USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= -2.72 F(o=-11,f=-8.6) USER MOD Set 2.2: A 60 ASN : amide:sc= -5.89! C(o=-8.6!,f=-16!) USER MOD Single : A 1 TRP N :NH3+ 159:sc= 0.295 (180deg=0.069) USER MOD Single : A 3 GLN : amide:sc=-0.00725 X(o=-0.0072,f=-0.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.0625 (180deg=-1.12) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.115 (180deg=-0.545) USER MOD Single : A 20 MET CE :methyl 154:sc= -2.91! (180deg=-4.48!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -6.59! C(o=-6.6!,f=-17!) USER MOD Single : A 27 THR OG1 : rot -35:sc= 0.247 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.576 (180deg=-1.57) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 46 THR OG1 : rot -17:sc= 0.193 USER MOD Single : A 48 THR OG1 : rot 44:sc= 0.182 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.44! C(o=-2.4!,f=-9!) USER MOD Single : A 64 SER OG : rot 74:sc= -8.5! USER MOD Single : A 66 LYS NZ :NH3+ 140:sc= -1.06 (180deg=-3.69!) USER MOD Single : A 67 TYR OH : rot 165:sc= -1.3 USER MOD Single : A 69 THR OG1 : rot -160:sc= 0.0214 USER MOD Single : A 73 LYS NZ :NH3+ -117:sc= 0.0518 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.00205 X(o=0.0021,f=-0.076) USER MOD Single : A 76 ASN : amide:sc= -0.327 K(o=-0.33,f=-0.99) USER MOD Single : A 77 SER OG : rot 1:sc= 0.266 USER MOD Single : A 87 ASN : amide:sc= -2.43 K(o=-2.4,f=-7!) USER MOD Single : A 91 ASN : amide:sc= -5.27! C(o=-5.3!,f=-7.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 148:sc= -6.3! (180deg=-11.3!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -147:sc= -1.64 (180deg=-3.52!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 3.514 -23.542 -2.004 1.00 0.00 N ATOM 2 CA TRP A 1 4.517 -22.445 -1.971 1.00 0.00 C ATOM 3 C TRP A 1 4.058 -21.304 -1.068 1.00 0.00 C ATOM 4 O TRP A 1 4.606 -21.098 0.015 1.00 0.00 O ATOM 5 CB TRP A 1 4.731 -21.937 -3.400 1.00 0.00 C ATOM 6 CG TRP A 1 5.247 -22.987 -4.334 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.529 -23.675 -5.271 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.591 -23.471 -4.424 1.00 0.00 C ATOM 9 NE1 TRP A 1 5.344 -24.555 -5.939 1.00 0.00 N ATOM 10 CE2 TRP A 1 6.615 -24.450 -5.437 1.00 0.00 C ATOM 11 CE3 TRP A 1 7.778 -23.173 -3.748 1.00 0.00 C ATOM 12 CZ2 TRP A 1 7.779 -25.130 -5.788 1.00 0.00 C ATOM 13 CZ3 TRP A 1 8.932 -23.850 -4.099 1.00 0.00 C ATOM 14 CH2 TRP A 1 8.925 -24.817 -5.111 1.00 0.00 C ATOM 0 H1 TRP A 1 3.657 -24.117 -2.859 1.00 0.00 H new ATOM 0 H2 TRP A 1 3.626 -24.141 -1.161 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.556 -23.137 -2.015 1.00 0.00 H new ATOM 0 HA TRP A 1 5.453 -22.828 -1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.787 -21.551 -3.785 1.00 0.00 H new ATOM 0 HB3 TRP A 1 5.432 -21.103 -3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.473 -23.545 -5.459 1.00 0.00 H new ATOM 0 HE1 TRP A 1 5.051 -25.184 -6.687 1.00 0.00 H new ATOM 0 HE3 TRP A 1 7.794 -22.428 -2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 7.776 -25.878 -6.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 9.855 -23.629 -3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 1 9.844 -25.326 -5.362 1.00 0.00 H new ATOM 27 N VAL A 2 3.048 -20.566 -1.521 1.00 0.00 N ATOM 28 CA VAL A 2 2.514 -19.446 -0.753 1.00 0.00 C ATOM 29 C VAL A 2 1.856 -19.928 0.535 1.00 0.00 C ATOM 30 O VAL A 2 1.617 -21.122 0.706 1.00 0.00 O ATOM 31 CB VAL A 2 1.489 -18.644 -1.578 1.00 0.00 C ATOM 32 CG1 VAL A 2 2.120 -18.145 -2.869 1.00 0.00 C ATOM 33 CG2 VAL A 2 0.254 -19.485 -1.874 1.00 0.00 C ATOM 0 H VAL A 2 2.584 -20.724 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 2 3.354 -18.798 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 2 1.177 -17.781 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.383 -17.581 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.968 -17.501 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.462 -18.995 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.455 -18.897 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.544 -20.370 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.212 -19.790 -0.937 1.00 0.00 H new ATOM 43 N GLN A 3 1.562 -18.995 1.437 1.00 0.00 N ATOM 44 CA GLN A 3 0.927 -19.335 2.704 1.00 0.00 C ATOM 45 C GLN A 3 -0.594 -19.350 2.552 1.00 0.00 C ATOM 46 O GLN A 3 -1.215 -18.298 2.403 1.00 0.00 O ATOM 47 CB GLN A 3 1.329 -18.335 3.787 1.00 0.00 C ATOM 48 CG GLN A 3 2.748 -18.533 4.300 1.00 0.00 C ATOM 49 CD GLN A 3 2.856 -19.683 5.281 1.00 0.00 C ATOM 50 OE1 GLN A 3 2.053 -19.805 6.206 1.00 0.00 O ATOM 51 NE2 GLN A 3 3.855 -20.536 5.086 1.00 0.00 N ATOM 0 H GLN A 3 1.753 -18.001 1.313 1.00 0.00 H new ATOM 0 HA GLN A 3 1.262 -20.329 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.232 -17.324 3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.634 -18.418 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.414 -18.716 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.088 -17.616 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.498 -20.398 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.979 -21.329 5.716 1.00 0.00 H new ATOM 60 N PRO A 4 -1.218 -20.542 2.576 1.00 0.00 N ATOM 61 CA PRO A 4 -2.667 -20.671 2.429 1.00 0.00 C ATOM 62 C PRO A 4 -3.420 -20.219 3.674 1.00 0.00 C ATOM 63 O PRO A 4 -3.219 -20.755 4.762 1.00 0.00 O ATOM 64 CB PRO A 4 -2.886 -22.174 2.187 1.00 0.00 C ATOM 65 CG PRO A 4 -1.525 -22.763 2.014 1.00 0.00 C ATOM 66 CD PRO A 4 -0.579 -21.852 2.739 1.00 0.00 C ATOM 0 HA PRO A 4 -3.043 -20.042 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.406 -22.633 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.500 -22.342 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.483 -23.773 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.264 -22.835 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.475 -22.126 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.420 -21.874 2.304 1.00 0.00 H new ATOM 74 N ILE A 5 -4.292 -19.233 3.500 1.00 0.00 N ATOM 75 CA ILE A 5 -5.083 -18.712 4.604 1.00 0.00 C ATOM 76 C ILE A 5 -6.548 -19.120 4.455 1.00 0.00 C ATOM 77 O ILE A 5 -7.217 -18.730 3.499 1.00 0.00 O ATOM 78 CB ILE A 5 -4.962 -17.175 4.697 1.00 0.00 C ATOM 79 CG1 ILE A 5 -5.542 -16.669 6.025 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.632 -16.500 3.504 1.00 0.00 C ATOM 81 CD1 ILE A 5 -7.035 -16.426 6.000 1.00 0.00 C ATOM 0 H ILE A 5 -4.468 -18.779 2.604 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.693 -19.141 5.527 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.905 -16.912 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.317 -17.395 6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.039 -15.741 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.532 -15.418 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.154 -16.833 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.689 -16.766 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.362 -16.070 6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.269 -15.676 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.551 -17.356 5.761 1.00 0.00 H new ATOM 93 N THR A 6 -7.030 -19.923 5.396 1.00 0.00 N ATOM 94 CA THR A 6 -8.408 -20.404 5.364 1.00 0.00 C ATOM 95 C THR A 6 -9.397 -19.292 5.696 1.00 0.00 C ATOM 96 O THR A 6 -9.057 -18.324 6.375 1.00 0.00 O ATOM 97 CB THR A 6 -8.585 -21.565 6.345 1.00 0.00 C ATOM 98 OG1 THR A 6 -8.023 -21.247 7.605 1.00 0.00 O ATOM 99 CG2 THR A 6 -7.946 -22.854 5.869 1.00 0.00 C ATOM 0 H THR A 6 -6.487 -20.256 6.193 1.00 0.00 H new ATOM 0 HA THR A 6 -8.615 -20.749 4.351 1.00 0.00 H new ATOM 0 HB THR A 6 -9.662 -21.718 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.148 -22.001 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.108 -23.636 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.394 -23.154 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.876 -22.701 5.732 1.00 0.00 H new ATOM 107 N ALA A 7 -10.627 -19.444 5.209 1.00 0.00 N ATOM 108 CA ALA A 7 -11.677 -18.462 5.449 1.00 0.00 C ATOM 109 C ALA A 7 -11.322 -17.111 4.839 1.00 0.00 C ATOM 110 O ALA A 7 -10.224 -16.594 5.048 1.00 0.00 O ATOM 111 CB ALA A 7 -11.935 -18.317 6.942 1.00 0.00 C ATOM 0 H ALA A 7 -10.919 -20.241 4.644 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.587 -18.819 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.722 -17.580 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.247 -19.278 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.022 -17.989 7.439 1.00 0.00 H new ATOM 117 N GLN A 8 -12.257 -16.545 4.086 1.00 0.00 N ATOM 118 CA GLN A 8 -12.043 -15.251 3.450 1.00 0.00 C ATOM 119 C GLN A 8 -11.949 -14.147 4.497 1.00 0.00 C ATOM 120 O GLN A 8 -12.956 -13.550 4.876 1.00 0.00 O ATOM 121 CB GLN A 8 -13.175 -14.946 2.468 1.00 0.00 C ATOM 122 CG GLN A 8 -13.162 -15.828 1.230 1.00 0.00 C ATOM 123 CD GLN A 8 -12.228 -15.308 0.155 1.00 0.00 C ATOM 124 OE1 GLN A 8 -12.522 -14.319 -0.516 1.00 0.00 O ATOM 125 NE2 GLN A 8 -11.093 -15.977 -0.015 1.00 0.00 N ATOM 0 H GLN A 8 -13.170 -16.961 3.901 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.102 -15.292 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.130 -15.066 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.107 -13.902 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.861 -16.837 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.172 -15.897 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.890 -16.792 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.425 -15.676 -0.724 1.00 0.00 H new ATOM 134 N LYS A 9 -10.733 -13.883 4.962 1.00 0.00 N ATOM 135 CA LYS A 9 -10.505 -12.852 5.967 1.00 0.00 C ATOM 136 C LYS A 9 -9.371 -11.923 5.544 1.00 0.00 C ATOM 137 O LYS A 9 -8.581 -12.256 4.659 1.00 0.00 O ATOM 138 CB LYS A 9 -10.180 -13.492 7.319 1.00 0.00 C ATOM 139 CG LYS A 9 -11.185 -13.157 8.410 1.00 0.00 C ATOM 140 CD LYS A 9 -12.466 -13.959 8.255 1.00 0.00 C ATOM 141 CE LYS A 9 -12.504 -15.140 9.211 1.00 0.00 C ATOM 142 NZ LYS A 9 -13.696 -16.003 8.981 1.00 0.00 N ATOM 0 H LYS A 9 -9.889 -14.369 4.659 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.417 -12.263 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.136 -14.574 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.190 -13.166 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.744 -13.359 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.416 -12.092 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.325 -13.313 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.550 -14.317 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.598 -15.733 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.513 -14.775 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.490 -16.972 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.505 -15.628 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.927 -16.013 7.967 1.00 0.00 H new ATOM 156 N PRO A 10 -9.273 -10.740 6.173 1.00 0.00 N ATOM 157 CA PRO A 10 -8.233 -9.759 5.864 1.00 0.00 C ATOM 158 C PRO A 10 -6.878 -10.145 6.457 1.00 0.00 C ATOM 159 O PRO A 10 -6.275 -9.378 7.208 1.00 0.00 O ATOM 160 CB PRO A 10 -8.749 -8.458 6.497 1.00 0.00 C ATOM 161 CG PRO A 10 -10.099 -8.769 7.061 1.00 0.00 C ATOM 162 CD PRO A 10 -10.162 -10.258 7.234 1.00 0.00 C ATOM 0 HA PRO A 10 -8.063 -9.678 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.072 -8.111 7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.812 -7.663 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.246 -8.262 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.887 -8.424 6.392 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.819 -10.566 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.177 -10.637 7.116 1.00 0.00 H new ATOM 170 N SER A 11 -6.404 -11.342 6.117 1.00 0.00 N ATOM 171 CA SER A 11 -5.123 -11.824 6.619 1.00 0.00 C ATOM 172 C SER A 11 -4.502 -12.840 5.664 1.00 0.00 C ATOM 173 O SER A 11 -5.166 -13.777 5.219 1.00 0.00 O ATOM 174 CB SER A 11 -5.294 -12.444 8.003 1.00 0.00 C ATOM 175 OG SER A 11 -6.288 -13.453 7.991 1.00 0.00 O ATOM 0 H SER A 11 -6.887 -11.993 5.498 1.00 0.00 H new ATOM 0 HA SER A 11 -4.450 -10.970 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.346 -12.867 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.566 -11.670 8.721 1.00 0.00 H new ATOM 0 HG SER A 11 -6.377 -13.835 8.889 1.00 0.00 H new ATOM 181 N LEU A 12 -3.227 -12.640 5.348 1.00 0.00 N ATOM 182 CA LEU A 12 -2.507 -13.529 4.441 1.00 0.00 C ATOM 183 C LEU A 12 -1.011 -13.243 4.484 1.00 0.00 C ATOM 184 O LEU A 12 -0.593 -12.135 4.822 1.00 0.00 O ATOM 185 CB LEU A 12 -3.027 -13.384 3.004 1.00 0.00 C ATOM 186 CG LEU A 12 -3.184 -11.948 2.473 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.589 -11.433 2.728 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.166 -11.000 3.081 1.00 0.00 C ATOM 0 H LEU A 12 -2.668 -11.867 5.708 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.679 -14.554 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.350 -13.921 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.996 -13.879 2.940 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.004 -11.984 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.679 -10.416 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.310 -12.076 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.789 -11.436 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.315 -9.999 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.291 -10.977 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.160 -11.343 2.839 1.00 0.00 H new ATOM 200 N THR A 13 -0.199 -14.240 4.153 1.00 0.00 N ATOM 201 CA THR A 13 1.247 -14.047 4.172 1.00 0.00 C ATOM 202 C THR A 13 1.820 -13.923 2.762 1.00 0.00 C ATOM 203 O THR A 13 1.835 -14.883 1.992 1.00 0.00 O ATOM 204 CB THR A 13 1.931 -15.201 4.903 1.00 0.00 C ATOM 205 OG1 THR A 13 1.032 -15.830 5.799 1.00 0.00 O ATOM 206 CG2 THR A 13 3.143 -14.763 5.698 1.00 0.00 C ATOM 0 H THR A 13 -0.507 -15.171 3.874 1.00 0.00 H new ATOM 0 HA THR A 13 1.441 -13.114 4.702 1.00 0.00 H new ATOM 0 HB THR A 13 2.255 -15.891 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.488 -16.567 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.585 -15.627 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.876 -14.316 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.842 -14.030 6.446 1.00 0.00 H new ATOM 214 N LEU A 14 2.334 -12.735 2.464 1.00 0.00 N ATOM 215 CA LEU A 14 2.967 -12.439 1.184 1.00 0.00 C ATOM 216 C LEU A 14 4.145 -11.511 1.423 1.00 0.00 C ATOM 217 O LEU A 14 4.211 -10.842 2.454 1.00 0.00 O ATOM 218 CB LEU A 14 2.002 -11.758 0.208 1.00 0.00 C ATOM 219 CG LEU A 14 0.634 -12.419 0.015 1.00 0.00 C ATOM 220 CD1 LEU A 14 -0.118 -11.752 -1.129 1.00 0.00 C ATOM 221 CD2 LEU A 14 0.765 -13.911 -0.243 1.00 0.00 C ATOM 0 H LEU A 14 2.323 -11.944 3.109 1.00 0.00 H new ATOM 0 HA LEU A 14 3.286 -13.383 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.840 -10.735 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.490 -11.697 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 14 0.070 -12.289 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.089 -12.232 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.262 -10.696 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.458 -11.851 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.226 -14.346 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.356 -14.074 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.259 -14.385 0.605 1.00 0.00 H new ATOM 233 N TRP A 15 5.070 -11.453 0.475 1.00 0.00 N ATOM 234 CA TRP A 15 6.223 -10.582 0.619 1.00 0.00 C ATOM 235 C TRP A 15 6.047 -9.305 -0.195 1.00 0.00 C ATOM 236 O TRP A 15 5.362 -9.291 -1.212 1.00 0.00 O ATOM 237 CB TRP A 15 7.521 -11.336 0.274 1.00 0.00 C ATOM 238 CG TRP A 15 7.958 -11.326 -1.167 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.259 -10.924 -2.274 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.233 -11.771 -1.646 1.00 0.00 C ATOM 241 NE1 TRP A 15 8.035 -11.082 -3.396 1.00 0.00 N ATOM 242 CE2 TRP A 15 9.243 -11.601 -3.038 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.369 -12.292 -1.025 1.00 0.00 C ATOM 244 CZ2 TRP A 15 10.342 -11.934 -3.825 1.00 0.00 C ATOM 245 CZ3 TRP A 15 11.458 -12.625 -1.806 1.00 0.00 C ATOM 246 CH2 TRP A 15 11.438 -12.444 -3.192 1.00 0.00 C ATOM 0 H TRP A 15 5.044 -11.992 -0.391 1.00 0.00 H new ATOM 0 HA TRP A 15 6.304 -10.276 1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.327 -10.914 0.875 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.402 -12.374 0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.249 -10.540 -2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.752 -10.848 -4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.396 -12.432 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.328 -11.794 -4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.341 -13.033 -1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.307 -12.713 -3.773 1.00 0.00 H new ATOM 257 N LEU A 16 6.646 -8.228 0.280 1.00 0.00 N ATOM 258 CA LEU A 16 6.542 -6.935 -0.391 1.00 0.00 C ATOM 259 C LEU A 16 7.875 -6.199 -0.355 1.00 0.00 C ATOM 260 O LEU A 16 8.690 -6.432 0.535 1.00 0.00 O ATOM 261 CB LEU A 16 5.450 -6.085 0.260 1.00 0.00 C ATOM 262 CG LEU A 16 5.494 -6.032 1.789 1.00 0.00 C ATOM 263 CD1 LEU A 16 6.339 -4.858 2.258 1.00 0.00 C ATOM 264 CD2 LEU A 16 4.087 -5.941 2.359 1.00 0.00 C ATOM 0 H LEU A 16 7.211 -8.218 1.129 1.00 0.00 H new ATOM 0 HA LEU A 16 6.276 -7.111 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.524 -5.068 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.478 -6.472 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 16 5.953 -6.951 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.359 -4.836 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.355 -4.967 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.910 -3.928 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.137 -5.904 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.602 -5.039 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.513 -6.815 2.052 1.00 0.00 H new ATOM 276 N ASP A 17 8.091 -5.315 -1.330 1.00 0.00 N ATOM 277 CA ASP A 17 9.335 -4.555 -1.409 1.00 0.00 C ATOM 278 C ASP A 17 10.523 -5.487 -1.642 1.00 0.00 C ATOM 279 O ASP A 17 11.138 -5.473 -2.709 1.00 0.00 O ATOM 280 CB ASP A 17 9.550 -3.741 -0.130 1.00 0.00 C ATOM 281 CG ASP A 17 10.202 -2.400 -0.401 1.00 0.00 C ATOM 282 OD1 ASP A 17 9.613 -1.595 -1.152 1.00 0.00 O ATOM 283 OD2 ASP A 17 11.302 -2.156 0.139 1.00 0.00 O ATOM 0 H ASP A 17 7.422 -5.109 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 17 9.260 -3.869 -2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.590 -3.582 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.172 -4.311 0.560 1.00 0.00 H new ATOM 288 N ASP A 18 10.833 -6.301 -0.637 1.00 0.00 N ATOM 289 CA ASP A 18 11.936 -7.250 -0.717 1.00 0.00 C ATOM 290 C ASP A 18 12.041 -8.051 0.577 1.00 0.00 C ATOM 291 O ASP A 18 13.134 -8.292 1.088 1.00 0.00 O ATOM 292 CB ASP A 18 13.251 -6.516 -0.998 1.00 0.00 C ATOM 293 CG ASP A 18 13.891 -6.953 -2.303 1.00 0.00 C ATOM 294 OD1 ASP A 18 14.155 -8.163 -2.457 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.125 -6.083 -3.169 1.00 0.00 O ATOM 0 H ASP A 18 10.330 -6.321 0.250 1.00 0.00 H new ATOM 0 HA ASP A 18 11.742 -7.940 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.065 -5.442 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.946 -6.695 -0.178 1.00 0.00 H new ATOM 300 N LYS A 19 10.888 -8.458 1.106 1.00 0.00 N ATOM 301 CA LYS A 19 10.841 -9.230 2.346 1.00 0.00 C ATOM 302 C LYS A 19 9.435 -9.769 2.595 1.00 0.00 C ATOM 303 O LYS A 19 8.447 -9.147 2.210 1.00 0.00 O ATOM 304 CB LYS A 19 11.286 -8.365 3.527 1.00 0.00 C ATOM 305 CG LYS A 19 10.442 -7.115 3.715 1.00 0.00 C ATOM 306 CD LYS A 19 11.222 -6.015 4.417 1.00 0.00 C ATOM 307 CE LYS A 19 12.448 -5.598 3.618 1.00 0.00 C ATOM 308 NZ LYS A 19 13.709 -6.089 4.237 1.00 0.00 N ATOM 0 H LYS A 19 9.974 -8.266 0.695 1.00 0.00 H new ATOM 0 HA LYS A 19 11.523 -10.074 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.247 -8.961 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.326 -8.073 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.100 -6.757 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.553 -7.359 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.576 -5.151 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.531 -6.360 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.368 -5.985 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.480 -4.511 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.402 -6.300 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.093 -5.358 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.514 -6.952 4.783 1.00 0.00 H new ATOM 322 N MET A 20 9.352 -10.931 3.235 1.00 0.00 N ATOM 323 CA MET A 20 8.063 -11.553 3.525 1.00 0.00 C ATOM 324 C MET A 20 7.330 -10.822 4.645 1.00 0.00 C ATOM 325 O MET A 20 7.949 -10.238 5.533 1.00 0.00 O ATOM 326 CB MET A 20 8.249 -13.023 3.895 1.00 0.00 C ATOM 327 CG MET A 20 8.492 -13.927 2.695 1.00 0.00 C ATOM 328 SD MET A 20 7.121 -15.058 2.381 1.00 0.00 S ATOM 329 CE MET A 20 6.785 -14.717 0.653 1.00 0.00 C ATOM 0 H MET A 20 10.160 -11.461 3.563 1.00 0.00 H new ATOM 0 HA MET A 20 7.455 -11.487 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.090 -13.112 4.583 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.363 -13.370 4.427 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.659 -13.312 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.402 -14.504 2.859 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.328 -15.592 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.105 -13.869 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.718 -14.482 0.140 1.00 0.00 H new ATOM 339 N PHE A 21 6.000 -10.861 4.587 1.00 0.00 N ATOM 340 CA PHE A 21 5.167 -10.204 5.587 1.00 0.00 C ATOM 341 C PHE A 21 3.734 -10.717 5.524 1.00 0.00 C ATOM 342 O PHE A 21 3.418 -11.602 4.734 1.00 0.00 O ATOM 343 CB PHE A 21 5.191 -8.687 5.383 1.00 0.00 C ATOM 344 CG PHE A 21 5.924 -7.946 6.463 1.00 0.00 C ATOM 345 CD1 PHE A 21 5.514 -8.041 7.784 1.00 0.00 C ATOM 346 CD2 PHE A 21 7.021 -7.158 6.159 1.00 0.00 C ATOM 347 CE1 PHE A 21 6.187 -7.361 8.783 1.00 0.00 C ATOM 348 CE2 PHE A 21 7.697 -6.475 7.153 1.00 0.00 C ATOM 349 CZ PHE A 21 7.279 -6.577 8.465 1.00 0.00 C ATOM 0 H PHE A 21 5.477 -11.342 3.855 1.00 0.00 H new ATOM 0 HA PHE A 21 5.572 -10.437 6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.656 -8.466 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.166 -8.319 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.660 -8.652 8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.352 -7.076 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.860 -7.443 9.809 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.551 -5.863 6.904 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.806 -6.044 9.243 1.00 0.00 H new ATOM 359 N THR A 22 2.872 -10.156 6.365 1.00 0.00 N ATOM 360 CA THR A 22 1.472 -10.556 6.404 1.00 0.00 C ATOM 361 C THR A 22 0.561 -9.335 6.379 1.00 0.00 C ATOM 362 O THR A 22 0.557 -8.532 7.311 1.00 0.00 O ATOM 363 CB THR A 22 1.186 -11.393 7.653 1.00 0.00 C ATOM 364 OG1 THR A 22 2.381 -11.962 8.161 1.00 0.00 O ATOM 365 CG2 THR A 22 0.211 -12.522 7.407 1.00 0.00 C ATOM 0 H THR A 22 3.119 -9.422 7.029 1.00 0.00 H new ATOM 0 HA THR A 22 1.270 -11.161 5.520 1.00 0.00 H new ATOM 0 HB THR A 22 0.742 -10.700 8.368 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.177 -12.492 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.053 -13.075 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.739 -12.114 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.615 -13.193 6.649 1.00 0.00 H new ATOM 373 N GLY A 23 -0.208 -9.201 5.306 1.00 0.00 N ATOM 374 CA GLY A 23 -1.114 -8.075 5.180 1.00 0.00 C ATOM 375 C GLY A 23 -2.565 -8.504 5.192 1.00 0.00 C ATOM 376 O GLY A 23 -2.904 -9.554 5.741 1.00 0.00 O ATOM 0 H GLY A 23 -0.221 -9.852 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.937 -7.375 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.902 -7.542 4.253 1.00 0.00 H new ATOM 380 N LEU A 24 -3.425 -7.697 4.579 1.00 0.00 N ATOM 381 CA LEU A 24 -4.844 -8.014 4.520 1.00 0.00 C ATOM 382 C LEU A 24 -5.403 -7.741 3.128 1.00 0.00 C ATOM 383 O LEU A 24 -5.177 -6.679 2.550 1.00 0.00 O ATOM 384 CB LEU A 24 -5.623 -7.228 5.586 1.00 0.00 C ATOM 385 CG LEU A 24 -5.827 -5.729 5.323 1.00 0.00 C ATOM 386 CD1 LEU A 24 -4.524 -5.063 4.908 1.00 0.00 C ATOM 387 CD2 LEU A 24 -6.908 -5.505 4.272 1.00 0.00 C ATOM 0 H LEU A 24 -3.165 -6.824 4.119 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.963 -9.077 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.603 -7.690 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.104 -7.339 6.538 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.157 -5.268 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.699 -4.002 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.787 -5.180 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.152 -5.529 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.035 -4.436 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.615 -5.988 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.849 -5.931 4.621 1.00 0.00 H new ATOM 399 N ILE A 25 -6.133 -8.710 2.591 1.00 0.00 N ATOM 400 CA ILE A 25 -6.722 -8.569 1.265 1.00 0.00 C ATOM 401 C ILE A 25 -8.239 -8.490 1.358 1.00 0.00 C ATOM 402 O ILE A 25 -8.905 -9.475 1.681 1.00 0.00 O ATOM 403 CB ILE A 25 -6.317 -9.737 0.334 1.00 0.00 C ATOM 404 CG1 ILE A 25 -4.796 -9.757 0.158 1.00 0.00 C ATOM 405 CG2 ILE A 25 -7.003 -9.627 -1.023 1.00 0.00 C ATOM 406 CD1 ILE A 25 -4.268 -11.037 -0.456 1.00 0.00 C ATOM 0 H ILE A 25 -6.331 -9.599 3.051 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.338 -7.643 0.837 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.640 -10.670 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.501 -8.916 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.325 -9.610 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.698 -10.462 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.084 -9.651 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.718 -8.689 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.184 -10.976 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.531 -11.882 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.709 -11.176 -1.443 1.00 0.00 H new ATOM 418 N ASN A 26 -8.783 -7.317 1.060 1.00 0.00 N ATOM 419 CA ASN A 26 -10.223 -7.119 1.099 1.00 0.00 C ATOM 420 C ASN A 26 -10.832 -7.450 -0.254 1.00 0.00 C ATOM 421 O ASN A 26 -10.599 -6.751 -1.241 1.00 0.00 O ATOM 422 CB ASN A 26 -10.570 -5.683 1.507 1.00 0.00 C ATOM 423 CG ASN A 26 -9.787 -4.643 0.730 1.00 0.00 C ATOM 424 OD1 ASN A 26 -8.704 -4.917 0.210 1.00 0.00 O ATOM 425 ND2 ASN A 26 -10.334 -3.435 0.649 1.00 0.00 N ATOM 0 H ASN A 26 -8.249 -6.491 0.789 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.642 -7.791 1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.636 -5.515 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.375 -5.556 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.855 -2.691 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.233 -3.251 1.095 1.00 0.00 H new ATOM 432 N THR A 27 -11.603 -8.529 -0.294 1.00 0.00 N ATOM 433 CA THR A 27 -12.243 -8.976 -1.526 1.00 0.00 C ATOM 434 C THR A 27 -13.090 -7.872 -2.168 1.00 0.00 C ATOM 435 O THR A 27 -13.539 -8.012 -3.305 1.00 0.00 O ATOM 436 CB THR A 27 -13.098 -10.211 -1.247 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.614 -10.749 -2.451 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.269 -9.939 -0.325 1.00 0.00 C ATOM 0 H THR A 27 -11.802 -9.114 0.517 1.00 0.00 H new ATOM 0 HA THR A 27 -11.457 -9.231 -2.236 1.00 0.00 H new ATOM 0 HB THR A 27 -12.428 -10.916 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.811 -10.021 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.832 -10.859 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.900 -9.574 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.918 -9.187 -0.774 1.00 0.00 H new ATOM 446 N GLY A 28 -13.294 -6.774 -1.445 1.00 0.00 N ATOM 447 CA GLY A 28 -14.070 -5.668 -1.974 1.00 0.00 C ATOM 448 C GLY A 28 -13.247 -4.399 -2.090 1.00 0.00 C ATOM 449 O GLY A 28 -13.783 -3.292 -2.038 1.00 0.00 O ATOM 0 H GLY A 28 -12.935 -6.631 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.462 -5.937 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.928 -5.485 -1.327 1.00 0.00 H new ATOM 453 N ALA A 29 -11.939 -4.566 -2.256 1.00 0.00 N ATOM 454 CA ALA A 29 -11.026 -3.438 -2.387 1.00 0.00 C ATOM 455 C ALA A 29 -11.286 -2.696 -3.690 1.00 0.00 C ATOM 456 O ALA A 29 -11.130 -3.259 -4.770 1.00 0.00 O ATOM 457 CB ALA A 29 -9.588 -3.930 -2.332 1.00 0.00 C ATOM 0 H ALA A 29 -11.486 -5.479 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.194 -2.747 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.910 -3.083 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.410 -4.428 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.412 -4.632 -3.147 1.00 0.00 H new ATOM 463 N ASP A 30 -11.690 -1.436 -3.581 1.00 0.00 N ATOM 464 CA ASP A 30 -11.984 -0.621 -4.754 1.00 0.00 C ATOM 465 C ASP A 30 -10.773 0.205 -5.171 1.00 0.00 C ATOM 466 O ASP A 30 -10.418 0.249 -6.350 1.00 0.00 O ATOM 467 CB ASP A 30 -13.178 0.295 -4.474 1.00 0.00 C ATOM 468 CG ASP A 30 -12.890 1.310 -3.384 1.00 0.00 C ATOM 469 OD1 ASP A 30 -13.033 0.958 -2.193 1.00 0.00 O ATOM 470 OD2 ASP A 30 -12.520 2.454 -3.721 1.00 0.00 O ATOM 0 H ASP A 30 -11.822 -0.956 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.233 -1.291 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.452 0.819 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.036 -0.311 -4.184 1.00 0.00 H new ATOM 475 N VAL A 31 -10.144 0.860 -4.204 1.00 0.00 N ATOM 476 CA VAL A 31 -8.975 1.682 -4.478 1.00 0.00 C ATOM 477 C VAL A 31 -7.864 1.410 -3.468 1.00 0.00 C ATOM 478 O VAL A 31 -8.029 1.634 -2.272 1.00 0.00 O ATOM 479 CB VAL A 31 -9.329 3.185 -4.466 1.00 0.00 C ATOM 480 CG1 VAL A 31 -9.858 3.607 -3.102 1.00 0.00 C ATOM 481 CG2 VAL A 31 -8.125 4.024 -4.870 1.00 0.00 C ATOM 0 H VAL A 31 -10.424 0.837 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.622 1.415 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.119 3.355 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.100 4.670 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.755 3.034 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.098 3.420 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.396 5.080 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.308 3.849 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.808 3.745 -5.875 1.00 0.00 H new ATOM 491 N THR A 32 -6.740 0.912 -3.964 1.00 0.00 N ATOM 492 CA THR A 32 -5.595 0.591 -3.121 1.00 0.00 C ATOM 493 C THR A 32 -5.039 1.833 -2.427 1.00 0.00 C ATOM 494 O THR A 32 -4.502 2.734 -3.068 1.00 0.00 O ATOM 495 CB THR A 32 -4.498 -0.076 -3.960 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.344 -0.359 -3.182 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.062 0.756 -5.147 1.00 0.00 C ATOM 0 H THR A 32 -6.596 0.720 -4.955 1.00 0.00 H new ATOM 0 HA THR A 32 -5.933 -0.099 -2.348 1.00 0.00 H new ATOM 0 HB THR A 32 -4.950 -0.998 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.665 -0.785 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.284 0.226 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.915 0.930 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.672 1.712 -4.798 1.00 0.00 H new ATOM 505 N ILE A 33 -5.163 1.857 -1.105 1.00 0.00 N ATOM 506 CA ILE A 33 -4.660 2.971 -0.306 1.00 0.00 C ATOM 507 C ILE A 33 -3.698 2.476 0.772 1.00 0.00 C ATOM 508 O ILE A 33 -4.035 1.592 1.558 1.00 0.00 O ATOM 509 CB ILE A 33 -5.795 3.766 0.379 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.057 3.764 -0.479 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.350 5.193 0.657 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.834 4.300 -1.876 1.00 0.00 C ATOM 0 H ILE A 33 -5.608 1.117 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.142 3.632 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.025 3.279 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.441 2.746 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.823 4.362 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.160 5.739 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.479 5.181 