USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 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 13 THR OG1 : rot 151:sc= -1.81! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= 0.163 F(o=-8.4,f=-5.9) USER MOD Set 1.3: A 51 GLN : amide:sc= -4.26! C(o=-5.9!,f=-12!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -156:sc= -2.18 USER MOD Single : A 20 SER OG : rot -31:sc= 1.09 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 28 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.031) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -0.251 (180deg=-2.63!) USER MOD Single : A 39 ASN : amide:sc= -0.062 K(o=-0.062,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc=-0.00332 K(o=-0.0033,f=-0.6) USER MOD Single : A 45 MET CE :methyl -120:sc= -0.0314 (180deg=-4.18!) USER MOD Single : A 48 ASN : amide:sc= -0.81! X(o=-0.81!,f=-0.47) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0187) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.927 (180deg=-2.6!) USER MOD Single : A 56 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.24) USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -0.0276 (180deg=-0.88) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -1.125 13.490 -3.981 1.00 0.00 N ATOM 2 CA ILE A 6 -0.184 14.139 -3.024 1.00 0.00 C ATOM 3 C ILE A 6 1.217 13.533 -3.236 1.00 0.00 C ATOM 4 O ILE A 6 1.337 12.368 -3.557 1.00 0.00 O ATOM 5 CB ILE A 6 -0.699 13.879 -1.574 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.283 15.167 -0.976 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.416 13.363 -0.643 1.00 0.00 C ATOM 8 CD1 ILE A 6 -2.101 14.822 0.271 1.00 0.00 C ATOM 0 HA ILE A 6 -0.128 15.215 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.469 13.111 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.480 15.858 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.913 15.669 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.009 13.197 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.812 12.426 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.216 14.101 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.517 15.735 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.912 14.147 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.457 14.338 1.006 1.00 0.00 H new ATOM 20 N PRO A 7 2.273 14.296 -3.046 1.00 0.00 N ATOM 21 CA PRO A 7 3.651 13.765 -3.215 1.00 0.00 C ATOM 22 C PRO A 7 3.813 12.398 -2.528 1.00 0.00 C ATOM 23 O PRO A 7 3.159 12.097 -1.549 1.00 0.00 O ATOM 24 CB PRO A 7 4.572 14.839 -2.597 1.00 0.00 C ATOM 25 CG PRO A 7 3.674 15.924 -2.059 1.00 0.00 C ATOM 26 CD PRO A 7 2.283 15.718 -2.667 1.00 0.00 C ATOM 0 HA PRO A 7 3.896 13.586 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.183 14.413 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.256 15.239 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.627 15.878 -0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.064 16.908 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.495 15.946 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.124 16.363 -3.531 1.00 0.00 H new ATOM 34 N ILE A 8 4.661 11.566 -3.062 1.00 0.00 N ATOM 35 CA ILE A 8 4.868 10.210 -2.499 1.00 0.00 C ATOM 36 C ILE A 8 5.818 10.256 -1.284 1.00 0.00 C ATOM 37 O ILE A 8 5.852 9.348 -0.477 1.00 0.00 O ATOM 38 CB ILE A 8 5.486 9.358 -3.608 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.557 7.916 -3.150 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.876 9.871 -3.939 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.142 7.050 -4.267 1.00 0.00 C ATOM 0 H ILE A 8 5.230 11.776 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 8 3.921 9.793 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 8 4.868 9.421 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.174 7.838 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.562 7.559 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.311 9.260 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.811 10.906 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.505 9.816 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.192 6.013 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.507 7.118 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.144 7.401 -4.513 1.00 0.00 H new ATOM 53 N TRP A 9 6.606 11.292 -1.169 1.00 0.00 N ATOM 54 CA TRP A 9 7.587 11.400 -0.030 1.00 0.00 C ATOM 55 C TRP A 9 6.931 12.094 1.171 1.00 0.00 C ATOM 56 O TRP A 9 7.278 11.834 2.307 1.00 0.00 O ATOM 57 CB TRP A 9 8.814 12.223 -0.504 1.00 0.00 C ATOM 58 CG TRP A 9 8.391 13.050 -1.671 1.00 0.00 C ATOM 59 CD1 TRP A 9 7.727 14.227 -1.601 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.532 12.742 -3.080 1.00 0.00 C ATOM 61 NE1 TRP A 9 7.464 14.663 -2.881 1.00 0.00 N ATOM 62 CE2 TRP A 9 7.933 13.780 -3.828 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.118 11.671 -3.776 1.00 0.00 C ATOM 64 CZ2 TRP A 9 7.907 13.757 -5.216 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.088 11.641 -5.177 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.481 12.681 -5.893 1.00 0.00 C ATOM 0 H TRP A 9 6.618 12.079 -1.818 1.00 0.00 H new ATOM 0 HA TRP A 9 7.902 10.402 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.180 12.860 0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.633 11.560 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.449 14.740 -0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.981 15.534 -3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.593 10.869 -3.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.447 14.564 -5.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.535 10.813 -5.707 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.457 12.650 -6.972 1.00 0.00 H new ATOM 77 N GLU A 10 5.999 12.980 0.932 1.00 0.00 N ATOM 78 CA GLU A 10 5.329 13.707 2.058 1.00 0.00 C ATOM 79 C GLU A 10 3.925 13.124 2.262 1.00 0.00 C ATOM 80 O GLU A 10 2.924 13.793 2.098 1.00 0.00 O ATOM 81 CB GLU A 10 5.248 15.208 1.704 1.00 0.00 C ATOM 82 CG GLU A 10 6.465 15.962 2.264 1.00 0.00 C ATOM 83 CD GLU A 10 7.767 15.280 1.831 1.00 0.00 C ATOM 84 OE1 GLU A 10 8.027 14.184 2.296 1.00 0.00 O ATOM 85 OE2 GLU A 10 8.491 15.876 1.050 1.00 0.00 O ATOM 0 H GLU A 10 5.670 13.234 0.001 1.00 0.00 H new ATOM 0 HA GLU A 10 5.896 13.591 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.204 15.330 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.331 15.634 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.454 16.994 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.410 15.996 3.352 1.00 0.00 H new ATOM 92 N ARG A 11 3.859 11.874 2.631 1.00 0.00 N ATOM 93 CA ARG A 11 2.543 11.216 2.868 1.00 0.00 C ATOM 94 C ARG A 11 2.722 10.121 3.917 1.00 0.00 C ATOM 95 O ARG A 11 3.775 9.991 4.508 1.00 0.00 O ATOM 96 CB ARG A 11 1.991 10.618 1.564 1.00 0.00 C ATOM 97 CG ARG A 11 3.108 9.982 0.723 1.00 0.00 C ATOM 98 CD ARG A 11 3.603 8.677 1.362 1.00 0.00 C ATOM 99 NE ARG A 11 4.618 8.976 2.409 1.00 0.00 N ATOM 100 CZ ARG A 11 4.958 8.048 3.261 1.00 0.00 C ATOM 101 NH1 ARG A 11 4.382 6.878 3.213 1.00 0.00 N ATOM 102 NH2 ARG A 11 5.868 8.295 4.164 1.00 0.00 N ATOM 0 H ARG A 11 4.670 11.274 2.780 1.00 0.00 H new ATOM 0 HA ARG A 11 1.828 11.957 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.236 9.867 1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.496 11.398 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.741 9.782 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.938 10.681 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.764 8.136 1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.035 8.030 0.599 1.00 0.00 H new ATOM 0 HE ARG A 11 5.045 9.901 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.667 6.690 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.647 6.152 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.312 9.212 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.135 