 0.00 C ATOM 369 C GLU A 27 -0.839 -4.675 -8.913 1.00 0.00 C ATOM 370 O GLU A 27 -1.413 -4.363 -7.889 1.00 0.00 O ATOM 371 CB GLU A 27 0.279 -3.358 -10.718 1.00 0.00 C ATOM 372 CG GLU A 27 1.409 -2.361 -10.980 1.00 0.00 C ATOM 373 CD GLU A 27 1.424 -1.986 -12.464 1.00 0.00 C ATOM 374 OE1 GLU A 27 0.685 -1.089 -12.835 1.00 0.00 O ATOM 375 OE2 GLU A 27 2.173 -2.603 -13.203 1.00 0.00 O ATOM 0 H GLU A 27 2.117 -5.000 -10.257 1.00 0.00 H new ATOM 0 HA GLU A 27 0.737 -3.227 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.274 -4.128 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.685 -2.852 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.270 -1.469 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.366 -2.797 -10.694 1.00 0.00 H new ATOM 382 N ASN A 28 -1.305 -5.603 -9.700 1.00 0.00 N ATOM 383 CA ASN A 28 -2.568 -6.314 -9.362 1.00 0.00 C ATOM 384 C ASN A 28 -2.376 -7.143 -8.090 1.00 0.00 C ATOM 385 O ASN A 28 -3.330 -7.516 -7.437 1.00 0.00 O ATOM 386 CB ASN A 28 -2.957 -7.242 -10.513 1.00 0.00 C ATOM 387 CG ASN A 28 -4.214 -8.023 -10.130 1.00 0.00 C ATOM 388 OD1 ASN A 28 -4.192 -9.236 -10.060 1.00 0.00 O ATOM 389 ND2 ASN A 28 -5.316 -7.374 -9.874 1.00 0.00 N ATOM 0 H ASN A 28 -0.862 -5.901 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.356 -5.579 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.137 -6.662 -11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.140 -7.930 -10.733 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.160 -7.885 -9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.334 -6.356 -9.933 1.00 0.00 H new ATOM 396 N LYS A 29 -1.156 -7.439 -7.723 1.00 0.00 N ATOM 397 CA LYS A 29 -0.939 -8.243 -6.490 1.00 0.00 C ATOM 398 C LYS A 29 -1.319 -7.384 -5.288 1.00 0.00 C ATOM 399 O LYS A 29 -1.773 -7.874 -4.277 1.00 0.00 O ATOM 400 CB LYS A 29 0.534 -8.669 -6.405 1.00 0.00 C ATOM 401 CG LYS A 29 0.738 -9.682 -5.261 1.00 0.00 C ATOM 402 CD LYS A 29 0.806 -8.971 -3.874 1.00 0.00 C ATOM 403 CE LYS A 29 2.019 -9.471 -3.074 1.00 0.00 C ATOM 404 NZ LYS A 29 2.153 -8.674 -1.822 1.00 0.00 N ATOM 0 H LYS A 29 -0.310 -7.161 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.554 -9.143 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.846 -9.112 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.163 -7.794 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.079 -10.403 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.658 -10.242 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.875 -7.892 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.110 -9.162 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.899 -10.527 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.925 -9.381 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.118 -8.775 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.965 -7.672 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.470 -9.018 -1.117 1.00 0.00 H new ATOM 418 N LEU A 30 -1.157 -6.097 -5.407 1.00 0.00 N ATOM 419 CA LEU A 30 -1.525 -5.188 -4.289 1.00 0.00 C ATOM 420 C LEU A 30 -3.051 -5.069 -4.223 1.00 0.00 C ATOM 421 O LEU A 30 -3.639 -5.102 -3.160 1.00 0.00 O ATOM 422 CB LEU A 30 -0.919 -3.808 -4.545 1.00 0.00 C ATOM 423 CG LEU A 30 0.620 -3.880 -4.505 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.213 -2.688 -5.268 1.00 0.00 C ATOM 425 CD2 LEU A 30 1.116 -3.839 -3.051 1.00 0.00 C ATOM 0 H LEU A 30 -0.783 -5.634 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.146 -5.585 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.247 -3.434 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.276 -3.102 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 30 0.938 -4.814 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.301 -2.742 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.877 -2.716 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.883 -1.758 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.205 -3.891 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.790 -2.911 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.705 -4.687 -2.502 1.00 0.00 H new ATOM 437 N ARG A 31 -3.696 -4.930 -5.351 1.00 0.00 N ATOM 438 CA ARG A 31 -5.183 -4.809 -5.351 1.00 0.00 C ATOM 439 C ARG A 31 -5.806 -6.114 -4.851 1.00 0.00 C ATOM 440 O ARG A 31 -6.742 -6.109 -4.079 1.00 0.00 O ATOM 441 CB ARG A 31 -5.679 -4.533 -6.774 1.00 0.00 C ATOM 442 CG ARG A 31 -5.056 -3.237 -7.300 1.00 0.00 C ATOM 443 CD ARG A 31 -5.831 -2.758 -8.531 1.00 0.00 C ATOM 444 NE ARG A 31 -5.102 -1.627 -9.172 1.00 0.00 N ATOM 445 CZ ARG A 31 -5.406 -1.262 -10.388 1.00 0.00 C ATOM 446 NH1 ARG A 31 -6.340 -1.895 -11.045 1.00 0.00 N ATOM 447 NH2 ARG A 31 -4.775 -0.265 -10.947 1.00 0.00 N ATOM 0 H ARG A 31 -3.258 -4.895 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.473 -3.988 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.416 -5.365 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.766 -4.453 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.076 -2.471 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.010 -3.403 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.948 -3.577 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.833 -2.441 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.366 -1.139 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.832 -2.674 -10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.578 -1.610 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.045 0.228 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.012 0.020 -11.897 1.00 0.00 H new ATOM 461 N ARG A 32 -5.301 -7.232 -5.296 1.00 0.00 N ATOM 462 CA ARG A 32 -5.874 -8.536 -4.857 1.00 0.00 C ATOM 463 C ARG A 32 -5.632 -8.738 -3.360 1.00 0.00 C ATOM 464 O ARG A 32 -6.485 -9.227 -2.647 1.00 0.00 O ATOM 465 CB ARG A 32 -5.207 -9.675 -5.638 1.00 0.00 C ATOM 466 CG ARG A 32 -5.657 -9.649 -7.113 1.00 0.00 C ATOM 467 CD ARG A 32 -6.942 -10.467 -7.292 1.00 0.00 C ATOM 468 NE ARG A 32 -7.564 -10.135 -8.604 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.475 -10.919 -9.112 1.00 0.00 C ATOM 470 NH1 ARG A 32 -8.840 -11.997 -8.473 1.00 0.00 N ATOM 471 NH2 ARG A 32 -9.020 -10.626 -10.262 1.00 0.00 N ATOM 0 H ARG A 32 -4.517 -7.299 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.947 -8.536 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.123 -9.579 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.466 -10.634 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.826 -8.620 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.869 -10.054 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.717 -11.532 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.639 -10.251 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.278 -9.294 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.413 -12.227 -7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.552 -12.609 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.733 -9.785 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.732 -11.238 -10.660 1.00 0.00 H new ATOM 485 N LEU A 33 -4.476 -8.377 -2.878 1.00 0.00 N ATOM 486 CA LEU A 33 -4.182 -8.562 -1.430 1.00 0.00 C ATOM 487 C LEU A 33 -5.119 -7.687 -0.586 1.00 0.00 C ATOM 488 O LEU A 33 -5.606 -8.103 0.447 1.00 0.00 O ATOM 489 CB LEU A 33 -2.716 -8.175 -1.171 1.00 0.00 C ATOM 490 CG LEU A 33 -2.170 -8.916 0.067 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.704 -10.327 -0.320 1.00 0.00 C ATOM 492 CD2 LEU A 33 -0.979 -8.142 0.644 1.00 0.00 C ATOM 0 H LEU A 33 -3.722 -7.962 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.342 -9.603 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.110 -8.418 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.640 -7.098 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.965 -8.989 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.321 -10.839 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.544 -10.888 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.915 -10.257 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.594 -8.666 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.194 -8.067 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.301 -7.142 0.933 1.00 0.00 H new ATOM 504 N ALA A 34 -5.368 -6.478 -1.010 1.00 0.00 N ATOM 505 CA ALA A 34 -6.266 -5.581 -0.222 1.00 0.00 C ATOM 506 C ALA A 34 -7.730 -5.896 -0.540 1.00 0.00 C ATOM 507 O ALA A 34 -8.596 -5.775 0.304 1.00 0.00 O ATOM 508 CB ALA A 34 -5.974 -4.124 -0.583 1.00 0.00 C ATOM 0 H ALA A 34 -4.990 -6.072 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.086 -5.741 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.629 -3.469 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.934 -3.893 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.150 -3.971 -1.648 1.00 0.00 H new ATOM 514 N GLU A 35 -8.018 -6.293 -1.749 1.00 0.00 N ATOM 515 CA GLU A 35 -9.430 -6.606 -2.110 1.00 0.00 C ATOM 516 C GLU A 35 -9.805 -7.984 -1.562 1.00 0.00 C ATOM 517 O GLU A 35 -10.966 -8.309 -1.416 1.00 0.00 O ATOM 518 CB GLU A 35 -9.583 -6.599 -3.634 1.00 0.00 C ATOM 519 CG GLU A 35 -11.068 -6.523 -4.000 1.00 0.00 C ATOM 520 CD GLU A 35 -11.225 -6.627 -5.518 1.00 0.00 C ATOM 521 OE1 GLU A 35 -10.585 -7.486 -6.102 1.00 0.00 O ATOM 522 OE2 GLU A 35 -11.981 -5.846 -6.070 1.00 0.00 O ATOM 0 H GLU A 35 -7.339 -6.414 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.090 -5.854 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.049 -5.749 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.139 -7.499 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.616 -7.329 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.494 -5.585 -3.643 1.00 0.00 H new ATOM 529 N GLU A 36 -8.830 -8.798 -1.251 1.00 0.00 N ATOM 530 CA GLU A 36 -9.121 -10.147 -0.709 1.00 0.00 C ATOM 531 C GLU A 36 -9.319 -10.039 0.807 1.00 0.00 C ATOM 532 O GLU A 36 -10.098 -10.765 1.393 1.00 0.00 O ATOM 533 CB GLU A 36 -7.936 -11.067 -1.026 1.00 0.00 C ATOM 534 CG GLU A 36 -8.033 -12.345 -0.198 1.00 0.00 C ATOM 535 CD GLU A 36 -7.089 -13.406 -0.768 