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.091 5.683 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.772 4.270 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.479 5.329 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.090 3.688 -2.386 1.00 0.00 H new ATOM 524 N ILE A 34 -2.514 3.072 0.815 1.00 0.00 N ATOM 525 CA ILE A 34 -1.509 2.721 1.806 1.00 0.00 C ATOM 526 C ILE A 34 -1.071 3.984 2.539 1.00 0.00 C ATOM 527 O ILE A 34 -0.532 4.907 1.941 1.00 0.00 O ATOM 528 CB ILE A 34 -0.293 1.992 1.173 1.00 0.00 C ATOM 529 CG1 ILE A 34 0.005 0.706 1.945 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.943 2.881 1.136 1.00 0.00 C ATOM 531 CD1 ILE A 34 -1.142 -0.279 1.945 1.00 0.00 C ATOM 0 H ILE A 34 -2.226 3.807 0.169 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.951 2.021 2.515 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.552 1.746 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.884 0.228 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.255 0.960 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.771 2.334 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.733 3.772 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.211 3.174 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.859 -1.167 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.017 0.181 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.378 -0.563 0.919 1.00 0.00 H new ATOM 543 N LYS A 35 -1.334 4.019 3.831 1.00 0.00 N ATOM 544 CA LYS A 35 -1.006 5.174 4.657 1.00 0.00 C ATOM 545 C LYS A 35 0.416 5.658 4.434 1.00 0.00 C ATOM 546 O LYS A 35 1.253 4.944 3.885 1.00 0.00 O ATOM 547 CB LYS A 35 -1.207 4.836 6.134 1.00 0.00 C ATOM 548 CG LYS A 35 -0.652 3.475 6.522 1.00 0.00 C ATOM 549 CD LYS A 35 -1.760 2.446 6.688 1.00 0.00 C ATOM 550 CE LYS A 35 -1.273 1.205 7.426 1.00 0.00 C ATOM 551 NZ LYS A 35 -0.289 1.531 8.497 1.00 0.00 N ATOM 0 H LYS A 35 -1.778 3.254 4.339 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.679 5.980 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.728 5.603 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.272 4.865 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.049 3.136 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.092 3.562 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.591 2.892 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.141 2.160 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.126 0.688 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.816 0.518 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.304 0.785 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.664 1.595 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.539 2.441 8.933 1.00 0.00 H new ATOM 565 N LEU A 36 0.675 6.884 4.873 1.00 0.00 N ATOM 566 CA LEU A 36 1.992 7.479 4.732 1.00 0.00 C ATOM 567 C LEU A 36 2.985 6.823 5.682 1.00 0.00 C ATOM 568 O LEU A 36 4.176 6.750 5.398 1.00 0.00 O ATOM 569 CB LEU A 36 1.927 8.983 4.989 1.00 0.00 C ATOM 570 CG LEU A 36 2.521 9.841 3.872 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.488 10.813 3.323 1.00 0.00 C ATOM 572 CD2 LEU A 36 3.754 10.585 4.364 1.00 0.00 C ATOM 0 H LEU A 36 -0.012 7.483 5.330 1.00 0.00 H new ATOM 0 HA LEU A 36 2.334 7.313 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.886 9.269 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.452 9.203 5.918 1.00 0.00 H new ATOM 0 HG LEU A 36 2.822 9.178 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.937 11.411 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.641 10.256 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.145 11.470 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.161 11.190 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.480 11.232 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.505 9.867 4.694 1.00 0.00 H new ATOM 584 N GLU A 37 2.485 6.340 6.813 1.00 0.00 N ATOM 585 CA GLU A 37 3.332 5.684 7.800 1.00 0.00 C ATOM 586 C GLU A 37 4.079 4.502 7.181 1.00 0.00 C ATOM 587 O GLU A 37 5.117 4.078 7.691 1.00 0.00 O ATOM 588 CB GLU A 37 2.493 5.207 8.989 1.00 0.00 C ATOM 589 CG GLU A 37 1.833 6.338 9.759 1.00 0.00 C ATOM 590 CD GLU A 37 0.325 6.198 9.826 1.00 0.00 C ATOM 591 OE1 GLU A 37 -0.339 6.411 8.791 1.00 0.00 O ATOM 592 OE2 GLU A 37 -0.194 5.874 10.916 1.00 0.00 O ATOM 0 H GLU A 37 1.499 6.390 7.069 1.00 0.00 H new ATOM 0 HA GLU A 37 4.066 6.410 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.722 4.525 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.129 4.639 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.236 6.367 10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.085 7.288 9.288 1.00 0.00 H new ATOM 599 N ASP A 38 3.546 3.976 6.080 1.00 0.00 N ATOM 600 CA ASP A 38 4.164 2.846 5.395 1.00 0.00 C ATOM 601 C ASP A 38 4.763 3.274 4.055 1.00 0.00 C ATOM 602 O ASP A 38 4.928 2.457 3.150 1.00 0.00 O ATOM 603 CB ASP A 38 3.137 1.731 5.180 1.00 0.00 C ATOM 604 CG ASP A 38 3.552 0.427 5.831 1.00 0.00 C ATOM 605 OD1 ASP A 38 3.998 0.460 6.997 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.429 -0.630 5.176 1.00 0.00 O ATOM 0 H ASP A 38 2.688 4.315 5.645 1.00 0.00 H new ATOM 0 HA ASP A 38 4.971 2.471 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.175 2.045 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.997 1.571 4.111 1.00 0.00 H new ATOM 611 N TRP A 39 5.085 4.559 3.936 1.00 0.00 N ATOM 612 CA TRP A 39 5.666 5.095 2.710 1.00 0.00 C ATOM 613 C TRP A 39 7.155 5.378 2.902 1.00 0.00 C ATOM 614 O TRP A 39 7.598 5.686 4.010 1.00 0.00 O ATOM 615 CB TRP A 39 4.921 6.374 2.284 1.00 0.00 C ATOM 616 CG TRP A 39 5.818 7.532 1.946 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.276 7.879 0.706 1.00 0.00 C ATOM 618 CD2 TRP A 39 6.364 8.494 2.859 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.077 8.991 0.794 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.142 9.391 2.104 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.269 8.686 4.241 1.00 0.00 C ATOM 622 CZ2 TRP A 39 7.821 10.461 2.687 1.00 0.00 C ATOM 623 CZ3 TRP A 39 6.942 9.746 4.816 1.00 0.00 C ATOM 624 CH2 TRP A 39 7.707 10.623 4.040 1.00 0.00 C ATOM 0 H TRP A 39 4.953 5.249 4.675 1.00 0.00 H new ATOM 0 HA TRP A 39 5.560 4.352 1.920 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.300 6.146 1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.249 6.673 3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.042 7.355 -0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.547 9.446 0.012 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.679 8.016 4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.416 11.137 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.877 9.900 5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.218 11.445 4.519 1.00 0.00 H new ATOM 635 N PRO A 40 7.950 5.283 1.824 1.00 0.00 N ATOM 636 CA PRO A 40 9.394 5.539 1.883 1.00 0.00 C ATOM 637 C PRO A 40 9.702 6.987 2.260 1.00 0.00 C ATOM 638 O PRO A 40 9.470 7.902 1.472 1.00 0.00 O ATOM 639 CB PRO A 40 9.875 5.240 0.460 1.00 0.00 C ATOM 640 CG PRO A 40 8.661 5.368 -0.393 1.00 0.00 C ATOM 641 CD PRO A 40 7.508 4.929 0.464 1.00 0.00 C ATOM 0 HA PRO A 40 9.886 4.931 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.650 5.941 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.303 4.240 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.528 6.396 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.743 4.747 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.586 5.443 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.318 3.860 0.367 1.00 0.00 H new ATOM 649 N PRO A 41 10.230 7.217 3.478 1.00 0.00 N ATOM 650 CA PRO A 41 10.565 8.567 3.953 1.00 0.00 C ATOM 651 C PRO A 41 11.594 9.266 3.069 1.00 0.00 C ATOM 652 O PRO A 41 11.779 10.480 3.157 1.00 0.00 O ATOM 653 CB PRO A 41 11.144 8.327 5.353 1.00 0.00 C ATOM 654 CG PRO A 41 10.644 6.982 5.755 1.00 0.00 C ATOM 655 CD PRO A 41 10.538 6.189 4.486 1.00 0.00 C ATOM 0 HA PRO A 41 9.693 9.220 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.234 8.354 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.815 9.095 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.327 6.505 6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.676 7.057 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.467 5.666 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.754 5.435 4.546 1.00 0.00 H new ATOM 663 N ASN A 42 12.270 8.492 2.224 1.00 0.00 N ATOM 664 CA ASN A 42 13.287 9.033 1.328 1.00 0.00 C ATOM 665 C ASN A 42 12.796 10.282 0.596 1.00 0.00 C ATOM 666 O ASN A 42 13.559 11.226 0.388 1.00 0.00 O ATOM 667 CB ASN A 42 13.704 7.968 0.311 1.00 0.00 C ATOM 668 CG ASN A 42 15.139 8.141 -0.152 1.00 0.00 C ATOM 669 OD1 ASN A 42 15.495 9.162 -0.741 1.00 0.00 O ATOM 670 ND2 ASN A 42 15.970 7.139 0.110 1.00 0.00 N ATOM 0 H ASN A 42 12.131 7.485 2.141 1.00 0.00 H new ATOM 0 HA ASN A 42 14.144 9.320 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.585 6.979 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.039 8.013 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.946 7.197 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.632 6.311 0.601 1.00 0.00 H new ATOM 677 N TRP A 43 11.529 10.280 0.192 1.00 0.00 N ATOM 678 CA TRP A 43 10.962 11.416 -0.532 1.00 0.00 C ATOM 679 C TRP A 43 9.522 11.703 -0.095 1.00 0.00 C ATOM 680 O TRP A 43 8.718 10.782 0.038 1.00 0.00 O ATOM 681 CB TRP A 43 10.991 11.134 -2.038 1.00 0.00 C ATOM 682 CG TRP A 43 10.004 10.084 -2.459 1.00 0.00 C ATOM 683 CD1 TRP A 43 8.655 10.239 -2.599 1.00 0.00 C ATOM 684 CD2 TRP A 43 10.285 8.718 -2.786 1.00 0.00 C ATOM 685 NE1 TRP A 43 8.080 9.055 -2.986 1.00 0.00 N ATOM 686 CE2 TRP A 43 9.057 8.108 -3.112 1.00 0.00 C ATOM 687 CE3 TRP A 43 11.450 7.949 -2.838 1.00 0.00 C ATOM 688 CZ2 TRP A 43 8.963 6.771 -3.482 1.00 0.00 C ATOM 689 CZ3 TRP A 43 11.355 6.620 -3.207 1.00 0.00 C ATOM 690 CH2 TRP A 43 10.118 6.044 -3.525 1.00 0.00 C ATOM 0 H TRP A 43 10.878 9.511 0.352 1.00 0.00 H new ATOM 0 HA TRP A 43 11.566 12.294 -0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 43 10.783 12.057 -2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.994 10.817 -2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.118 11.161 -2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.085 8.906 -3.153 1.00 0.00 H new ATOM 0 HE3 TRP A 43 12.408 8.385 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.011 6.324 -3.