7.571 4.831 1.00 0.00 H new ATOM 116 N TYR A 12 1.696 9.344 4.167 1.00 0.00 N ATOM 117 CA TYR A 12 1.790 8.256 5.192 1.00 0.00 C ATOM 118 C TYR A 12 1.467 6.907 4.542 1.00 0.00 C ATOM 119 O TYR A 12 1.786 5.864 5.076 1.00 0.00 O ATOM 120 CB TYR A 12 0.792 8.540 6.321 1.00 0.00 C ATOM 121 CG TYR A 12 -0.525 9.005 5.738 1.00 0.00 C ATOM 122 CD1 TYR A 12 -0.633 10.285 5.176 1.00 0.00 C ATOM 123 CD2 TYR A 12 -1.639 8.156 5.758 1.00 0.00 C ATOM 124 CE1 TYR A 12 -1.852 10.713 4.636 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.858 8.585 5.218 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.964 9.862 4.656 1.00 0.00 C ATOM 127 OH TYR A 12 -4.166 10.285 4.125 1.00 0.00 O ATOM 0 H TYR A 12 0.791 9.417 3.702 1.00 0.00 H new ATOM 0 HA TYR A 12 2.801 8.222 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.639 7.641 6.918 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.193 9.302 6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.225 10.941 5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.558 7.170 6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.935 11.699 4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.716 7.930 5.235 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.833 9.573 4.218 1.00 0.00 H new ATOM 137 N THR A 13 0.840 6.917 3.390 1.00 0.00 N ATOM 138 CA THR A 13 0.493 5.632 2.699 1.00 0.00 C ATOM 139 C THR A 13 0.702 5.794 1.186 1.00 0.00 C ATOM 140 O THR A 13 0.648 6.886 0.659 1.00 0.00 O ATOM 141 CB THR A 13 -0.979 5.286 2.990 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.752 6.475 2.925 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.139 4.657 4.392 1.00 0.00 C ATOM 0 H THR A 13 0.552 7.762 2.896 1.00 0.00 H new ATOM 0 HA THR A 13 1.134 4.829 3.064 1.00 0.00 H new ATOM 0 HB THR A 13 -1.319 4.563 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.665 6.257 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.189 4.424 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.549 3.742 4.450 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.792 5.361 5.148 1.00 0.00 H new ATOM 151 N LEU A 14 0.957 4.707 0.489 1.00 0.00 N ATOM 152 CA LEU A 14 1.191 4.774 -0.996 1.00 0.00 C ATOM 153 C LEU A 14 0.020 4.126 -1.742 1.00 0.00 C ATOM 154 O LEU A 14 -0.565 3.170 -1.288 1.00 0.00 O ATOM 155 CB LEU A 14 2.494 4.015 -1.337 1.00 0.00 C ATOM 156 CG LEU A 14 3.692 4.967 -1.299 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.024 5.335 0.148 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.900 4.284 -1.927 1.00 0.00 C ATOM 0 H LEU A 14 1.014 3.770 0.887 1.00 0.00 H new ATOM 0 HA LEU A 14 1.275 5.817 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.645 3.202 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.411 3.564 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 14 3.444 5.872 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.878 6.013 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.164 5.824 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.267 4.431 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.755 4.960 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.137 3.378 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.674 4.024 -2.961 1.00 0.00 H new ATOM 170 N THR A 15 -0.312 4.639 -2.895 1.00 0.00 N ATOM 171 CA THR A 15 -1.433 4.051 -3.676 1.00 0.00 C ATOM 172 C THR A 15 -0.947 2.819 -4.417 1.00 0.00 C ATOM 173 O THR A 15 0.189 2.410 -4.286 1.00 0.00 O ATOM 174 CB THR A 15 -1.933 5.062 -4.698 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.831 5.572 -5.428 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.644 6.199 -3.983 1.00 0.00 C ATOM 0 H THR A 15 0.146 5.441 -3.329 1.00 0.00 H new ATOM 0 HA THR A 15 -2.238 3.784 -2.991 1.00 0.00 H new ATOM 0 HB THR A 15 -2.630 4.578 -5.382 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.060 6.452 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.002 6.922 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.490 5.803 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.951 6.688 -3.299 1.00 0.00 H new ATOM 184 N ILE A 16 -1.791 2.234 -5.216 1.00 0.00 N ATOM 185 CA ILE A 16 -1.358 1.051 -5.977 1.00 0.00 C ATOM 186 C ILE A 16 -0.270 1.506 -6.956 1.00 0.00 C ATOM 187 O ILE A 16 0.675 0.796 -7.229 1.00 0.00 O ATOM 188 CB ILE A 16 -2.553 0.472 -6.751 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.458 -0.341 -5.795 1.00 0.00 C ATOM 190 CG2 ILE A 16 -2.049 -0.415 -7.901 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.928 -1.771 -5.613 1.00 0.00 C ATOM 0 H ILE A 16 -2.756 2.528 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.972 0.279 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.139 1.289 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.509 0.157 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.473 -0.374 -6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.900 -0.823 -8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.436 0.180 -8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.453 -1.232 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.584 -2.319 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.901 -2.275 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.922 -1.736 -5.194 1.00 0.00 H new ATOM 203 N GLU A 17 -0.410 2.694 -7.485 1.00 0.00 N ATOM 204 CA GLU A 17 0.607 3.207 -8.446 1.00 0.00 C ATOM 205 C GLU A 17 1.896 3.535 -7.691 1.00 0.00 C ATOM 206 O GLU A 17 2.966 3.101 -8.069 1.00 0.00 O ATOM 207 CB GLU A 17 0.087 4.453 -9.180 1.00 0.00 C ATOM 208 CG GLU A 17 -0.530 5.445 -8.191 1.00 0.00 C ATOM 209 CD GLU A 17 -1.117 6.631 -8.958 1.00 0.00 C ATOM 210 OE1 GLU A 17 -0.354 7.507 -9.330 1.00 0.00 O ATOM 211 OE2 GLU A 17 -2.320 6.643 -9.160 1.00 0.00 O ATOM 0 H GLU A 17 -1.184 3.329 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 17 0.808 2.438 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.905 4.931 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.657 4.161 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.309 4.955 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.227 5.792 -7.487 1.00 0.00 H new ATOM 218 N GLU A 18 1.818 4.275 -6.613 1.00 0.00 N ATOM 219 CA GLU A 18 3.055 4.578 -5.858 1.00 0.00 C ATOM 220 C GLU A 18 3.578 3.264 -5.284 1.00 0.00 C ATOM 221 O GLU A 18 4.765 3.034 -5.222 1.00 0.00 O ATOM 222 CB GLU A 18 2.760 5.572 -4.722 1.00 0.00 C ATOM 223 CG GLU A 18 2.178 6.885 -5.273 1.00 0.00 C ATOM 224 CD GLU A 18 3.007 7.394 -6.455 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.826 6.879 -7.546 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.805 8.293 -6.251 1.00 0.00 O ATOM 0 H GLU A 18 0.960 4.674 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 18 3.797 5.033 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.057 5.126 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.676 5.780 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.147 6.727 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.159 7.638 -4.485 1.00 0.00 H new ATOM 233 N ALA A 19 2.700 2.384 -4.883 1.00 0.00 N ATOM 234 CA ALA A 19 3.169 1.081 -4.339 1.00 0.00 C ATOM 235 C ALA A 19 3.828 0.283 -5.463 1.00 0.00 C ATOM 236 O ALA A 19 4.906 -0.236 -5.315 1.00 0.00 O ATOM 237 CB ALA A 19 1.991 0.286 -3.773 1.00 0.00 C ATOM 0 H ALA A 19 1.688 2.511 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 19 3.885 1.263 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.350 -0.665 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.519 0.856 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.264 0.100 -4.564 1.00 0.00 H new ATOM 243 N SER A 20 3.196 0.172 -6.594 1.00 0.00 N ATOM 244 CA SER A 20 3.824 -0.601 -7.699 1.00 0.00 C ATOM 245 C SER A 20 5.239 -0.062 -7.968 1.00 0.00 C ATOM 246 O SER A 20 6.162 -0.810 -8.189 1.00 0.00 O ATOM 247 CB SER A 20 2.969 -0.479 -8.954 1.00 0.00 C ATOM 248 OG SER A 20 2.947 0.878 -9.379 1.00 0.00 O ATOM 0 H SER A 20 