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.310 -13.826 -1.892 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.162 -13.780 -0.069 1.00 0.00 O ATOM 0 H GLU A 36 -7.839 -8.579 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.026 -10.557 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.929 -11.312 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.999 -10.554 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.776 -12.137 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.058 -12.716 -0.204 1.00 0.00 H new ATOM 544 N ASN A 37 -8.612 -9.134 1.439 1.00 0.00 N ATOM 545 CA ASN A 37 -8.735 -8.955 2.922 1.00 0.00 C ATOM 546 C ASN A 37 -9.154 -7.515 3.223 1.00 0.00 C ATOM 547 O ASN A 37 -8.444 -6.776 3.874 1.00 0.00 O ATOM 548 CB ASN A 37 -7.381 -9.236 3.578 1.00 0.00 C ATOM 549 CG ASN A 37 -7.123 -10.744 3.590 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.813 -11.484 4.262 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.151 -11.233 2.870 1.00 0.00 N ATOM 0 H ASN A 37 -7.948 -8.505 0.987 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.483 -9.644 3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.588 -8.725 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.370 -8.846 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.970 -12.237 2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.572 -10.611 2.306 1.00 0.00 H new ATOM 558 N LYS A 38 -10.305 -7.113 2.757 1.00 0.00 N ATOM 559 CA LYS A 38 -10.776 -5.720 3.021 1.00 0.00 C ATOM 560 C LYS A 38 -10.592 -5.393 4.512 1.00 0.00 C ATOM 561 O LYS A 38 -10.672 -4.252 4.922 1.00 0.00 O ATOM 562 CB LYS A 38 -12.266 -5.583 2.627 1.00 0.00 C ATOM 563 CG LYS A 38 -12.983 -6.947 2.747 1.00 0.00 C ATOM 564 CD LYS A 38 -12.915 -7.712 1.407 1.00 0.00 C ATOM 565 CE LYS A 38 -14.097 -7.318 0.514 1.00 0.00 C ATOM 566 NZ LYS A 38 -15.320 -8.040 0.966 1.00 0.00 N ATOM 0 H LYS A 38 -10.941 -7.688 2.204 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.191 -5.020 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.753 -4.851 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.346 -5.212 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.520 -7.540 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.024 -6.794 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.976 -7.490 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.931 -8.786 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.259 -6.241 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.880 -7.563 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.883 -8.322 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.045 -8.888 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.887 -7.415 1.574 1.00 0.00 H new ATOM 580 N ASN A 39 -10.350 -6.391 5.322 1.00 0.00 N ATOM 581 CA ASN A 39 -10.161 -6.160 6.786 1.00 0.00 C ATOM 582 C ASN A 39 -8.666 -6.175 7.109 1.00 0.00 C ATOM 583 O ASN A 39 -8.265 -6.270 8.252 1.00 0.00 O ATOM 584 CB ASN A 39 -10.861 -7.281 7.557 1.00 0.00 C ATOM 585 CG ASN A 39 -12.373 -7.049 7.537 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.891 -6.415 6.640 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.109 -7.542 8.496 1.00 0.00 N ATOM 0 H ASN A 39 -10.275 -7.365 5.029 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.584 -5.196 7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.625 -8.247 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.501 -7.309 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.118 -7.395 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.675 -8.075 9.250 1.00 0.00 H new ATOM 594 N ALA A 40 -7.841 -6.082 6.106 1.00 0.00 N ATOM 595 CA ALA A 40 -6.370 -6.090 6.335 1.00 0.00 C ATOM 596 C ALA A 40 -6.001 -4.997 7.349 1.00 0.00 C ATOM 597 O ALA A 40 -6.531 -3.907 7.325 1.00 0.00 O ATOM 598 CB ALA A 40 -5.663 -5.829 4.998 1.00 0.00 C ATOM 0 H ALA A 40 -8.124 -6.000 5.130 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.057 -7.056 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.584 -5.832 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.931 -6.610 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.971 -4.860 4.606 1.00 0.00 H new ATOM 604 N ASN A 41 -5.099 -5.285 8.241 1.00 0.00 N ATOM 605 CA ASN A 41 -4.690 -4.264 9.247 1.00 0.00 C ATOM 606 C ASN A 41 -3.692 -3.281 8.614 1.00 0.00 C ATOM 607 O ASN A 41 -3.201 -2.384 9.269 1.00 0.00 O ATOM 608 CB ASN A 41 -4.036 -4.972 10.441 1.00 0.00 C ATOM 609 CG ASN A 41 -4.057 -4.056 11.668 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.606 -4.407 12.694 1.00 0.00 O ATOM 611 ND2 ASN A 41 -3.478 -2.888 11.607 1.00 0.00 N ATOM 0 H ASN A 41 -4.625 -6.185 8.319 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.566 -3.710 9.584 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.566 -5.899 10.660 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.009 -5.242 10.196 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.487 -2.271 12.420 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.017 -2.592 10.747 1.00 0.00 H