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.249 6.016 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.077 5.003 -3.810 1.00 0.00 H new ATOM 701 N PRO A 44 9.165 12.988 0.101 1.00 0.00 N ATOM 702 CA PRO A 44 7.803 13.373 0.489 1.00 0.00 C ATOM 703 C PRO A 44 6.823 13.084 -0.640 1.00 0.00 C ATOM 704 O PRO A 44 7.209 13.085 -1.809 1.00 0.00 O ATOM 705 CB PRO A 44 7.910 14.878 0.745 1.00 0.00 C ATOM 706 CG PRO A 44 9.083 15.318 -0.061 1.00 0.00 C ATOM 707 CD PRO A 44 10.044 14.160 -0.067 1.00 0.00 C ATOM 0 HA PRO A 44 7.437 12.824 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.002 15.397 0.438 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.056 15.090 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.782 15.580 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.544 16.205 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.607 14.110 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.771 14.237 0.741 1.00 0.00 H new ATOM 715 N ILE A 45 5.567 12.795 -0.306 1.00 0.00 N ATOM 716 CA ILE A 45 4.594 12.463 -1.337 1.00 0.00 C ATOM 717 C ILE A 45 3.238 13.151 -1.191 1.00 0.00 C ATOM 718 O ILE A 45 2.598 13.125 -0.144 1.00 0.00 O ATOM 719 CB ILE A 45 4.309 10.979 -1.365 1.00 0.00 C ATOM 720 CG1 ILE A 45 4.552 10.351 0.009 1.00 0.00 C ATOM 721 CG2 ILE A 45 5.135 10.268 -2.417 1.00 0.00 C ATOM 722 CD1 ILE A 45 3.679 10.896 1.114 1.00 0.00 C ATOM 0 H ILE A 45 5.207 12.784 0.648 1.00 0.00 H new ATOM 0 HA ILE A 45 5.069 12.817 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 45 3.258 10.859 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.392 9.275 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.597 10.500 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.901 9.203 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.905 10.679 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.195 10.409 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.921 10.393 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.854 11.967 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.631 10.722 0.869 1.00 0.00 H new ATOM 734 N THR A 46 2.802 13.703 -2.302 1.00 0.00 N ATOM 735 CA THR A 46 1.520 14.340 -2.440 1.00 0.00 C ATOM 736 C THR A 46 0.981 14.028 -3.829 1.00 0.00 C ATOM 737 O THR A 46 1.673 13.423 -4.648 1.00 0.00 O ATOM 738 CB THR A 46 1.660 15.845 -2.247 1.00 0.00 C ATOM 739 OG1 THR A 46 0.591 16.361 -1.472 1.00 0.00 O ATOM 740 CG2 THR A 46 1.700 16.609 -3.552 1.00 0.00 C ATOM 0 H THR A 46 3.352 13.719 -3.161 1.00 0.00 H new ATOM 0 HA THR A 46 0.830 13.967 -1.683 1.00 0.00 H new ATOM 0 HB THR A 46 2.611 15.983 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.145 15.714 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.801 17.675 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.550 16.272 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.778 16.432 -4.106 1.00 0.00 H new ATOM 748 N ASP A 47 -0.193 14.538 -4.129 1.00 0.00 N ATOM 749 CA ASP A 47 -0.740 14.409 -5.476 1.00 0.00 C ATOM 750 C ASP A 47 -1.621 15.621 -5.782 1.00 0.00 C ATOM 751 O ASP A 47 -1.619 16.593 -5.022 1.00 0.00 O ATOM 752 CB ASP A 47 -1.478 13.084 -5.674 1.00 0.00 C ATOM 753 CG ASP A 47 -0.798 12.193 -6.694 1.00 0.00 C ATOM 754 OD1 ASP A 47 -1.115 12.316 -7.896 1.00 0.00 O ATOM 755 OD2 ASP A 47 0.055 11.374 -6.291 1.00 0.00 O ATOM 0 H ASP A 47 -0.788 15.042 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 47 0.083 14.391 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.540 12.559 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.500 13.285 -5.994 1.00 0.00 H new ATOM 760 N THR A 48 -2.362 15.586 -6.883 1.00 0.00 N ATOM 761 CA THR A 48 -3.216 16.718 -7.248 1.00 0.00 C ATOM 762 C THR A 48 -4.657 16.517 -6.777 1.00 0.00 C ATOM 763 O THR A 48 -5.361 15.637 -7.272 1.00 0.00 O ATOM 764 CB THR A 48 -3.190 16.936 -8.761 1.00 0.00 C ATOM 765 OG1 THR A 48 -3.411 15.716 -9.448 1.00 0.00 O ATOM 766 CG2 THR A 48 -1.885 17.515 -9.259 1.00 0.00 C ATOM 0 H THR A 48 -2.392 14.800 -7.533 1.00 0.00 H new ATOM 0 HA THR A 48 -2.820 17.601 -6.747 1.00 0.00 H new ATOM 0 HB THR A 48 -3.987 17.652 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.140 15.224 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.933 17.645 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.711 18.481 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.068 16.837 -9.011 1.00 0.00 H new ATOM 774 N LEU A 49 -5.092 17.340 -5.819 1.00 0.00 N ATOM 775 CA LEU A 49 -6.455 17.247 -5.296 1.00 0.00 C ATOM 776 C LEU A 49 -7.204 18.570 -5.480 1.00 0.00 C ATOM 777 O LEU A 49 -6.620 19.569 -5.901 1.00 0.00 O ATOM 778 CB LEU A 49 -6.428 16.852 -3.816 1.00 0.00 C ATOM 779 CG LEU A 49 -7.730 16.258 -3.265 1.00 0.00 C ATOM 780 CD1 LEU A 49 -8.329 15.255 -4.242 1.00 0.00 C ATOM 781 CD2 LEU A 49 -7.483 15.600 -1.917 1.00 0.00 C ATOM 0 H LEU A 49 -4.524 18.073 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.984 16.477 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.627 16.128 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.174 17.734 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.444 17.071 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.251 14.849 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.545 15.752 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.620 14.445 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.417 15.183 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.749 14.802 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.106 16.342 -1.213 1.00 0.00 H new ATOM 793 N THR A 50 -8.502 18.564 -5.178 1.00 0.00 N ATOM 794 CA THR A 50 -9.334 19.760 -5.327 1.00 0.00 C ATOM 795 C THR A 50 -9.819 20.292 -3.977 1.00 0.00 C ATOM 796 O THR A 50 -10.451 19.569 -3.207 1.00 0.00 O ATOM 797 CB THR A 50 -10.535 19.458 -6.226 1.00 0.00 C ATOM 798 OG1 THR A 50 -10.894 18.090 -6.142 1.00 0.00 O ATOM 799 CG2 THR A 50 -10.283 19.777 -7.685 1.00 0.00 C ATOM 0 H THR A 50 -9.001 17.746 -4.829 1.00 0.00 H new ATOM 0 HA THR A 50 -8.716 20.531 -5.786 1.00 0.00 H new ATOM 0 HB THR A 50 -11.338 20.099 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.665 17.918 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.173 19.540 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.051 20.837 -7.791 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.443 19.184 -8.047 1.00 0.00 H new ATOM 807 N ASN A 51 -9.537 21.564 -3.708 1.00 0.00 N ATOM 808 CA ASN A 51 -9.959 22.205 -2.466 1.00 0.00 C ATOM 809 C ASN A 51 -10.626 23.531 -2.768 1.00 0.00 C ATOM 810 O ASN A 51 -9.997 24.584 -2.670 1.00 0.00 O ATOM 811 CB ASN A 51 -8.761 22.449 -1.557 1.00 0.00 C ATOM 812 CG ASN A 51 -9.150 22.549 -0.095 1.00 0.00 C ATOM 813 OD1 ASN A 51 -9.906 21.568 0.387 1.00 0.00 O flip ATOM 814 ND2 ASN A 51 -8.777 23.498 0.595 1.00 0.00 N flip ATOM 0 H ASN A 51 -9.015 22.174 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.664 21.543 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.043 21.639 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.261 23.369 -1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.197 24.230 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.048 23.552 1.577 1.00 0.00 H new ATOM 821 N LEU A 52 -11.891 23.493 -3.141 1.00 0.00 N ATOM 822 CA LEU A 52 -12.594 24.718 -3.468 1.00 0.00 C ATOM 823 C LEU A 52 -13.427 25.230 -2.305 1.00 0.00 C ATOM 824 O LEU A 52 -14.364 24.579 -1.844 1.00 0.00 O ATOM 825 CB LEU A 52 -13.453 24.516 -4.712 1.00 0.00 C ATOM 826 CG LEU A 52 -12.739 24.775 -6.047 1.00 0.00 C ATOM 827 CD1 LEU A 52 -11.225 24.736 -5.887 1.00 0.00 C ATOM 828 CD2 LEU A 52 -13.175 23.756 -7.080 1.00 0.00 C ATOM 0 H LEU A 52 -12.446 22.641 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.846 25.483 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.830 23.493 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.319 25.175 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.017 25.774 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.752 24.923 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.914 25.501 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.923 23.755 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.662 23.950 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.925 22.754 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.252 23.829 -7.232 1.00 0.00 H new ATOM 840 N ARG A 53 -13.059 26.420 -1.854 1.00 0.00 N ATOM 841 CA ARG A 53 -13.729 27.090 -0.753 1.00 0.00 C ATOM 842 C ARG A 53 -14.922 27.905 -1.241 1.00 0.00 C ATOM 843 O ARG A 53 -15.422 28.761 -0.520 1.00 0.00 O ATOM 844 CB ARG A 53 -12.751 27.981 0.005 1.00 0.00 C ATOM 845 CG ARG A 53 -11.704 27.209 0.790 1.00 0.00 C ATOM 846 CD ARG A 53 -12.313 26.512 1.996 1.00 0.00 C ATOM 847 NE ARG A 53 -11.486 25.400 2.457 1.00 0.00 N ATOM 848 CZ ARG A 53 -10.366 25.548 3.158 1.00 0.00 C ATOM 849 NH1 ARG A 53 -9.934 26.761 3.485 1.00 0.00 N ATOM 850 NH2 ARG A 53 -9.671 24.484 3.534 1.00 0.00 N ATOM 0 H ARG A 53 -12.281 26.951 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.103 26.323 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.249 28.639 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.310 28.618 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.233 26.471 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.920 27.890 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.439 27.231 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.306 26.144 1.739 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.786 24.453 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.462 27.585 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.074 26.868 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.995 23.549 3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.812 24.600 4.072 1.00 0.00 H new ATOM 864 N GLY A 54 -15.328 27.694 -2.491 1.00 0.00 N ATOM 865 CA GLY A 54 -16.435 28.459 -3.049 1.00 0.00 C ATOM 866 C GLY A 54 -16.009 29.867 -3.359 1.00 0.00 C ATOM 867 O GLY A 54 -16.008 30.299 -4.512 1.00 0.00 O ATOM 0 H GLY A 54 -14.914 27.011 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.796 27.975 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -17.266 28.473 -2.343 1.00 0.00 H new ATOM 871 N ILE A 55 -15.588 30.557 -2.319 1.00 0.00 N ATOM 872 CA ILE A 55 -15.081 31.906 -2.443 1.00 0.00 C ATOM 873 C ILE A 55 -13.565 31.844 -2.423 1.00 0.00 C ATOM 874 O ILE A 55 -12.879 32.794 -2.798 1.00 0.00 O ATOM 875 CB ILE A 55 -15.588 32.839 -1.322 1.00 0.00 C ATOM 876 CG1 ILE A 55 -15.707 32.085 0.009 1.00 0.00 C ATOM 877 CG2 ILE A 55 -16.927 33.450 -1.716 1.00 0.00 C ATOM 878 CD1 ILE A 55 -16.418 32.863 1.090 1.00 0.00 C ATOM 0 H ILE A 55 -15.588 30.197 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.445 32.326 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.863 33.641 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -16.239 31.149 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.708 31.825 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -17.276 34.106 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -16.808 34.026 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.656 32.656 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.463 32.264 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -15.876 33.787 