2.283 0.577 -6.801 1.00 0.00 H new ATOM 0 HA SER A 20 3.894 -1.651 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.371 -1.113 -9.744 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.955 -0.825 -8.752 1.00 0.00 H new ATOM 0 HG SER A 20 3.027 1.466 -8.599 1.00 0.00 H new ATOM 254 N LYS A 21 5.426 1.227 -7.947 1.00 0.00 N ATOM 255 CA LYS A 21 6.796 1.778 -8.185 1.00 0.00 C ATOM 256 C LYS A 21 7.641 1.601 -6.914 1.00 0.00 C ATOM 257 O LYS A 21 8.693 0.997 -6.919 1.00 0.00 O ATOM 258 CB LYS A 21 6.693 3.266 -8.527 1.00 0.00 C ATOM 259 CG LYS A 21 8.095 3.838 -8.753 1.00 0.00 C ATOM 260 CD LYS A 21 7.988 5.235 -9.372 1.00 0.00 C ATOM 261 CE LYS A 21 7.060 6.112 -8.525 1.00 0.00 C ATOM 262 NZ LYS A 21 7.329 7.547 -8.823 1.00 0.00 N ATOM 0 H LYS A 21 4.698 1.921 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 21 7.266 1.247 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.085 3.403 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.196 3.802 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.634 3.889 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.665 3.181 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.976 5.691 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.605 5.163 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.019 5.873 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.220 5.913 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.700 8.145 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.319 7.769 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.155 7.731 -9.832 1.00 0.00 H new ATOM 276 N TYR A 22 7.164 2.148 -5.835 1.00 0.00 N ATOM 277 CA TYR A 22 7.874 2.070 -4.517 1.00 0.00 C ATOM 278 C TYR A 22 7.874 0.615 -4.000 1.00 0.00 C ATOM 279 O TYR A 22 8.906 0.011 -3.785 1.00 0.00 O ATOM 280 CB TYR A 22 7.077 2.961 -3.553 1.00 0.00 C ATOM 281 CG TYR A 22 7.931 3.527 -2.444 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.108 2.802 -1.262 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.502 4.800 -2.580 1.00 0.00 C ATOM 284 CE1 TYR A 22 8.864 3.342 -0.216 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.254 5.346 -1.534 1.00 0.00 C ATOM 286 CZ TYR A 22 9.436 4.616 -0.351 1.00 0.00 C ATOM 287 OH TYR A 22 10.176 5.151 0.683 1.00 0.00 O ATOM 0 H TYR A 22 6.284 2.663 -5.805 1.00 0.00 H new ATOM 0 HA TYR A 22 8.911 2.394 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.624 3.780 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.262 2.382 -3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.661 1.825 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.361 5.360 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.007 2.779 0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.693 6.327 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 22 10.502 6.039 0.427 1.00 0.00 H new ATOM 297 N PHE A 23 6.703 0.066 -3.817 1.00 0.00 N ATOM 298 CA PHE A 23 6.548 -1.339 -3.331 1.00 0.00 C ATOM 299 C PHE A 23 6.356 -2.255 -4.535 1.00 0.00 C ATOM 300 O PHE A 23 5.279 -2.756 -4.763 1.00 0.00 O ATOM 301 CB PHE A 23 5.309 -1.443 -2.433 1.00 0.00 C ATOM 302 CG PHE A 23 5.624 -0.927 -1.057 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.482 0.432 -0.772 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.053 -1.812 -0.067 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.770 0.912 0.508 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.344 -1.341 1.213 1.00 0.00 C ATOM 307 CZ PHE A 23 6.203 0.023 1.503 1.00 0.00 C ATOM 0 H PHE A 23 5.820 0.547 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 23 7.434 -1.629 -2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.488 -0.871 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.979 -2.480 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.149 1.113 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.160 -2.863 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.660 1.963 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.677 -2.026 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.428 0.390 2.494 1.00 0.00 H new ATOM 317 N ARG A 24 7.364 -2.435 -5.329 1.00 0.00 N ATOM 318 CA ARG A 24 7.214 -3.291 -6.541 1.00 0.00 C ATOM 319 C ARG A 24 6.620 -4.654 -6.190 1.00 0.00 C ATOM 320 O ARG A 24 7.315 -5.643 -6.065 1.00 0.00 O ATOM 321 CB ARG A 24 8.574 -3.461 -7.213 1.00 0.00 C ATOM 322 CG ARG A 24 8.989 -2.127 -7.866 1.00 0.00 C ATOM 323 CD ARG A 24 8.398 -2.007 -9.281 1.00 0.00 C ATOM 324 NE ARG A 24 9.347 -2.597 -10.265 1.00 0.00 N ATOM 325 CZ ARG A 24 8.944 -2.876 -11.474 1.00 0.00 C ATOM 326 NH1 ARG A 24 7.705 -2.652 -11.817 1.00 0.00 N ATOM 327 NH2 ARG A 24 9.781 -3.381 -12.339 1.00 0.00 N ATOM 0 H ARG A 24 8.290 -2.028 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 24 6.526 -2.800 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.319 -3.768 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.525 -4.248 -7.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.647 -1.294 -7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.076 -2.063 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.438 -2.522 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.211 -0.960 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 24 10.312 -2.783 -9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.051 -2.259 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.390 -2.870 -12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.749 -3.557 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.467 -3.600 -13.285 1.00 0.00 H new ATOM 341 N ILE A 25 5.321 -4.701 -6.069 1.00 0.00 N ATOM 342 CA ILE A 25 4.606 -5.974 -5.764 1.00 0.00 C ATOM 343 C ILE A 25 3.624 -6.228 -6.905 1.00 0.00 C ATOM 344 O ILE A 25 3.280 -5.326 -7.643 1.00 0.00 O ATOM 345 CB ILE A 25 3.815 -5.828 -4.457 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.748 -5.553 -3.265 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.014 -7.103 -4.195 1.00 0.00 C ATOM 348 CD1 ILE A 25 5.891 -6.570 -3.212 1.00 0.00 C ATOM 0 H ILE A 25 4.711 -3.890 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 25 5.317 -6.793 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 25 3.139 -4.979 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.157 -4.546 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.178 -5.593 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.453 -6.996 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.321 -7.273 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.695 -7.950 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.534 -6.351 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.480 -7.574 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.474 -6.510 -4.131 1.00 0.00 H new ATOM 360 N GLY A 26 3.165 -7.434 -7.066 1.00 0.00 N ATOM 361 CA GLY A 26 2.204 -7.708 -8.171 1.00 0.00 C ATOM 362 C GLY A 26 1.081 -6.668 -8.139 1.00 0.00 C ATOM 363 O GLY A 26 0.284 -6.633 -7.224 1.00 0.00 O ATOM 0 H GLY A 26 3.409 -8.237 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.718 -7.674 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.789 -8.711 -8.066 1.00 0.00 H new ATOM 367 N GLU A 27 1.010 -5.822 -9.133 1.00 0.00 N ATOM 368 CA GLU A 27 -0.066 -4.786 -9.163 1.00 0.00 C ATOM 369 C GLU A 27 -1.405 -5.444 -8.814 1.00 0.00 C ATOM 370 O GLU A 27 -2.124 -5.006 -7.935 1.00 0.00 O ATOM 371 CB GLU A 27 -0.152 -4.196 -10.573 1.00 0.00 C ATOM 372 CG GLU A 27 1.020 -3.242 -10.804 1.00 0.00 C ATOM 373 CD GLU A 27 2.338 -4.009 -10.676 1.00 0.00 C ATOM 374 OE1 GLU A 27 2.648 -4.769 -11.579 1.00 0.00 O ATOM 375 OE2 GLU A 27 3.016 -3.822 -9.679 1.00 0.00 O ATOM 0 H GLU A 27 1.651 -5.803 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 27 0.158 -3.998 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.134 -4.995 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.096 -3.665 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.945 -2.790 