new ATOM 618 N TRP A 42 -3.362 -3.463 7.352 1.00 0.00 N ATOM 619 CA TRP A 42 -2.361 -2.562 6.681 1.00 0.00 C ATOM 620 C TRP A 42 -2.967 -1.849 5.463 1.00 0.00 C ATOM 621 O TRP A 42 -2.373 -0.937 4.925 1.00 0.00 O ATOM 622 CB TRP A 42 -1.186 -3.416 6.206 1.00 0.00 C ATOM 623 CG TRP A 42 -1.721 -4.589 5.452 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.875 -5.833 5.960 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.190 -4.648 4.073 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.411 -6.651 4.982 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.622 -5.967 3.802 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.282 -3.695 3.040 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.129 -6.329 2.556 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -2.791 -4.058 1.783 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.216 -5.371 1.542 1.00 0.00 C ATOM 0 H TRP A 42 -3.744 -4.198 6.757 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.044 -1.806 7.399 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.524 -2.828 5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.594 -3.752 7.058 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.621 -6.138 6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.624 -7.639 5.116 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.959 -2.679 3.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.453 -7.343 2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.855 -3.320 0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.610 -5.643 0.574 1.00 0.00 H new ATOM 642 N LEU A 43 -4.121 -2.258 4.996 1.00 0.00 N ATOM 643 CA LEU A 43 -4.715 -1.599 3.790 1.00 0.00 C ATOM 644 C LEU A 43 -5.632 -0.444 4.206 1.00 0.00 C ATOM 645 O LEU A 43 -6.017 -0.320 5.352 1.00 0.00 O ATOM 646 CB LEU A 43 -5.482 -2.674 2.980 1.00 0.00 C ATOM 647 CG LEU A 43 -7.009 -2.719 3.298 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.291 -2.691 4.822 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.761 -1.559 2.582 1.00 0.00 C ATOM 0 H LEU A 43 -4.675 -3.016 5.395 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.930 -1.171 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.346 -2.482 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.047 -3.652 3.186 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.385 -3.668 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.367 -2.724 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.822 -3.554 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.883 -1.776 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.823 -1.613 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.361 -0.603 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.625 -1.648 1.504 1.00 0.00 H new ATOM 661 N ILE A 44 -5.967 0.412 3.275 1.00 0.00 N ATOM 662 CA ILE A 44 -6.843 1.573 3.578 1.00 0.00 C ATOM 663 C ILE A 44 -7.811 1.767 2.404 1.00 0.00 C ATOM 664 O ILE A 44 -7.596 1.262 1.320 1.00 0.00 O ATOM 665 CB ILE A 44 -5.953 2.821 3.741 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.274 2.827 5.126 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.777 4.097 3.559 1.00 0.00 C ATOM 668 CD1 ILE A 44 -6.309 2.808 6.266 1.00 0.00 C ATOM 0 H ILE A 44 -5.663 0.350 2.303 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.411 1.409 4.494 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.181 2.789 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.619 1.960 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.645 3.712 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.131 4.967 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.218 4.106 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.569 4.128 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.793 2.813 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.947 3.689 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.920 1.909 6.187 1.00 0.00 H new ATOM 680 N MET A 45 -8.871 2.502 2.613 1.00 0.00 N ATOM 681 CA MET A 45 -9.855 2.742 1.515 1.00 0.00 C ATOM 682 C MET A 45 -10.359 4.181 1.605 1.00 0.00 C ATOM 683 O MET A 45 -10.708 4.663 2.664 1.00 0.00 O ATOM 684 CB MET A 45 -11.037 1.778 1.657 1.00 0.00 C ATOM 685 CG MET A 45 -10.566 0.334 1.447 1.00 0.00 C ATOM 686 SD MET A 45 -11.972 -0.690 0.947 1.00 0.00 S ATOM 687 CE MET A 45 -11.799 -0.456 -0.840 1.00 0.00 C ATOM 0 H MET A 45 -9.099 2.949 3.501 1.00 0.00 H new ATOM 0 HA MET A 45 -9.374 2.577 0.551 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.485 1.883 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.809 2.027 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.788 0.301 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.128 -0.055 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.719 -0.762 -1.338 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.604 0.595 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.970 -1.060 -1.207 1.00 0.00 H new ATOM 697 N ASN A 46 -10.396 4.869 0.496 1.00 0.00 N ATOM 698 CA ASN A 46 -10.872 6.284 0.493 