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.430 33.100 0.762 1.00 0.00 H new ATOM 890 N GLY A 56 -13.051 30.688 -1.996 1.00 0.00 N ATOM 891 CA GLY A 56 -11.617 30.482 -1.951 1.00 0.00 C ATOM 892 C GLY A 56 -11.181 29.295 -2.797 1.00 0.00 C ATOM 893 O GLY A 56 -10.514 28.385 -2.304 1.00 0.00 O ATOM 0 H GLY A 56 -13.607 29.893 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.111 31.382 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.306 30.324 -0.918 1.00 0.00 H new ATOM 897 N GLN A 57 -11.572 29.303 -4.072 1.00 0.00 N ATOM 898 CA GLN A 57 -11.231 28.225 -5.003 1.00 0.00 C ATOM 899 C GLN A 57 -9.742 27.870 -4.929 1.00 0.00 C ATOM 900 O GLN A 57 -8.921 28.442 -5.646 1.00 0.00 O ATOM 901 CB GLN A 57 -11.605 28.643 -6.431 1.00 0.00 C ATOM 902 CG GLN A 57 -11.021 27.750 -7.516 1.00 0.00 C ATOM 903 CD GLN A 57 -11.994 27.501 -8.651 1.00 0.00 C ATOM 904 OE1 GLN A 57 -12.489 26.387 -8.827 1.00 0.00 O ATOM 905 NE2 GLN A 57 -12.275 28.541 -9.427 1.00 0.00 N ATOM 0 H GLN A 57 -12.129 30.050 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.797 27.337 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.691 28.646 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.268 29.666 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.116 28.210 -7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.728 26.796 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.841 29.446 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.925 28.435 -10.206 1.00 0.00 H new ATOM 914 N SER A 58 -9.411 26.922 -4.058 1.00 0.00 N ATOM 915 CA SER A 58 -8.028 26.481 -3.882 1.00 0.00 C ATOM 916 C SER A 58 -7.853 25.022 -4.304 1.00 0.00 C ATOM 917 O SER A 58 -8.815 24.350 -4.675 1.00 0.00 O ATOM 918 CB SER A 58 -7.601 26.655 -2.423 1.00 0.00 C ATOM 919 OG SER A 58 -6.225 26.979 -2.329 1.00 0.00 O ATOM 0 H SER A 58 -10.083 26.442 -3.460 1.00 0.00 H new ATOM 0 HA SER A 58 -7.396 27.098 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.195 27.442 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.800 25.737 -1.871 1.00 0.00 H new ATOM 0 HG SER A 58 -5.978 27.087 -1.387 1.00 0.00 H new ATOM 925 N ASN A 59 -6.616 24.537 -4.239 1.00 0.00 N ATOM 926 CA ASN A 59 -6.314 23.153 -4.601 1.00 0.00 C ATOM 927 C ASN A 59 -5.957 22.350 -3.352 1.00 0.00 C ATOM 928 O ASN A 59 -5.276 22.852 -2.459 1.00 0.00 O ATOM 929 CB ASN A 59 -5.161 23.104 -5.606 1.00 0.00 C ATOM 930 CG ASN A 59 -5.384 24.030 -6.785 1.00 0.00 C ATOM 931 OD1 ASN A 59 -5.606 25.229 -6.615 1.00 0.00 O ATOM 932 ND2 ASN A 59 -5.328 23.477 -7.991 1.00 0.00 N ATOM 0 H ASN A 59 -5.806 25.080 -3.939 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.197 22.713 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.233 23.376 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.040 22.083 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.472 24.050 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.141 22.479 -8.086 1.00 0.00 H new ATOM 939 N ASN A 60 -6.427 21.106 -3.284 1.00 0.00 N ATOM 940 CA ASN A 60 -6.154 20.259 -2.125 1.00 0.00 C ATOM 941 C ASN A 60 -4.880 19.438 -2.311 1.00 0.00 C ATOM 942 O ASN A 60 -4.400 19.242 -3.432 1.00 0.00 O ATOM 943 CB ASN A 60 -7.338 19.325 -1.834 1.00 0.00 C ATOM 944 CG ASN A 60 -7.953 19.567 -0.468 1.00 0.00 C ATOM 945 OD1 ASN A 60 -7.487 20.412 0.297 1.00 0.00 O ATOM 946 ND2 ASN A 60 -9.007 18.822 -0.155 1.00 0.00 N ATOM 0 H ASN A 60 -6.993 20.666 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.009 20.924 -1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.101 19.462 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.003 18.290 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.463 18.939 0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.360 18.133 -0.819 1.00 0.00 H new ATOM 953 N PRO A 61 -4.333 18.939 -1.192 1.00 0.00 N ATOM 954 CA PRO A 61 -3.125 18.124 -1.167 1.00 0.00 C ATOM 955 C PRO A 61 -3.441 16.637 -1.224 1.00 0.00 C ATOM 956 O PRO A 61 -3.788 16.032 -0.209 1.00 0.00 O ATOM 957 CB PRO A 61 -2.545 18.485 0.193 1.00 0.00 C ATOM 958 CG PRO A 61 -3.748 18.657 1.066 1.00 0.00 C ATOM 959 CD PRO A 61 -4.873 19.122 0.164 1.00 0.00 C ATOM 0 HA PRO A 61 -2.463 18.307 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.889 17.700 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.953 19.399 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.008 17.719 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.555 19.386 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.778 18.534 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.134 20.163 0.354 1.00 0.00 H new ATOM 967 N LYS A 62 -3.337 16.052 -2.408 1.00 0.00 N ATOM 968 CA LYS A 62 -3.631 14.646 -2.580 1.00 0.00 C ATOM 969 C LYS A 62 -2.698 13.753 -1.825 1.00 0.00 C ATOM 970 O LYS A 62 -1.635 14.165 -1.356 1.00 0.00 O ATOM 971 CB LYS A 62 -3.510 14.250 -4.023 1.00 0.00 C ATOM 972 CG LYS A 62 -4.848 14.043 -4.702 1.00 0.00 C ATOM 973 CD LYS A 62 -4.755 13.105 -5.892 1.00 0.00 C ATOM 974 CE LYS A 62 -6.125 12.594 -6.307 1.00 0.00 C ATOM 975 NZ LYS A 62 -6.185 12.290 -7.764 1.00 0.00 N ATOM 0 H LYS A 62 -3.051 16.533 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.646 14.522 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.954 15.020 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.929 13.330 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.560 13.641 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.238 15.006 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.290 13.624 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.111 12.262 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.365 11.696 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.881 13.339 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.135 11.944 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.981 13.153 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.481 11.560 -7.996 1.00 0.00 H new ATOM 989 N GLN A 63 -3.103 12.498 -1.798 1.00 0.00 N ATOM 990 CA GLN A 63 -2.345 11.451 -1.178 1.00 0.00 C ATOM 991 C GLN A 63 -1.397 10.831 -2.187 1.00 0.00 C ATOM 992 O GLN A 63 -1.780 10.509 -3.309 1.00 0.00 O ATOM 993 CB GLN A 63 -3.275 10.375 -0.607 1.00 0.00 C ATOM 994 CG GLN A 63 -4.722 10.822 -0.442 1.00 0.00 C ATOM 995 CD GLN A 63 -5.568 10.531 -1.667 1.00 0.00 C ATOM 996 OE1 GLN A 63 -5.153 10.787 -2.797 1.00 0.00 O ATOM 997 NE2 GLN A 63 -6.762 9.994 -1.447 1.00 0.00 N ATOM 0 H GLN A 63 -3.979 12.182 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.768 11.881 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.248 9.504 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.892 10.057 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.157 10.320 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.746 11.892 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.065 9.798 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.376 9.777 -2.232 1.00 0.00 H new ATOM 1006 N SER A 64 -0.165 10.693 -1.758 1.00 0.00 N ATOM 1007 CA SER A 64 0.923 10.120 -2.550 1.00 0.00 C ATOM 1008 C SER A 64 0.470 9.128 -3.614 1.00 0.00 C ATOM 1009 O SER A 64 -0.635 8.588 -3.574 1.00 0.00 O ATOM 1010 CB SER A 64 1.857 9.357 -1.630 1.00 0.00 C ATOM 1011 OG SER A 64 1.885 9.935 -0.340 1.00 0.00 O ATOM 0 H SER A 64 0.127 10.981 -0.824 1.00 0.00 H new ATOM 0 HA SER A 64 1.395 10.966 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.535 8.318 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.862 9.351 -2.051 1.00 0.00 H new ATOM 0 HG SER A 64 1.051 9.725 0.131 1.00 0.00 H new ATOM 1017 N SER A 65 1.384 8.862 -4.534 1.00 0.00 N ATOM 1018 CA SER A 65 1.157 7.903 -5.607 1.00 0.00 C ATOM 1019 C SER A 65 2.104 6.703 -5.473 1.00 0.00 C ATOM 1020 O SER A 65 1.860 5.649 -6.059 1.00 0.00 O ATOM 1021 CB SER A 65 1.341 8.569 -6.971 1.00 0.00 C ATOM 1022 OG SER A 65 0.310 8.191 -7.868 1.00 0.00 O ATOM 0 H SER A 65 2.303 9.303 -4.559 1.00 0.00 H new ATOM 0 HA SER A 65 0.131 7.545 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.345 9.653 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.309 8.291 -7.387 1.00 0.00 H new ATOM 0 HG SER A 65 0.450 8.632 -8.732 1.00 0.00 H new ATOM 1028 N LYS A 66 3.196 6.886 -4.707 1.00 0.00 N ATOM 1029 CA LYS A 66 4.212 5.840 -4.486 1.00 0.00 C ATOM 1030 C LYS A 66 3.660 4.439 -4.729 1.00 0.00 C ATOM 1031 O LYS A 66 2.693 4.026 -4.094 1.00 0.00 O ATOM 1032 CB LYS A 66 4.762 5.943 -3.060 1.00 0.00 C ATOM 1033 CG LYS A 66 5.707 4.810 -2.683 1.00 0.00 C ATOM 1034 CD LYS A 66 5.080 3.875 -1.659 1.00 0.00 C ATOM 1035 CE LYS A 66 5.622 2.459 -1.786 1.00 0.00 C ATOM 1036 NZ LYS A 66 6.171 1.957 -0.496 1.00 0.00 N ATOM 0 H LYS A 66 3.398 7.762 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 66 5.013 6.005 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.286 6.892 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.928 5.956 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.974 4.246 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.631 5.225 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.275 4.251 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.998 3.864 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.827 1.795 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.403 2.436 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.909 0.958 -0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.207 2.045 -0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.780 2.517 0.289 1.00 0.00 H new ATOM 1050 N TYR A 67 4.279 3.714 -5.656 1.00 0.00 N ATOM 1051 CA TYR A 67 3.842 2.366 -5.986 1.00 0.00 C ATOM 1052 C TYR A 67 4.100 1.389 -4.848 1.00 0.00 C ATOM 1053 O TYR A 67 5.186 1.355 -4.271 1.00 0.00 O ATOM 1054 CB TYR A 67 4.536 1.864 -7.254 1.00 0.00 C ATOM 1055 CG TYR A 67 4.124 2.593 -8.512 1.00 0.00 C ATOM 1056 CD1 TYR A 67 4.577 3.880 -8.776 1.00 0.00 C ATOM 1057 CD2 TYR A 67 3.284 1.990 -9.437 1.00 0.00 C ATOM 1058 CE1 TYR A 67 4.202 4.544 -9.929 1.00 0.00 C ATOM 1059 CE2 TYR A 67 2.906 2.647 -10.592 1.00 0.00 C ATOM 1060 CZ TYR A 67 3.367 3.923 -10.833 1.00 0.00 C ATOM 1061 OH TYR A 67 2.992 4.580 -11.982 1.00 0.00 O ATOM 0 H TYR A 67 5.084 4.039 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 67 2.767 2.417 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.614 1.960 -7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.323 0.802 -7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.232 4.369 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.920 0.990 -9.251 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.561 5.544 -10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.252 2.163 -11.303 1.00 0.00 H new ATOM 0 HH TYR A 67 2.610 3.938 -12.616 1.00 0.00 H new ATOM 1071 N LEU A 68 3.093 0.577 -4.559 1.00 0.00 N ATOM 1072 CA LEU A 68 3.184 -0.436 -3.522 1.00 0.00 C ATOM 1073 C LEU A 68 3.395 -1.796 -4.168 1.00 0.00 C ATOM 1074 O LEU A 68 