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.989 -2.429 -10.079 1.00 0.00 H new ATOM 382 N ASN A 28 -1.735 -6.499 -9.505 1.00 0.00 N ATOM 383 CA ASN A 28 -3.016 -7.214 -9.243 1.00 0.00 C ATOM 384 C ASN A 28 -2.991 -7.855 -7.854 1.00 0.00 C ATOM 385 O ASN A 28 -4.022 -8.078 -7.251 1.00 0.00 O ATOM 386 CB ASN A 28 -3.203 -8.305 -10.295 1.00 0.00 C ATOM 387 CG ASN A 28 -3.562 -7.667 -11.637 1.00 0.00 C ATOM 388 OD1 ASN A 28 -2.938 -6.712 -12.056 1.00 0.00 O ATOM 389 ND2 ASN A 28 -4.550 -8.156 -12.335 1.00 0.00 N ATOM 0 H ASN A 28 -1.165 -6.901 -10.249 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.839 -6.500 -9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.289 -8.891 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.991 -8.992 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.798 -7.737 -13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.074 -8.958 -11.984 1.00 0.00 H new ATOM 396 N LYS A 29 -1.831 -8.156 -7.335 1.00 0.00 N ATOM 397 CA LYS A 29 -1.773 -8.780 -5.987 1.00 0.00 C ATOM 398 C LYS A 29 -2.224 -7.745 -4.964 1.00 0.00 C ATOM 399 O LYS A 29 -3.151 -7.959 -4.210 1.00 0.00 O ATOM 400 CB LYS A 29 -0.334 -9.204 -5.684 1.00 0.00 C ATOM 401 CG LYS A 29 -0.275 -10.005 -4.370 1.00 0.00 C ATOM 402 CD LYS A 29 1.100 -9.824 -3.719 1.00 0.00 C ATOM 403 CE LYS A 29 1.335 -10.937 -2.700 1.00 0.00 C ATOM 404 NZ LYS A 29 2.521 -10.603 -1.860 1.00 0.00 N ATOM 0 H LYS A 29 -0.929 -7.997 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.419 -9.657 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.054 -9.809 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.303 -8.323 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.057 -9.667 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.459 -11.061 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.880 -9.844 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.157 -8.852 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.454 -11.060 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.495 -11.886 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.680 -11.362 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.360 -10.507 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.351 -9.707 -1.360 1.00 0.00 H new ATOM 418 N LEU A 30 -1.573 -6.618 -4.948 1.00 0.00 N ATOM 419 CA LEU A 30 -1.948 -5.536 -3.993 1.00 0.00 C ATOM 420 C LEU A 30 -3.473 -5.380 -3.968 1.00 0.00 C ATOM 421 O LEU A 30 -4.071 -5.208 -2.924 1.00 0.00 O ATOM 422 CB LEU A 30 -1.313 -4.225 -4.457 1.00 0.00 C ATOM 423 CG LEU A 30 0.219 -4.332 -4.420 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.824 -3.121 -5.140 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.719 -4.367 -2.963 1.00 0.00 C ATOM 0 H LEU A 30 -0.789 -6.396 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.595 -5.788 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.644 -3.991 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.643 -3.407 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 30 0.525 -5.252 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.912 -3.190 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.483 -3.105 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.508 -2.205 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.806 -4.443 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.414 -3.454 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.290 -5.229 -2.452 1.00 0.00 H new ATOM 437 N ARG A 31 -4.107 -5.442 -5.108 1.00 0.00 N ATOM 438 CA ARG A 31 -5.592 -5.301 -5.142 1.00 0.00 C ATOM 439 C ARG A 31 -6.227 -6.466 -4.372 1.00 0.00 C ATOM 440 O ARG A 31 -6.982 -6.270 -3.440 1.00 0.00 O ATOM 441 CB ARG A 31 -6.081 -5.327 -6.599 1.00 0.00 C ATOM 442 CG ARG A 31 -5.904 -3.945 -7.244 1.00 0.00 C ATOM 443 CD ARG A 31 -6.513 -3.951 -8.655 1.00 0.00 C ATOM 444 NE ARG A 31 -5.805 -2.948 -9.514 1.00 0.00 N ATOM 445 CZ ARG A 31 -5.651 -1.711 -9.125 1.00 0.00 C ATOM 446 NH1 ARG A 31 -6.279 -1.265 -8.072 1.00 0.00 N ATOM 447 NH2 ARG A 31 -4.909 -0.899 -9.828 1.00 0.00 N ATOM 0 H ARG A 31 -3.663 -5.584 -6.015 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.878 -4.355 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.523 -6.074 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.130 -5.620 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.387 -3.183 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.846 -3.690 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.428 -4.945 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.576 -3.715 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.436 -3.237 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.896 -1.884 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.153 -0.297 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.452 -1.232 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.786 0.068 -9.528 1.00 0.00 H new ATOM 461 N ARG A 32 -5.932 -7.676 -4.765 1.00 0.00 N ATOM 462 CA ARG A 32 -6.521 -8.856 -4.070 1.00 0.00 C ATOM 463 C ARG A 32 -6.118 -8.849 -2.593 1.00 0.00 C ATOM 464 O ARG A 32 -6.838 -9.337 -1.748 1.00 0.00 O ATOM 465 CB ARG A 32 -6.011 -10.144 -4.729 1.00 0.00 C ATOM 466 CG ARG A 32 -6.444 -10.195 -6.206 1.00 0.00 C ATOM 467 CD ARG A 32 -7.855 -10.786 -6.326 1.00 0.00 C ATOM 468 NE ARG A 32 -7.863 -12.173 -5.780 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.997 -12.761 -5.509 1.00 0.00 C ATOM 470 NH1 ARG A 32 -10.123 -12.134 -5.715 1.00 0.00 N ATOM 471 NH2 ARG A 32 -9.004 -13.976 -5.032 1.00 0.00 N ATOM 0 H ARG A 32 -5.307 -7.898 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.607 -8.808 -4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.924 -10.191 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.402 -11.012 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.425 -9.192 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.739 -10.799 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.568 -10.166 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.170 -10.793 -7.369 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.983 -12.663 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.117 -11.185 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.009 -12.593 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.124 -14.466 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.890 -14.436 -4.820 1.00 0.00 H new ATOM 485 N LEU A 33 -4.975 -8.307 -2.275 1.00 0.00 N ATOM 486 CA LEU A 33 -4.531 -8.281 -0.852 1.00 0.00 C ATOM 487 C LEU A 33 -5.506 -7.433 -0.025 1.00 0.00 C ATOM 488 O LEU A 33 -5.897 -7.804 1.064 1.00 0.00 O ATOM 489 CB LEU A 33 -3.112 -7.681 -0.783 1.00 0.00 C ATOM 490 CG LEU A 33 -2.344 -8.244 0.432 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.725 -9.606 0.084 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.222 -7.276 0.824 1.00 0.00 C ATOM 0 H LEU A 33 -4.329 -7.881 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.517 -9.293 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.570 -7.909 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.173 -6.595 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.041 -8.364 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.186 -9.992 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.515 -10.304 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.034 -9.489 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.681 -7.675 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.536 -7.156 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.651 -6.308 1.083 1.00 0.00 H new ATOM 504 N ALA A 34 -5.897 -6.300 -0.534 1.00 0.00 N ATOM 505 CA ALA A 34 -6.843 -5.426 0.217 1.00 0.00 C ATOM 506 C ALA A 34 -8.259 -5.990 0.111 1.00 0.00 C ATOM 507 O ALA A 34 -8.847 -6.418 1.084 1.00 0.00 O ATOM 508 CB ALA A 34 -6.820 -4.025 -0.393 1.00 0.00 C ATOM 0 H ALA A 34 -5.602 -5.939 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.544 -5.384 