1.00 0.00 C ATOM 699 C ASN A 46 -11.743 6.507 -0.742 1.00 0.00 C ATOM 700 O ASN A 46 -11.271 6.924 -1.781 1.00 0.00 O ATOM 701 CB ASN A 46 -9.666 7.225 0.448 1.00 0.00 C ATOM 702 CG ASN A 46 -8.983 7.246 1.816 1.00 0.00 C ATOM 703 OD1 ASN A 46 -9.473 7.859 2.744 1.00 0.00 O ATOM 704 ND2 ASN A 46 -7.863 6.598 1.982 1.00 0.00 N ATOM 0 H ASN A 46 -10.115 4.509 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.451 6.486 1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.962 6.895 -0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.986 8.230 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.399 6.606 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.451 6.083 1.203 1.00 0.00 H new ATOM 711 N GLY A 47 -13.011 6.219 -0.639 1.00 0.00 N ATOM 712 CA GLY A 47 -13.914 6.401 -1.809 1.00 0.00 C ATOM 713 C GLY A 47 -13.787 5.192 -2.723 1.00 0.00 C ATOM 714 O GLY A 47 -14.630 4.317 -2.736 1.00 0.00 O ATOM 0 H GLY A 47 -13.461 5.865 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.945 6.514 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.652 7.311 -2.349 1.00 0.00 H new ATOM 718 N ASN A 48 -12.742 5.139 -3.500 1.00 0.00 N ATOM 719 CA ASN A 48 -12.567 3.988 -4.427 1.00 0.00 C ATOM 720 C ASN A 48 -11.076 3.708 -4.656 1.00 0.00 C ATOM 721 O ASN A 48 -10.718 2.820 -5.404 1.00 0.00 O ATOM 722 CB ASN A 48 -13.241 4.338 -5.753 1.00 0.00 C ATOM 723 CG ASN A 48 -13.495 3.062 -6.556 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.002 1.935 -6.127 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -14.147 3.092 -7.581 1.00 0.00 N flip ATOM 0 H ASN A 48 -12.003 5.841 -3.533 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.018 3.094 -3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.182 4.856 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.610 5.019 -6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.532 3.976 -7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.309 2.234 -8.107 1.00 0.00 H new ATOM 732 N ARG A 49 -10.204 4.460 -4.030 1.00 0.00 N ATOM 733 CA ARG A 49 -8.735 4.243 -4.222 1.00 0.00 C ATOM 734 C ARG A 49 -8.143 3.540 -2.998 1.00 0.00 C ATOM 735 O ARG A 49 -8.207 4.036 -1.891 1.00 0.00 O ATOM 736 CB ARG A 49 -8.051 5.599 -4.397 1.00 0.00 C ATOM 737 CG ARG A 49 -8.621 6.311 -5.631 1.00 0.00 C ATOM 738 CD ARG A 49 -8.325 7.811 -5.547 1.00 0.00 C ATOM 739 NE ARG A 49 -8.440 8.413 -6.905 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.521 9.708 -7.041 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.500 10.478 -5.988 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.621 10.232 -8.232 1.00 0.00 N ATOM 0 H ARG A 49 -10.447 5.218 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.576 3.622 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.204 6.212 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.975 5.463 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.182 5.895 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.697 6.146 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.023 8.293 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.324 7.974 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.455 7.812 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.420 10.068 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.563 11.490 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.636 9.629 -9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.684 11.244 -8.340 1.00 0.00 H new ATOM 756 N ILE A 50 -7.549 2.395 -3.196 1.00 0.00 N ATOM 757 CA ILE A 50 -6.930 1.663 -2.054 1.00 0.00 C ATOM 758 C ILE A 50 -5.530 2.233 -1.811 1.00 0.00 C ATOM 759 O ILE A 50 -4.771 2.415 -2.742 1.00 0.00 O ATOM 760 CB ILE A 50 -6.812 0.178 -2.410 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.210 -0.407 -2.631 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.120 -0.572 -1.270 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.089 -1.829 -3.185 1.00 0.00 C ATOM 0 H ILE A 50 -7.465 1.934 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.544 1.776 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.224 0.071 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.764 -0.417 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.771 0.218 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.038 -1.628 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.124 -0.158 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.705 -0.465 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.084 -2.244 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.552 -1.806 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.544 -2.451 -2.475 1.00 0.00 H new ATOM 775 N GLN A 51 -5.175 2.513 -0.573 1.00 0.00 N ATOM 776 CA GLN A 51 -3.809 3.071 -0.281 1.00 0.00 C ATOM 777 C GLN A 51 -3.014 2.070 0.572 1.00 0.00 C ATOM 778 O GLN A 51 -3.544 1.414 1.448 1.00 0.00 O ATOM 779 CB GLN A 51 -3.940 4.436 0.442 1.00 0.00 C ATOM 780 CG GLN A 51 -2.837 5.392 -0.052 1.00 0.00 C ATOM 781 CD GLN A 51 -2.873 6.710 0.727 