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.510 -3.380 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.812 -3.616 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.122 -4.079 -1.439 1.00 0.00 H new ATOM 514 N GLU A 35 -8.811 -5.982 -1.070 1.00 0.00 N ATOM 515 CA GLU A 35 -10.194 -6.502 -1.265 1.00 0.00 C ATOM 516 C GLU A 35 -10.374 -7.829 -0.515 1.00 0.00 C ATOM 517 O GLU A 35 -11.481 -8.252 -0.250 1.00 0.00 O ATOM 518 CB GLU A 35 -10.435 -6.712 -2.763 1.00 0.00 C ATOM 519 CG GLU A 35 -10.719 -5.363 -3.431 1.00 0.00 C ATOM 520 CD GLU A 35 -10.927 -5.568 -4.933 1.00 0.00 C ATOM 521 OE1 GLU A 35 -9.937 -5.665 -5.640 1.00 0.00 O ATOM 522 OE2 GLU A 35 -12.071 -5.622 -5.351 1.00 0.00 O ATOM 0 H GLU A 35 -8.360 -5.635 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.913 -5.784 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.563 -7.179 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.276 -7.389 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.605 -4.907 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.889 -4.678 -3.259 1.00 0.00 H new ATOM 529 N GLU A 36 -9.301 -8.488 -0.167 1.00 0.00 N ATOM 530 CA GLU A 36 -9.420 -9.773 0.565 1.00 0.00 C ATOM 531 C GLU A 36 -9.569 -9.482 2.061 1.00 0.00 C ATOM 532 O GLU A 36 -10.496 -9.935 2.703 1.00 0.00 O ATOM 533 CB GLU A 36 -8.155 -10.599 0.309 1.00 0.00 C ATOM 534 CG GLU A 36 -8.097 -11.772 1.281 1.00 0.00 C ATOM 535 CD GLU A 36 -7.064 -12.792 0.799 1.00 0.00 C ATOM 536 OE1 GLU A 36 -7.024 -13.047 -0.394 1.00 0.00 O ATOM 537 OE2 GLU A 36 -6.331 -13.301 1.630 1.00 0.00 O ATOM 0 H GLU A 36 -8.346 -8.187 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.292 -10.331 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.151 -10.965 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.271 -9.973 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.834 -11.418 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.078 -12.242 1.358 1.00 0.00 H new ATOM 544 N ASN A 37 -8.656 -8.727 2.617 1.00 0.00 N ATOM 545 CA ASN A 37 -8.721 -8.391 4.075 1.00 0.00 C ATOM 546 C ASN A 37 -9.156 -6.934 4.240 1.00 0.00 C ATOM 547 O ASN A 37 -8.437 -6.119 4.778 1.00 0.00 O ATOM 548 CB ASN A 37 -7.335 -8.578 4.699 1.00 0.00 C ATOM 549 CG ASN A 37 -6.999 -10.070 4.763 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.530 -10.789 5.586 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.134 -10.568 3.922 1.00 0.00 N ATOM 0 H ASN A 37 -7.861 -8.325 2.120 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.438 -9.046 4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.585 -8.051 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.314 -8.147 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.904 -11.561 3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.688 -9.964 3.231 1.00 0.00 H new ATOM 558 N LYS A 38 -10.330 -6.598 3.778 1.00 0.00 N ATOM 559 CA LYS A 38 -10.817 -5.193 3.908 1.00 0.00 C ATOM 560 C LYS A 38 -10.566 -4.693 5.337 1.00 0.00 C ATOM 561 O LYS A 38 -10.527 -3.506 5.595 1.00 0.00 O ATOM 562 CB LYS A 38 -12.326 -5.154 3.587 1.00 0.00 C ATOM 563 CG LYS A 38 -12.709 -3.795 2.973 1.00 0.00 C ATOM 564 CD LYS A 38 -12.393 -3.788 1.462 1.00 0.00 C ATOM 565 CE LYS A 38 -13.584 -4.341 0.669 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.169 -4.588 -0.741 1.00 0.00 N ATOM 0 H LYS A 38 -10.975 -7.238 3.315 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.283 -4.547 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.578 -5.957 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.902 -5.325 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.770 -3.602 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.161 -2.995 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.169 -2.773 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.505 -4.390 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.939 -5.267 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.413 -3.634 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.899 -4.224 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.268 -4.103 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.050 -5.610 -0.894 1.00 0.00 H new ATOM 580 N ASN A 39 -10.399 -5.597 6.264 1.00 0.00 N ATOM 581 CA ASN A 39 -10.152 -5.201 7.681 1.00 0.00 C ATOM 582 C ASN A 39 -8.647 -5.219 7.952 1.00 0.00 C ATOM 583 O ASN A 39 -8.205 -5.250 9.084 1.00 0.00 O ATOM 584 CB ASN A 39 -10.846 -6.203 8.604 1.00 0.00 C ATOM 585 CG ASN A 39 -12.355 -5.950 8.592 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.799 -4.877 8.236 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.168 -6.901 8.967 1.00 0.00 N ATOM 0 H ASN A 39 -10.423 -6.603 6.099 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.543 -4.200 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.635 -7.221 8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.459 -6.107 9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.176 -6.742 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.795 -7.802 9.266 1.00 0.00 H new ATOM 594 N ALA A 40 -7.860 -5.205 6.915 1.00 0.00 N ATOM 595 CA ALA A 40 -6.382 -5.225 7.085 1.00 0.00 C ATOM 596 C ALA A 40 -5.947 -4.045 7.963 1.00 0.00 C ATOM 597 O ALA A 40 -6.462 -2.953 7.856 1.00 0.00 O ATOM 598 CB ALA A 40 -5.723 -5.117 5.699 1.00 0.00 C ATOM 0 H ALA A 40 -8.181 -5.180 5.947 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.076 -6.153 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.639 -5.131 5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.035 -5.959 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.028 -4.185 5.223 1.00 0.00 H new ATOM 604 N ASN A 41 -4.995 -4.255 8.820 1.00 0.00 N ATOM 605 CA ASN A 41 -4.514 -3.140 9.680 1.00 0.00 C ATOM 606 C ASN A 41 -3.573 -2.245 8.862 1.00 0.00 C ATOM 607 O ASN A 41 -3.007 -1.301 9.376 1.00 0.00 O ATOM 608 CB ASN A 41 -3.763 -3.712 10.884 1.00 0.00 C ATOM 609 CG ASN A 41 -4.686 -4.655 11.659 1.00 0.00 C ATOM 610 OD1 ASN A 41 -4.862 -5.797 11.282 1.00 0.00 O ATOM 611 ND2 ASN A 41 -5.287 -4.223 12.734 1.00 0.00 N ATOM 0 H ASN A 41 -4.527 -5.150 8.965 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.362 -2.553 10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.874 -4.248 10.551 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.424 -2.904 11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.904 -4.844 13.258 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.139 -3.265 13.051 1.00 0.00 H new ATOM 618 N TRP A 42 -3.381 -2.555 7.594 1.00 0.00 N ATOM 619 CA TRP A 42 -2.447 -1.747 6.734 1.00 0.00 C ATOM 620 C TRP A 42 -3.176 -1.138 5.527 1.00 0.00 C ATOM 621 O TRP A 42 -2.672 -0.230 4.899 1.00 0.00 O ATOM 622 CB TRP A 42 -1.335 -2.661 6.215 1.00 0.00 C ATOM 623 CG TRP A 42 -1.946 -3.889 5.620 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.069 -5.076 6.255 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.523 -4.071 4.293 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.687 -5.975 5.406 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.986 -5.404 4.185 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.689 -3.220 3.185 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.594 -5.876 3.022 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.300 -3.692 2.011 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.752 -5.017 1.930 1.00 0.00 C ATOM 0 H TRP A 42 -3.833 -3.335 7.118 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.043 -0.937 7.341 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.738 -2.139 5.468 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.662 -2.933 7.028 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.738 -5.287 7.261 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.897 -6.943 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.345 -2.198 3.