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.798 6.965 1.472 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.889 7.568 0.583 1.00 0.00 N ATOM 0 H GLN A 51 -5.770 2.380 0.245 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.272 3.231 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.922 4.868 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.859 4.297 1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.861 4.921 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.969 5.589 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.113 7.353 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.901 8.449 1.097 1.00 0.00 H new ATOM 792 N ILE A 52 -1.743 1.941 0.287 1.00 0.00 N ATOM 793 CA ILE A 52 -0.873 0.978 1.027 1.00 0.00 C ATOM 794 C ILE A 52 -0.162 1.670 2.193 1.00 0.00 C ATOM 795 O ILE A 52 0.167 2.838 2.131 1.00 0.00 O ATOM 796 CB ILE A 52 0.202 0.452 0.073 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.445 -0.112 -1.201 1.00 0.00 C ATOM 798 CG2 ILE A 52 1.027 -0.631 0.772 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.478 -1.189 -0.856 1.00 0.00 C ATOM 0 H ILE A 52 -1.264 2.472 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.499 0.172 1.409 1.00 0.00 H new ATOM 0 HB ILE A 52 0.859 1.274 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.925 0.693 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.324 -0.533 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.791 -1.003 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.504 -0.210 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.374 -1.452 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.923 -1.574 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.990 -2.003 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.258 -0.758 -0.228 1.00 0.00 H new ATOM 811 N LYS A 53 0.110 0.939 3.244 1.00 0.00 N ATOM 812 CA LYS A 53 0.840 1.526 4.406 1.00 0.00 C ATOM 813 C LYS A 53 2.343 1.421 4.134 1.00 0.00 C ATOM 814 O LYS A 53 2.795 0.502 3.482 1.00 0.00 O ATOM 815 CB LYS A 53 0.467 0.757 5.693 1.00 0.00 C ATOM 816 CG LYS A 53 0.546 1.690 6.930 1.00 0.00 C ATOM 817 CD LYS A 53 -0.830 2.331 7.224 1.00 0.00 C ATOM 818 CE LYS A 53 -1.623 1.457 8.203 1.00 0.00 C ATOM 819 NZ LYS A 53 -3.032 1.938 8.266 1.00 0.00 N ATOM 0 H LYS A 53 -0.144 -0.044 3.347 1.00 0.00 H new ATOM 0 HA LYS A 53 0.566 2.572 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.540 0.351 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.141 -0.089 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.881 1.122 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.286 2.471 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.693 3.328 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.390 2.450 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.597 0.416 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.169 1.497 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.571 1.346 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.047 2.926 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.462 1.878 7.321 1.00 0.00 H new ATOM 833 N ARG A 54 3.119 2.358 4.617 1.00 0.00 N ATOM 834 CA ARG A 54 4.596 2.314 4.375 1.00 0.00 C ATOM 835 C ARG A 54 5.311 1.791 5.625 1.00 0.00 C ATOM 836 O ARG A 54 6.292 1.085 5.543 1.00 0.00 O ATOM 837 CB ARG A 54 5.106 3.726 4.062 1.00 0.00 C ATOM 838 CG ARG A 54 5.040 4.605 5.322 1.00 0.00 C ATOM 839 CD ARG A 54 5.157 6.101 4.943 1.00 0.00 C ATOM 840 NE ARG A 54 6.154 6.786 5.833 1.00 0.00 N ATOM 841 CZ ARG A 54 6.134 6.623 7.130 1.00 0.00 C ATOM 842 NH1 ARG A 54 5.195 5.916 7.690 1.00 0.00 N ATOM 843 NH2 ARG A 54 7.045 7.193 7.871 1.00 0.00 N ATOM 0 H ARG A 54 2.795 3.152 5.169 1.00 0.00 H new ATOM 0 HA ARG A 54 4.800 1.652 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.132 3.678 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.506 4.170 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.101 4.429 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.844 4.333 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.463 6.197 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.184 6.584 5.035 1.00 0.00 H new ATOM 0 HE ARG A 54 6.862 7.391 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.470 5.486 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.185 5.792 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.771 7.764 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.031 7.067 8.883 1.00 0.00 H new ATOM 857 N LYS A 55 4.839 2.157 6.783 1.00 0.00 N ATOM 858 CA LYS A 55 5.508 1.709 8.039 1.00 0.00 C ATOM 859 C LYS A 55 5.392 0.187 8.216 1.00 0.00 C ATOM 860 O LYS A 55 6.377 -0.521 8.186 1.00 0.00 O ATOM 861 CB LYS A 55 4.865 2.427 9.242 1.00 0.00 C ATOM 862 CG LYS A 55 3.310 2.457 9.112 1.00 0.00 C ATOM 863 CD LYS A 55 2.793 3.898 8.971 1.00 0.00 C ATOM 864 CE LYS A 55 2.840 4.602 10.330 1.00 0.00 C ATOM 865 NZ LYS A 55 1.702 4.135 11.172 1.00 0.00 N ATOM 0 H LYS A 55 4.018 2.748 6.916 1.00 0.00 H new ATOM 0 HA LYS A 55 6.567 1.961 