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.940 -6.897 2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.422 -3.030 1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.222 -5.374 1.025 1.00 0.00 H new ATOM 642 N LEU A 43 -4.339 -1.619 5.169 1.00 0.00 N ATOM 643 CA LEU A 43 -5.036 -1.043 3.980 1.00 0.00 C ATOM 644 C LEU A 43 -5.902 0.143 4.419 1.00 0.00 C ATOM 645 O LEU A 43 -6.350 0.222 5.544 1.00 0.00 O ATOM 646 CB LEU A 43 -5.865 -2.166 3.308 1.00 0.00 C ATOM 647 CG LEU A 43 -7.357 -2.183 3.744 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.515 -2.142 5.285 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.145 -1.020 3.073 1.00 0.00 C ATOM 0 H LEU A 43 -4.831 -2.377 5.642 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.322 -0.664 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.813 -2.047 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.415 -3.130 3.545 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.781 -3.128 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.574 -2.156 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.024 -3.010 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.059 -1.231 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.186 -1.053 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.706 -0.066 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.096 -1.125 1.989 1.00 0.00 H new ATOM 661 N ILE A 44 -6.106 1.090 3.540 1.00 0.00 N ATOM 662 CA ILE A 44 -6.907 2.295 3.889 1.00 0.00 C ATOM 663 C ILE A 44 -7.781 2.661 2.687 1.00 0.00 C ATOM 664 O ILE A 44 -7.374 2.525 1.552 1.00 0.00 O ATOM 665 CB ILE A 44 -5.920 3.440 4.216 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.591 3.429 5.719 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.507 4.805 3.833 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.278 4.173 5.959 1.00 0.00 C ATOM 0 H ILE A 44 -5.747 1.077 2.586 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.551 2.114 4.749 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.012 3.280 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.397 3.901 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.510 2.403 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.790 5.590 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.718 4.823 2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.430 4.973 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.045 4.165 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.476 3.682 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.376 5.203 5.616 1.00 0.00 H new ATOM 680 N MET A 45 -8.976 3.133 2.938 1.00 0.00 N ATOM 681 CA MET A 45 -9.894 3.524 1.824 1.00 0.00 C ATOM 682 C MET A 45 -10.109 5.034 1.852 1.00 0.00 C ATOM 683 O MET A 45 -10.846 5.555 2.665 1.00 0.00 O ATOM 684 CB MET A 45 -11.242 2.821 2.000 1.00 0.00 C ATOM 685 CG MET A 45 -11.052 1.286 2.019 1.00 0.00 C ATOM 686 SD MET A 45 -12.374 0.495 1.062 1.00 0.00 S ATOM 687 CE MET A 45 -11.774 0.938 -0.592 1.00 0.00 C ATOM 0 H MET A 45 -9.358 3.265 3.874 1.00 0.00 H new ATOM 0 HA MET A 45 -9.452 3.232 0.872 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.711 3.147 2.928 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.914 3.101 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.080 1.025 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.065 0.921 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.527 1.537 -1.104 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.852 1.513 -0.503 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.582 0.031 -1.164 1.00 0.00 H new ATOM 697 N ASN A 46 -9.476 5.739 0.958 1.00 0.00 N ATOM 698 CA ASN A 46 -9.642 7.221 0.909 1.00 0.00 C ATOM 699 C ASN A 46 -10.793 7.545 -0.040 1.00 0.00 C ATOM 700 O ASN A 46 -10.594 7.790 -1.215 1.00 0.00 O ATOM 701 CB ASN A 46 -8.351 7.861 0.393 1.00 0.00 C ATOM 702 CG ASN A 46 -7.235 7.662 1.422 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.522 7.703 2.695 1.00 0.00 O flip ATOM 704 ND2 ASN A 46 -6.091 7.468 1.063 1.00 0.00 N flip ATOM 0 H ASN A 46 -8.847 5.352 0.254 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.858 7.611 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.066 7.413 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.507 8.924 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.867 7.436 0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.354 7.337 1.756 1.00 0.00 H new ATOM 711 N GLY A 47 -12.000 7.522 0.453 1.00 0.00 N ATOM 712 CA GLY A 47 -13.165 7.803 -0.428 1.00 0.00 C ATOM 713 C GLY A 47 -13.449 6.563 -1.260 1.00 0.00 C ATOM 714 O GLY A 47 -14.488 5.944 -1.147 1.00 0.00 O ATOM 0 H GLY A 47 -12.229 7.321 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.038 8.066 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.954 8.654 -1.076 1.00 0.00 H new ATOM 718 N ASN A 48 -12.525 6.196 -2.103 1.00 0.00 N ATOM 719 CA ASN A 48 -12.729 4.995 -2.956 1.00 0.00 C ATOM 720 C ASN A 48 -11.373 4.372 -3.323 1.00 0.00 C ATOM 721 O ASN A 48 -11.280 3.194 -3.605 1.00 0.00 O ATOM 722 CB ASN A 48 -13.473 5.423 -4.222 1.00 0.00 C ATOM 723 CG ASN A 48 -14.144 4.208 -4.864 1.00 0.00 C ATOM 724 OD1 ASN A 48 -15.104 4.342 -5.596 1.00 0.00 O ATOM 725 ND2 ASN A 48 -13.672 3.018 -4.617 1.00 0.00 N ATOM 0 H ASN A 48 -11.636 6.678 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.312 4.249 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.222 6.177 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.778 5.881 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.109 2.198 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.866 2.907 -4.002 1.00 0.00 H new ATOM 732 N ARG A 49 -10.326 5.155 -3.335 1.00 0.00 N ATOM 733 CA ARG A 49 -8.985 4.609 -3.699 1.00 0.00 C ATOM 734 C ARG A 49 -8.369 3.861 -2.512 1.00 0.00 C ATOM 735 O ARG A 49 -8.306 4.367 -1.409 1.00 0.00 O ATOM 736 CB ARG A 49 -8.063 5.766 -4.090 1.00 0.00 C ATOM 737 CG ARG A 49 -8.471 6.313 -5.463 1.00 0.00 C ATOM 738 CD ARG A 49 -7.840 7.695 -5.671 1.00 0.00 C ATOM 739 NE ARG A 49 -8.417 8.345 -6.895 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.343 7.783 -8.073 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.618 6.714 -8.254 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.957 8.327 -9.087 1.00 0.00 N ATOM 0 H ARG A 49 -10.342 6.149 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.101 3.917 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.119 6.557 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.028 5.425 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.146 5.631 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.557 6.383 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.021 8.321 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.759 7.598 -5.776 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.879 9.250 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.102 6.309 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.567 6.283 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.491 9.186 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.903 7.893 -10.009 1.00 0.00 H new ATOM 756 N ILE A 50 -7.891 2.666 -2.743 1.00 0.00 N ATOM 757 CA ILE A 50 -7.250 1.883 -1.646 1.00 0.00 C ATOM 758 C ILE A 50 -5.780 2.300 -1.549 1.00 0.00 C ATOM 759 O ILE A 50 -5.057 2.237 -2.524 1.00 0.00 O ATOM 760 CB ILE A 50 -7.340 0.385 -1.973 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.788 -0.081 -1.806 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.438 -0.415 -1.027 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.946 -1.485 -2.393 1.00 0.00 C ATOM 0 H ILE A 50 -7.917 2.197 -3.648 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.755 2.074 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.013 0.222 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.060 -0.084 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.464 0.612 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.509 -1.476 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.406 -0.085 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.757 -0.254 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.978 -1.815 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.691 -1.467 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.282 -2.174 -1.872 1.00 0.00 H new ATOM 775 N GLN A 51 -5.326 2.728 -0.389 1.00 0.00 N ATOM 776 CA GLN A 51 -3.892 3.151 -0.247 1.00 0.00 C ATOM 777 C GLN A 51 -3.114 2.109 0.569 1.00 0.00 C ATOM 778 O GLN A 51 -3.636 1.483 1.470 1.00 0.00 O ATOM 779 CB GLN A 51 -3.817 4.544 0.425 1.00 0.00 C ATOM 780 CG GLN A 51 -2.648 5.350 -0.173 1.00 0.00 C ATOM 781 CD GLN A 51 -2.578 6.743 0.456 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.414 7.103 1.260 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.602 7.552 0.118 1.00 0.00 N ATOM 0 H GLN A 51 -5.885 2.802 0.461 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.438 3.220 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.754 5.080 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.681 4.432 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.710 4.821 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.774 5.438 -1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.900 7.250 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.545 8.483 0.530 1.00 0.00 H new ATOM 792 N ILE A 52 -1.866 1.920 0.231 1.00 0.00 N ATOM 793 CA ILE A 52 -1.010 0.921 0.937 1.00 0.00 C ATOM 794 C ILE A 52 -0.256 1.593 2.085 1.00 0.00 C ATOM 795 O ILE A 52 0.100 2.751 2.009 1.00 0.00 O ATOM 796 CB ILE A 52 0.025 0.370 -0.049 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.669 -0.212 -1.291 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.856 -0.710 0.637 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.725 -1.245 -0.889 1.00 0.00 C ATOM 0 H ILE A 52 -1.395 2.426 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.644 0.124 1.326 1.00 0.00 H new ATOM 0 HB ILE A 52 0.677 1.183 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.137 0.590 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.071 -0.676 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.593 -1.102 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.368 -0.283 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.202 -1.518 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.203 -1.644 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.249 -2.057 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.476 -0.771 -0.257 1.00 0.00 H new ATOM 811 N LYS A 53 0.016 0.869 3.142 1.00 0.00 N ATOM 812 CA LYS A 53 0.773 1.470 4.277 1.00 0.00 C ATOM 813 C LYS A 53 2.265 1.412 3.959 1.00 0.00 C ATOM 814 O LYS A 53 2.728 0.533 3.261 1.00 0.00 O ATOM 815 CB LYS A 53 0.479 0.705 5.583 1.00 0.00 C ATOM 816 CG LYS A 53 0.638 1.650 6.786 1.00 0.00 C ATOM 817 CD LYS A 53 0.787 0.834 8.074 1.00 0.00 C ATOM 818 CE LYS A 53 0.505 1.722 9.290 1.00 0.00 C ATOM 819 NZ LYS A 53 0.507 0.888 10.525 1.00 0.00 N ATOM 0 H LYS A 53 -0.253 -0.107 3.266 1.00 0.00 H new ATOM 0 HA LYS A 53 0.465 2.507 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.533 0.300 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.159 -0.141 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.511 2.287 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.228 2.308 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.098 -0.010 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.794 0.422 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.260 2.504 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.458 2.219 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.265 1.481 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.194 0.126 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.451 0.475 10.663 1.00 0.00 H new ATOM 833 N ARG A 54 3.015 2.354 4.458 1.00 0.00 N ATOM 834 CA ARG A 54 4.482 2.384 4.191 1.00 0.00 C ATOM 835 C ARG A 54 5.243 1.907 5.435 1.00 0.00 C ATOM 836 O ARG A 54 6.147 1.107 5.354 1.00 0.00 O ATOM 837 CB ARG A 54 4.886 3.827 3.875 1.00 0.00 C ATOM 838 CG ARG A 54 6.367 3.891 3.482 1.00 0.00 C ATOM 839 CD ARG A 54 6.798 5.355 3.345 1.00 0.00 C ATOM 840 NE ARG A 54 8.287 5.435 3.374 1.00 0.00 N ATOM 841 CZ ARG A 54 8.891 6.529 2.994 1.00 0.00 C ATOM 842 NH1 ARG A 54 8.192 7.551 2.583 1.00 0.00 N ATOM 843 NH2 ARG A 54 10.194 6.599 3.029 1.00 0.00 N ATOM 0 H ARG A 54 2.671 3.113 5.046 1.00 0.00 H new ATOM 0 HA ARG A 54 4.722 1.730 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.270 4.215 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.705 4.461 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.976 3.391 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.527 3.364 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.418 5.772 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.375 5.948 4.156 1.00 0.00 H new ATOM 0 HE ARG A 54 8.834 4.635 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.174 7.496 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.664 8.405 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.739 5.800 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.667 7.453 2.733 1.00 0.00 H new ATOM 857 N LYS A 55 4.902 2.419 6.583 1.00 0.00 N ATOM 858 CA LYS A 55 5.631 2.023 7.825 1.00 0.00 C ATOM 859 C LYS A 55 5.560 0.506 8.057 1.00 0.00 C ATOM 860 O LYS A 55 6.563 -0.176 8.022 1.00 0.00 O ATOM 861 CB LYS A 55 5.020 2.752 9.031 1.00 0.00 C ATOM 862 CG LYS A 55 4.886 4.270 8.734 1.00 0.00 C ATOM 863 CD LYS A 55 3.440 4.618 8.323 1.00 0.00 C ATOM 864 CE LYS A 55 2.584 4.850 9.573 1.00 0.00 C ATOM 865 NZ LYS A 55 1.143 4.879 9.192 1.00 0.00 N ATOM 0 H LYS A 55 4.150 3.095 6.718 1.00 0.00 H new ATOM 0 HA LYS A 55 6.678 2.301 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.041 2.332 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.646 2.601 9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.167 4.845 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.574 4.552 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.435 5.511 7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.017 3.809 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.763 4.058 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.864 5.790 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.568 4.516 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.860 5.857 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.994 4.284 8.352 1.00 0.00 H new ATOM 879 N GLN A 56 4.397 -0.027 8.316 1.00 0.00 N ATOM 880 CA GLN A 56 4.298 -1.496 8.575 1.00 0.00 C ATOM 881 C GLN A 56 4.736 -2.289 7.340 1.00 0.00 C ATOM 882 O GLN A 56 5.267 -3.376 7.452 1.00 0.00 O ATOM 883 CB GLN A 56 2.855 -1.863 8.929 1.00 0.00 C ATOM 884 CG GLN A 56 2.816 -3.273 9.518 1.00 0.00 C ATOM 885 CD GLN A 56 3.379 -3.247 10.941 1.00 0.00 C ATOM 886 OE1 GLN A 56 2.885 -2.530 11.789 1.00 0.00 O ATOM 887 NE2 GLN A 56 4.400 -4.003 11.240 1.00 0.00 N ATOM 0 H GLN A 56 3.516 0.485 8.360 1.00 0.00 H new ATOM 0 HA GLN A 56 4.955 -1.746 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.452 -1.147 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.227 -1.812 8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.792 -3.647 9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.398 -3.954 8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.815 -4.605 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.783 -3.992 12.185 1.00 0.00 H new ATOM 896 N PHE A 57 4.511 -1.769 6.165 1.00 0.00 N ATOM 897 CA PHE A 57 4.911 -2.514 4.935 1.00 0.00 C ATOM 898 C PHE A 57 6.416 -2.325 4.682 1.00 0.00 C ATOM 899 O PHE A 57 7.166 -3.281 4.650 1.00 0.00 O ATOM 900 CB PHE A 57 4.088 -1.987 3.741 1.00 0.00 C ATOM 901 CG PHE A 57 3.807 -3.103 2.745 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.802 -4.036 2.411 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.544 -3.195 2.149 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.531 -5.051 1.489 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.273 -4.213 1.226 1.00 0.00 C ATOM 906 CZ PHE A 57 3.267 -5.140 0.895 1.00 0.00 C ATOM 0 H PHE A 57 4.069 -0.864 6.002 1.00 0.00 H new ATOM 0 HA PHE A 57 4.715 -3.579 5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.148 -1.567 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.630 -1.181 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.779 -3.969 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.776 -2.479 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.298 -5.767 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.297 -4.282 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.059 -5.924 0.182 1.00 0.00 H new ATOM 916 N GLU A 58 6.855 -1.107 4.491 1.00 0.00 N ATOM 917 CA GLU A 58 8.309 -0.847 4.227 1.00 0.00 C ATOM 918 C GLU A 58 9.182 -1.738 5.118 1.00 0.00 C ATOM 919 O GLU A 58 10.283 -2.105 4.757 1.00 0.00 O ATOM 920 CB GLU A 58 8.627 0.625 4.526 1.00 0.00 C ATOM 921 CG GLU A 58 10.081 0.927 4.164 1.00 0.00 C ATOM 922 CD GLU A 58 10.380 2.400 4.447 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.651 3.239 3.945 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.333 2.665 5.163 1.00 0.00 O ATOM 0 H GLU A 58 6.267 -0.274 4.506 1.00 0.00 H new ATOM 0 HA GLU A 58 8.520 -1.071 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.960 1.273 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.454 0.836 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.751 0.291 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.259 0.704 3.112 1.00 0.00 H new ATOM 931 N LYS A 59 8.703 -2.091 6.277 1.00 0.00 N ATOM 932 CA LYS A 59 9.519 -2.947 7.183 1.00 0.00 C ATOM 933 C LYS A 59 9.629 -4.348 6.588 1.00 0.00 C ATOM 934 O LYS A 59 10.695 -4.931 6.543 1.00 0.00 O ATOM 935 CB LYS A 59 8.828 -3.037 8.563 1.00 0.00 C ATOM 936 CG LYS A 59 9.465 -2.051 9.555 1.00 0.00 C ATOM 937 CD LYS A 59 9.575 -0.642 8.920 1.00 0.00 C ATOM 938 CE LYS A 59 9.264 0.428 9.970 1.00 0.00 C ATOM 939 NZ LYS A 59 10.012 0.124 11.222 1.00 0.00 N ATOM 0 H LYS A 59 7.786 -1.826 6.636 1.00 0.00 H new ATOM 0 HA LYS A 59 10.513 -2.514 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.765 -2.819 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.908 -4.053 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.866 -2.001 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.455 -2.405 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.578 -0.491 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.882 -0.555 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.544 1.413 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.193 0.456 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.261 1.012 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.418 -0.454 11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.880 -0.399 10.989 1.00 0.00 H new ATOM 953 N ILE A 60 8.532 -4.907 6.162 1.00 0.00 N ATOM 954 CA ILE A 60 8.569 -6.288 5.606 1.00 0.00 C ATOM 955 C ILE A 60 8.736 -6.272 4.084 1.00 0.00 C ATOM 956 O ILE A 60 8.223 -7.127 3.401 1.00 0.00 O ATOM 957 CB ILE A 60 7.268 -7.009 5.962 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.079 -6.190 5.462 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.172 -7.166 7.480 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.776 -6.916 5.802 1.00 0.00 C ATOM 0 H ILE A 60 7.611 -4.468 6.175 1.00 0.00 H new ATOM 0 HA ILE A 60 9.424 -6.808 6.039 1.00 0.00 H new ATOM 0 HB ILE A 60 7.257 -7.992 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.087 -5.201 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.154 -6.042 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.245 -7.680 7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.020 -7.748 7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.182 -6.182 7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.929 -6.330 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.769 -7.895 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.700 -7.041 6.882 1.00 0.00 H new ATOM 972 N ILE A 61 9.444 -5.323 3.528 1.00 0.00 N ATOM 973 CA ILE A 61 9.606 -5.318 2.038 1.00 0.00 C ATOM 974 C ILE A 61 10.721 -6.293 1.633 1.00 0.00 C ATOM 975 O ILE A 61 10.652 -6.930 0.601 1.00 0.00 O ATOM 976 CB ILE A 61 9.956 -3.905 1.556 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.176 -3.901 0.029 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.238 -3.436 2.248 1.00 0.00 C ATOM 979 CD1 ILE A 61 8.953 -4.482 -0.694 1.00 0.00 C ATOM 0 H ILE A 61 9.910 -4.565 4.026 1.00 0.00 H new ATOM 0 HA ILE A 61 8.669 -5.631 1.577 1.00 0.00 H new ATOM 0 HB ILE A 61 9.132 -3.234 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.359 -2.883 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.063 -4.485 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.489 -2.432 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 61 11.086 -3.425 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.053 -4.117 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.127 -4.471 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.788 -5.508 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.074 -3.881 -0.462 1.00 0.00 H new ATOM 991 N ASP A 62 11.750 -6.413 2.433 1.00 0.00 N ATOM 992 CA ASP A 62 12.871 -7.345 2.089 1.00 0.00 C ATOM 993 C ASP A 62 12.610 -8.718 2.719 1.00 0.00 C ATOM 994 O ASP A 62 13.361 -9.655 2.531 1.00 0.00 O ATOM 995 CB ASP A 62 14.183 -6.778 2.638 1.00 0.00 C ATOM 996 CG ASP A 62 15.362 -7.563 2.062 1.00 0.00 C ATOM 997 OD1 ASP A 62 15.541 -8.702 2.460 1.00 0.00 O ATOM 998 OD2 ASP A 62 16.068 -7.012 1.234 1.00 0.00 O ATOM 0 H ASP A 62 11.864 -5.906 3.311 1.00 0.00 H new ATOM 0 HA ASP A 62 12.938 -7.450 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.273 -5.724 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.190 -6.838 3.726 1.00 0.00 H new ATOM 1003 N THR A 63 11.553 -8.835 3.470 1.00 0.00 N ATOM 1004 CA THR A 63 11.222 -10.134 4.132 1.00 0.00 C ATOM 1005 C THR A 63 10.380 -10.985 3.177 1.00 0.00 C ATOM 1006 O THR A 63 10.187 -12.167 3.385 1.00 0.00 O ATOM 1007 CB THR A 63 10.449 -9.818 5.434 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.298 -10.048 6.548 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.175 -10.662 5.593 1.00 0.00 C ATOM 0 H THR A 63 10.894 -8.079 3.658 1.00 0.00 H new ATOM 0 HA THR A 63 12.123 -10.697 4.376 1.00 0.00 H new ATOM 0 HB THR A 63 10.142 -8.773 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.813 -9.847 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.676 -10.395 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.505 -10.471 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.439 -11.719 5.612 1.00 0.00 H new ATOM 1017 N LEU A 64 9.862 -10.390 2.146 1.00 0.00 N ATOM 1018 CA LEU A 64 9.016 -11.165 1.205 1.00 0.00 C ATOM 1019 C LEU A 64 9.915 -12.063 0.345 1.00 0.00 C ATOM 1020 O LEU A 64 10.404 -13.081 0.794 1.00 0.00 O ATOM 1021 CB LEU A 64 8.209 -10.213 0.299 1.00 0.00 C ATOM 1022 CG LEU A 64 7.901 -8.881 1.004 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.197 -7.955 0.018 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.990 -9.112 2.221 1.00 0.00 C ATOM 0 H LEU A 64 9.986 -9.405 1.914 1.00 0.00 H new ATOM 0 HA LEU A 64 8.316 -11.778 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.769 -10.019 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.276 -10.694 0.006 1.00 0.00 H new ATOM 0 HG LEU A 64 8.834 -8.434 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.973 -7.006 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.845 -7.777 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.269 -8.418 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.783 -8.158 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.053 -9.563 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.487 -9.778 2.926 1.00 0.00 H new TER 1036 LEU A 64