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.146 1.920 10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.247 3.446 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.003 1.871 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.860 1.990 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.400 4.443 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.772 3.892 8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.786 4.390 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.786 5.682 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.579 4.780 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.832 4.122 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.900 3.176 11.523 1.00 0.00 H new ATOM 879 N GLN A 56 4.209 -0.325 8.415 1.00 0.00 N ATOM 880 CA GLN A 56 4.057 -1.796 8.613 1.00 0.00 C ATOM 881 C GLN A 56 4.546 -2.558 7.377 1.00 0.00 C ATOM 882 O GLN A 56 4.838 -3.735 7.445 1.00 0.00 O ATOM 883 CB GLN A 56 2.581 -2.122 8.863 1.00 0.00 C ATOM 884 CG GLN A 56 2.446 -3.564 9.360 1.00 0.00 C ATOM 885 CD GLN A 56 1.015 -3.804 9.844 1.00 0.00 C ATOM 886 OE1 GLN A 56 0.301 -2.870 10.151 1.00 0.00 O ATOM 887 NE2 GLN A 56 0.563 -5.025 9.928 1.00 0.00 N ATOM 0 H GLN A 56 3.341 0.210 8.449 1.00 0.00 H new ATOM 0 HA GLN A 56 4.656 -2.101 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.167 -1.433 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.009 -1.989 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.692 -4.261 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.151 -3.748 10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.162 -5.809 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.389 -5.195 10.251 1.00 0.00 H new ATOM 896 N PHE A 57 4.627 -1.906 6.245 1.00 0.00 N ATOM 897 CA PHE A 57 5.083 -2.607 5.001 1.00 0.00 C ATOM 898 C PHE A 57 6.596 -2.395 4.794 1.00 0.00 C ATOM 899 O PHE A 57 7.353 -3.343 4.735 1.00 0.00 O ATOM 900 CB PHE A 57 4.291 -2.044 3.800 1.00 0.00 C ATOM 901 CG PHE A 57 4.046 -3.124 2.755 1.00 0.00 C ATOM 902 CD1 PHE A 57 5.050 -4.050 2.430 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.806 -3.190 2.107 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.811 -5.031 1.464 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.569 -4.174 1.141 1.00 0.00 C ATOM 906 CZ PHE A 57 3.572 -5.094 0.818 1.00 0.00 C ATOM 0 H PHE A 57 4.398 -0.919 6.126 1.00 0.00 H new ATOM 0 HA PHE A 57 4.901 -3.678 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.338 -1.643 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.842 -1.217 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.008 -4.004 2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.031 -2.480 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.585 -5.742 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.611 -4.223 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.390 -5.852 0.071 1.00 0.00 H new ATOM 916 N GLU A 58 7.032 -1.168 4.660 1.00 0.00 N ATOM 917 CA GLU A 58 8.489 -0.898 4.431 1.00 0.00 C ATOM 918 C GLU A 58 9.356 -1.801 5.316 1.00 0.00 C ATOM 919 O GLU A 58 10.462 -2.154 4.957 1.00 0.00 O ATOM 920 CB GLU A 58 8.796 0.571 4.749 1.00 0.00 C ATOM 921 CG GLU A 58 10.266 0.885 4.436 1.00 0.00 C ATOM 922 CD GLU A 58 11.162 0.402 5.581 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.797 0.619 6.725 1.00 0.00 O ATOM 924 OE2 GLU A 58 12.197 -0.177 5.294 1.00 0.00 O ATOM 0 H GLU A 58 6.442 -0.337 4.699 1.00 0.00 H new ATOM 0 HA GLU A 58 8.719 -1.108 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.145 1.221 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.589 0.774 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.559 0.400 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.394 1.958 4.291 1.00 0.00 H new ATOM 931 N LYS A 59 8.873 -2.179 6.466 1.00 0.00 N ATOM 932 CA LYS A 59 9.694 -3.047 7.356 1.00 0.00 C ATOM 933 C LYS A 59 9.835 -4.434 6.740 1.00 0.00 C ATOM 934 O LYS A 59 10.902 -5.016 6.743 1.00 0.00 O ATOM 935 CB LYS A 59 9.002 -3.196 8.712 1.00 0.00 C ATOM 936 CG LYS A 59 8.993 -1.852 9.449 1.00 0.00 C ATOM 937 CD LYS A 59 10.432 -1.422 9.801 1.00 0.00 C ATOM 938 CE LYS A 59 10.423 -0.581 11.080 1.00 0.00 C ATOM 939 NZ LYS A 59 11.794 -0.060 11.345 1.00 0.00 N ATOM 0 H LYS A 59 7.953 -1.927 6.827 1.00 0.00 H new ATOM 0 HA LYS A 59 10.675 -2.589 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.980 -3.549 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.518 -3.945 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.522 -1.092 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.398 -1.933 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.061 -2.302 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.861 -0.848 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.722 0.247 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.083 -1.184 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.786 0.511 12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.452 -0.857 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.102 0.530 10.546 1.00 0.00 H new ATOM 953 N ILE A 60 8.765 -4.980 6.228 1.00 0.00 N ATOM 954 CA ILE A 60 8.832 -6.345 5.631 1.00 0.00 C ATOM 955 C ILE A 60 8.957 -6.263 4.110 1.00 0.00 C ATOM 956 O ILE A 60 8.439 -7.097 3.401 1.00 0.00 O ATOM 957 CB ILE A 60 7.556 -7.109 5.981 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.339 -6.256 5.611 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.534 -7.413 7.481 1.00 0.00 C ATOM 960 CD1 ILE A 60 5.062 -7.073 5.802 1.00 0.00 C ATOM 0 H ILE A 60 7.846 -4.539 6.197 1.00 0.00 H new ATOM 0 HA ILE A 60 9.706 -6.858 6.032 1.00 0.00 H new ATOM 0 HB ILE A 60 7.527 -8.046 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.307 -5.362 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.418 -5.922 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.623 -7.958 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.402 -8.019 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.562 -6.479 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.197 -6.464 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.094 -7.954 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.982 -7.385 6.843 1.00 0.00 H new ATOM 972 N ILE A 61 9.622 -5.274 3.587 1.00 0.00 N ATOM 973 CA ILE A 61 9.737 -5.185 2.102 1.00 0.00 C ATOM 974 C ILE A 61 10.751 -6.232 1.598 1.00 0.00 C ATOM 975 O ILE A 61 10.604 -6.783 0.526 1.00 0.00 O ATOM 976 CB ILE A 61 10.158 -3.741 1.711 1.00 0.00 C ATOM 977 CG1 ILE A 61 9.412 -3.285 0.442 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.668 -3.642 1.467 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.601 -4.299 -0.697 1.00 0.00 C ATOM 0 H ILE A 61 10.086 -4.532 4.112 1.00 0.00 H new ATOM 0 HA ILE A 61 8.777 -5.400 1.632 1.00 0.00 H new ATOM 0 HB ILE A 61 9.895 -3.092 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.350 -3.171 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.780 -2.308 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.926 -2.618 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.202 -3.923 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.951 -4.314 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.065 -3.956 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.662 -4.393 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.210 -5.269 -0.389 1.00 0.00 H new ATOM 991 N ASP A 62 11.782 -6.502 2.362 1.00 0.00 N ATOM 992 CA ASP A 62 12.812 -7.503 1.925 1.00 0.00 C ATOM 993 C ASP A 62 12.536 -8.872 2.561 1.00 0.00 C ATOM 994 O ASP A 62 13.228 -9.836 2.300 1.00 0.00 O ATOM 995 CB ASP A 62 14.196 -7.017 2.362 1.00 0.00 C ATOM 996 CG ASP A 62 15.247 -8.066 1.996 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.094 -8.695 0.961 1.00 0.00 O ATOM 998 OD2 ASP A 62 16.189 -8.223 2.756 1.00 0.00 O ATOM 0 H ASP A 62 11.957 -6.073 3.271 1.00 0.00 H new ATOM 0 HA ASP A 62 12.770 -7.604 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.429 -6.069 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.207 -6.837 3.437 1.00 0.00 H new ATOM 1003 N THR A 63 11.540 -8.965 3.397 1.00 0.00 N ATOM 1004 CA THR A 63 11.225 -10.271 4.059 1.00 0.00 C ATOM 1005 C THR A 63 10.315 -11.094 3.144 1.00 0.00 C ATOM 1006 O THR A 63 10.062 -12.259 3.381 1.00 0.00 O ATOM 1007 CB THR A 63 10.542 -9.968 5.416 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.425 -10.323 6.470 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.211 -10.721 5.603 1.00 0.00 C ATOM 0 H THR A 63 10.926 -8.192 3.654 1.00 0.00 H new ATOM 0 HA THR A 63 12.130 -10.852 4.239 1.00 0.00 H new ATOM 0 HB THR A 63 10.315 -8.902 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.999 -10.132 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.782 -10.467 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.517 -10.435 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.391 -11.795 5.556 1.00 0.00 H new ATOM 1017 N LEU A 64 9.809 -10.492 2.115 1.00 0.00 N ATOM 1018 CA LEU A 64 8.897 -11.230 1.206 1.00 0.00 C ATOM 1019 C LEU A 64 9.718 -12.191 0.337 1.00 0.00 C ATOM 1020 O LEU A 64 9.431 -12.389 -0.827 1.00 0.00 O ATOM 1021 CB LEU A 64 8.129 -10.237 0.311 1.00 0.00 C ATOM 1022 CG LEU A 64 7.935 -8.883 1.020 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.231 -7.906 0.076 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.092 -9.066 2.295 1.00 0.00 C ATOM 0 H LEU A 64 9.986 -9.520 1.861 1.00 0.00 H new ATOM 0 HA LEU A 64 8.178 -11.798 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.674 -10.088 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.157 -10.656 0.049 1.00 0.00 H new ATOM 0 HG LEU A 64 8.912 -8.485 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.094 -6.949 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.838 -7.763 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.259 -8.310 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.962 -8.102 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.116 -9.473 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.600 -9.753 2.972 1.00 0.00 H new