2.712 -2.147 -5.136 1.00 0.00 O ATOM 1075 CB LEU A 68 1.917 -0.445 -2.666 1.00 0.00 C ATOM 1076 CG LEU A 68 2.064 -1.102 -1.294 1.00 0.00 C ATOM 1077 CD1 LEU A 68 3.118 -0.383 -0.465 1.00 0.00 C ATOM 1078 CD2 LEU A 68 0.728 -1.114 -0.568 1.00 0.00 C ATOM 0 H LEU A 68 2.192 0.603 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 68 4.029 -0.208 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.586 0.584 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.130 -0.961 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 68 2.389 -2.132 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.207 -0.866 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.077 -0.425 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.825 0.658 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.848 -1.585 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.376 -0.091 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.000 -1.675 -1.154 1.00 0.00 H new ATOM 1090 N THR A 69 4.356 -2.545 -3.646 1.00 0.00 N ATOM 1091 CA THR A 69 4.677 -3.855 -4.189 1.00 0.00 C ATOM 1092 C THR A 69 4.243 -4.974 -3.253 1.00 0.00 C ATOM 1093 O THR A 69 4.579 -4.981 -2.071 1.00 0.00 O ATOM 1094 CB THR A 69 6.175 -3.952 -4.465 1.00 0.00 C ATOM 1095 OG1 THR A 69 6.914 -3.302 -3.445 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.574 -3.335 -5.788 1.00 0.00 C ATOM 0 H THR A 69 4.926 -2.267 -2.847 1.00 0.00 H new ATOM 0 HA THR A 69 4.127 -3.973 -5.123 1.00 0.00 H new ATOM 0 HB THR A 69 6.400 -5.018 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.813 -3.092 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.650 -3.436 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.055 -3.846 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.305 -2.279 -5.793 1.00 0.00 H new ATOM 1104 N TRP A 70 3.511 -5.929 -3.808 1.00 0.00 N ATOM 1105 CA TRP A 70 3.036 -7.078 -3.061 1.00 0.00 C ATOM 1106 C TRP A 70 3.128 -8.314 -3.940 1.00 0.00 C ATOM 1107 O TRP A 70 2.676 -8.303 -5.082 1.00 0.00 O ATOM 1108 CB TRP A 70 1.597 -6.865 -2.590 1.00 0.00 C ATOM 1109 CG TRP A 70 1.293 -7.503 -1.265 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.180 -8.098 -0.410 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.007 -7.616 -0.646 1.00 0.00 C ATOM 1112 NE1 TRP A 70 1.518 -8.570 0.698 1.00 0.00 N ATOM 1113 CE2 TRP A 70 0.191 -8.286 0.577 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -1.283 -7.215 -1.003 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -0.856 -8.564 1.440 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -2.328 -7.494 -0.143 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -2.108 -8.163 1.068 1.00 0.00 C ATOM 0 H TRP A 70 3.231 -5.927 -4.789 1.00 0.00 H new ATOM 0 HA TRP A 70 3.659 -7.211 -2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.402 -5.795 -2.521 1.00 0.00 H new ATOM 0 HB3 TRP A 70 0.916 -7.266 -3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.243 -8.184 -0.581 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.950 -9.055 1.484 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.460 -6.697 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.689 -9.080 2.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.330 -7.192 -0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.944 -8.366 1.720 1.00 0.00 H new ATOM 1128 N ARG A 71 3.728 -9.367 -3.416 1.00 0.00 N ATOM 1129 CA ARG A 71 3.894 -10.596 -4.176 1.00 0.00 C ATOM 1130 C ARG A 71 3.835 -11.801 -3.253 1.00 0.00 C ATOM 1131 O ARG A 71 4.432 -11.797 -2.181 1.00 0.00 O ATOM 1132 CB ARG A 71 5.229 -10.590 -4.942 1.00 0.00 C ATOM 1133 CG ARG A 71 5.965 -9.254 -4.929 1.00 0.00 C ATOM 1134 CD ARG A 71 5.570 -8.379 -6.107 1.00 0.00 C ATOM 1135 NE ARG A 71 6.433 -7.209 -6.226 1.00 0.00 N ATOM 1136 CZ ARG A 71 7.622 -7.220 -6.826 1.00 0.00 C ATOM 1137 NH1 ARG A 71 8.088 -8.337 -7.370 1.00 0.00 N ATOM 1138 NH2 ARG A 71 8.346 -6.112 -6.882 1.00 0.00 N ATOM 0 H ARG A 71 4.108 -9.398 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 71 3.079 -10.659 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.881 -11.353 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.040 -10.875 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.749 -8.729 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.040 -9.431 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.620 -8.963 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.535 -8.057 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 71 6.106 -6.330 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.535 -9.193 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.999 -8.340 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.993 -5.250 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.257 -6.120 -7.341 1.00 0.00 H new ATOM 1152 N ASP A 72 3.129 -12.837 -3.677 1.00 0.00 N ATOM 1153 CA ASP A 72 3.024 -14.041 -2.875 1.00 0.00 C ATOM 1154 C ASP A 72 4.291 -14.861 -3.039 1.00 0.00 C ATOM 1155 O ASP A 72 5.074 -14.611 -3.957 1.00 0.00 O ATOM 1156 CB ASP A 72 1.796 -14.861 -3.283 1.00 0.00 C ATOM 1157 CG ASP A 72 1.859 -15.340 -4.722 1.00 0.00 C ATOM 1158 OD1 ASP A 72 2.948 -15.263 -5.330 1.00 0.00 O ATOM 1159 OD2 ASP A 72 0.817 -15.793 -5.241 1.00 0.00 O ATOM 0 H ASP A 72 2.625 -12.867 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 72 2.905 -13.764 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.704 -15.723 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.899 -14.257 -3.145 1.00 0.00 H new ATOM 1164 N LYS A 73 4.494 -15.830 -2.146 1.00 0.00 N ATOM 1165 CA LYS A 73 5.682 -16.684 -2.182 1.00 0.00 C ATOM 1166 C LYS A 73 6.015 -17.129 -3.603 1.00 0.00 C ATOM 1167 O LYS A 73 7.171 -17.410 -3.917 1.00 0.00 O ATOM 1168 CB LYS A 73 5.488 -17.903 -1.282 1.00 0.00 C ATOM 1169 CG LYS A 73 6.788 -18.466 -0.731 1.00 0.00 C ATOM 1170 CD LYS A 73 6.567 -19.201 0.583 1.00 0.00 C ATOM 1171 CE LYS A 73 7.307 -18.531 1.731 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.464 -18.438 2.957 1.00 0.00 N ATOM 0 H LYS A 73 3.848 -16.044 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 73 6.521 -16.095 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.839 -17.630 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.974 -18.682 -1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.228 -19.147 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.501 -17.656 -0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.501 -19.234 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.905 -20.233 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.214 -19.093 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.618 -17.531 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.305 -17.438 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.549 -18.902 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.948 -18.909 3.748 1.00 0.00 H new ATOM 1186 N GLU A 74 5.003 -17.176 -4.465 1.00 0.00 N ATOM 1187 CA GLU A 74 5.208 -17.569 -5.853 1.00 0.00 C ATOM 1188 C GLU A 74 5.963 -16.481 -6.625 1.00 0.00 C ATOM 1189 O GLU A 74 6.237 -16.634 -7.815 1.00 0.00 O ATOM 1190 CB GLU A 74 3.863 -17.856 -6.527 1.00 0.00 C ATOM 1191 CG GLU A 74 3.738 -19.277 -7.054 1.00 0.00 C ATOM 1192 CD GLU A 74 4.438 -19.468 -8.384 1.00 0.00 C ATOM 1193 OE1 GLU A 74 3.906 -18.991 -9.408 1.00 0.00 O ATOM 1194 OE2 GLU A 74 5.517 -20.096 -8.403 1.00 0.00 O ATOM 0 H GLU A 74 4.038 -16.948 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 74 5.811 -18.477 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.061 -17.670 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.723 -17.158 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.157 -19.970 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.683 -19.529 -7.163 1.00 0.00 H new ATOM 1201 N ASN A 75 6.296 -15.385 -5.938 1.00 0.00 N ATOM 1202 CA ASN A 75 7.019 -14.274 -6.547 1.00 0.00 C ATOM 1203 C ASN A 75 6.098 -13.424 -7.416 1.00 0.00 C ATOM 1204 O ASN A 75 6.464 -13.041 -8.528 1.00 0.00 O ATOM 1205 CB ASN A 75 8.199 -14.788 -7.378 1.00 0.00 C ATOM 1206 CG ASN A 75 9.331 -13.782 -7.459 1.00 0.00 C ATOM 1207 OD1 ASN A 75 10.145 -13.671 -6.541 1.00 0.00 O ATOM 1208 ND2 ASN A 75 9.390 -13.042 -8.561 1.00 0.00 N ATOM 0 H ASN A 75 6.073 -15.247 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 75 7.401 -13.648 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.571 -15.715 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.855 -15.025 -8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.130 -12.349 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.695 -13.167 -9.297 1.00 0.00 H new ATOM 1215 N ASN A 76 4.900 -13.122 -6.910 1.00 0.00 N ATOM 1216 CA ASN A 76 3.947 -12.301 -7.670 1.00 0.00 C ATOM 1217 C ASN A 76 2.587 -12.199 -6.978 1.00 0.00 C ATOM 1218 O ASN A 76 2.163 -13.118 -6.279 1.00 0.00 O ATOM 1219 CB ASN A 76 3.756 -12.872 -9.080 1.00 0.00 C ATOM 1220 CG ASN A 76 3.595 -14.380 -9.078 1.00 0.00 C ATOM 1221 OD1 ASN A 76 4.541 -15.116 -9.360 1.00 0.00 O ATOM 1222 ND2 ASN A 76 2.393 -14.847 -8.762 1.00 0.00 N ATOM 0 H ASN A 76 4.568 -13.426 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 76 4.371 -11.298 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.878 -12.417 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.613 -12.602 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.225 -15.853 -8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.638 -14.200 -8.535 1.00 0.00 H new ATOM 1229 N SER A 77 1.903 -11.076 -7.200 1.00 0.00 N ATOM 1230 CA SER A 77 0.582 -10.841 -6.620 1.00 0.00 C ATOM 1231 C SER A 77 -0.043 -9.561 -7.168 1.00 0.00 C ATOM 1232 O SER A 77 -1.099 -9.595 -7.800 1.00 0.00 O ATOM 1233 CB SER A 77 0.660 -10.760 -5.099 1.00 0.00 C ATOM 1234 OG SER A 77 0.821 -12.043 -4.521 1.00 0.00 O ATOM 0 H SER A 77 2.246 -10.311 -7.781 1.00 0.00 H new ATOM 0 HA SER A 77 -0.048 -11.686 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.495 -10.121 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.246 -10.295 -4.711 1.00 0.00 H new ATOM 0 HG SER A 77 0.865 -12.718 -5.230 1.00 0.00 H new ATOM 1240 N GLY A 78 0.613 -8.429 -6.917 1.00 0.00 N ATOM 1241 CA GLY A 78 0.104 -7.153 -7.383 1.00 0.00 C ATOM 1242 C GLY A 78 1.049 -6.002 -7.086 1.00 0.00 C ATOM 1243 O GLY A 78 1.595 -5.908 -5.986 1.00 0.00 O ATOM 0 H GLY A 78 1.489 -8.375 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.071 -7.207 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.860 -6.957 -6.913 1.00 0.00 H new ATOM 1247 N LEU A 79 1.236 -5.125 -8.066 1.00 0.00 N ATOM 1248 CA LEU A 79 2.115 -3.967 -7.912 1.00 0.00 C ATOM 1249 C LEU A 79 1.566 -2.782 -8.704 1.00 0.00 C ATOM 1250 O LEU A 79 1.435 -2.853 -9.926 1.00 0.00 O ATOM 1251 CB LEU A 79 3.533 -4.310 -8.383 1.00 0.00 C ATOM 1252 CG LEU A 79 4.431 -3.109 -8.702 1.00 0.00 C ATOM 1253 CD1 LEU A 79 4.459 -2.136 -7.535 1.00 0.00 C ATOM 1254 CD2 LEU A 79 5.838 -3.575 -9.046 1.00 0.00 C ATOM 0 H LEU A 79 0.789 -5.193 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 79 2.155 -3.695 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.018 -4.910 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.460 -4.934 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 79 4.019 -2.590 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.102 -1.291 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.449 -1.778 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.846 -2.641 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.463 -2.711 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.259 -4.117 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.802 -4.231 -9.915 1.00 0.00 H new ATOM 1266 N ILE A 80 1.236 -1.696 -8.008 1.00 0.00 N ATOM 1267 CA ILE A 80 0.690 -0.510 -8.668 1.00 0.00 C ATOM 1268 C ILE A 80 0.870 0.744 -7.819 1.00 0.00 C ATOM 1269 O ILE A 80 1.498 0.700 -6.769 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.805 -0.685 -8.973 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.548 -1.121 -7.713 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.008 -1.691 -10.095 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -2.991 -0.675 -7.677 1.00 0.00 C ATOM 0 H ILE A 80 1.335 -1.612 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 80 1.245 -0.392 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.211 0.272 -9.302 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.510 -2.208 -7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.031 -0.722 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.074 -1.801 -10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.503 -1.339 -10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.593 -2.655 -9.799 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.456 -1.020 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.037 0.413 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.523 -1.096 -8.530 1.00 0.00 H new ATOM 1285 N LYS A 81 0.312 1.861 -8.288 1.00 0.00 N ATOM 1286 CA LYS A 81 0.412 3.133 -7.571 1.00 0.00 C ATOM 1287 C LYS A 81 -0.863 3.441 -6.784 1.00 0.00 C ATOM 1288 O LYS A 81 -1.862 3.879 -7.356 1.00 0.00 O ATOM 1289 CB LYS A 81 0.692 4.272 -8.554 1.00 0.00 C ATOM 1290 CG LYS A 81 -0.408 4.474 -9.584 1.00 0.00 C ATOM 1291 CD LYS A 81 0.159 4.889 -10.931 1.00 0.00 C ATOM 1292 CE LYS A 81 0.770 6.279 -10.873 1.00 0.00 C ATOM 1293 NZ LYS A 81 -0.246 7.343 -11.104 1.00 0.00 N ATOM 0 H LYS A 81 -0.214 1.911 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 81 1.236 3.045 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.828 5.198 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.630 4.071 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.976 3.551 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.103 5.235 -9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.916 4.170 -11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.631 4.869 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.238 6.429 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.558 6.361 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.211 8.276 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.675 7.215 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.985 7.282 -10.374 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.850 3.225 -5.455 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.990 3.485 -4.590 1.00 0.00 C ATOM 1309 C PRO A 82 -1.992 4.911 -4.060 1.00 0.00 C ATOM 1310 O PRO A 82 -1.292 5.781 -4.580 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.794 2.487 -3.436 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.424 1.898 -3.615 1.00 0.00 C ATOM 1313 CD PRO A 82 0.269 2.716 -4.670 1.00 0.00 C ATOM 0 HA PRO A 82 -2.938 3.371 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.879 2.987 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.558 1.710 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.133 1.924 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.490 0.853 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.861 3.522 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.947 2.112 -5.273 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.777 5.137 -3.018 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.870 6.448 -2.402 1.00 0.00 C ATOM 1323 C PHE A 83 -2.328 6.402 -0.985 1.00 0.00 C ATOM 1324 O PHE A 83 -2.821 5.657 -0.145 1.00 0.00 O ATOM 1325 CB PHE A 83 -4.323 6.931 -2.394 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.672 7.803 -3.563 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -3.777 8.756 -4.014 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.889 7.670 -4.209 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -4.089 9.565 -5.091 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -6.209 8.473 -5.287 1.00 0.00 C ATOM 1331 CZ PHE A 83 -5.307 9.423 -5.729 1.00 0.00 C ATOM 0 H PHE A 83 -3.361 4.424 -2.581 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.272 7.148 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.985 6.065 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.509 7.482 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.824 8.870 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.597 6.930 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.382 10.307 -5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.161 8.359 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.554 10.053 -6.571 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.306 7.196 -0.730 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.684 7.245 0.569 1.00 0.00 C ATOM 1343 C VAL A 84 -0.942 8.582 1.244 1.00 0.00 C ATOM 1344 O VAL A 84 -0.458 9.621 0.797 1.00 0.00 O ATOM 1345 CB VAL A 84 0.832 7.028 0.419 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.494 6.828 1.753 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.126 5.863 -0.515 1.00 0.00 C ATOM 0 H VAL A 84 -0.888 7.822 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.113 6.458 1.189 1.00 0.00 H new ATOM 0 HB VAL A 84 1.251 7.931 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.564 6.678 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.332 7.708 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.067 5.953 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.204 5.731 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.681 4.953 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.704 6.070 -1.498 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.708 8.552 2.328 1.00 0.00 N ATOM 1358 CA ILE A 85 -2.032 9.751 3.067 1.00 0.00 C ATOM 1359 C ILE A 85 -1.598 9.599 4.520 1.00 0.00 C ATOM 1360 O ILE A 85 -1.590 8.491 5.057 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.541 10.042 3.022 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -4.294 8.933 2.276 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.813 11.404 2.386 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -5.799 9.062 2.367 1.00 0.00 C ATOM 0 H ILE A 85 -2.116 7.699 2.712 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.501 10.582 2.603 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.908 10.066 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.999 8.946 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.995 7.966 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.887 11.588 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.323 12.183 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.423 11.415 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.268 8.246 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.105 9.019 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.109 10.014 1.937 1.00 0.00 H new ATOM 1376 N PRO A 86 -1.232 10.704 5.183 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.799 10.668 6.576 1.00 0.00 C ATOM 1378 C PRO A 86 -1.973 10.676 7.549 1.00 0.00 C ATOM 1379 O PRO A 86 -2.007 11.476 8.483 1.00 0.00 O ATOM 1380 CB PRO A 86 0.016 11.951 6.704 1.00 0.00 C ATOM 1381 CG PRO A 86 -0.633 12.903 5.757 1.00 0.00 C ATOM 1382 CD PRO A 86 -1.208 12.074 4.634 1.00 0.00 C ATOM 0 HA PRO A 86 -0.245 9.761 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.002 12.332 7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.062 11.784 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.416 13.473 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.091 13.623 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.207 12.412 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.592 12.134 3.737 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.942 9.790 7.325 1.00 0.00 N ATOM 1391 CA ASN A 87 -4.112 9.722 8.191 1.00 0.00 C ATOM 1392 C ASN A 87 -4.561 8.284 8.459 1.00 0.00 C ATOM 1393 O ASN A 87 -5.565 8.064 9.138 1.00 0.00 O ATOM 1394 CB ASN A 87 -5.268 10.522 7.588 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.450 10.250 6.108 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -5.604 9.103 5.688 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -5.435 11.309 5.305 1.00 0.00 N ATOM 0 H ASN A 87 -2.939 9.117 6.559 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.822 10.157 9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.190 10.277 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.087 11.586 7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.554 11.188 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.305 12.243 5.695 1.00 0.00 H new ATOM 1404 N LEU A 88 -3.822 7.304 7.944 1.00 0.00 N ATOM 1405 CA LEU A 88 -4.168 5.901 8.158 1.00 0.00 C ATOM 1406 C LEU A 88 -5.480 5.537 7.469 1.00 0.00 C ATOM 1407 O LEU A 88 -6.524 5.461 8.115 1.00 0.00 O ATOM 1408 CB LEU A 88 -4.281 5.613 9.659 1.00 0.00 C ATOM 1409 CG LEU A 88 -3.955 4.178 10.076 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -2.476 3.883 9.872 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -4.356 3.943 11.524 1.00 0.00 C ATOM 0 H LEU A 88 -2.986 7.454 7.380 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.375 5.293 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.614 6.289 10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.296 5.846 9.981 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.527 3.497 9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.264 2.857 10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.221 4.011 8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.882 4.569 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.118 2.917 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.811 4.632 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.427 4.111 11.637 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.453 5.297 6.145 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.645 4.935 5.379 1.00 0.00 C ATOM 1425 C PRO A 89 -7.026 3.464 5.540 1.00 0.00 C ATOM 1426 O PRO A 89 -7.697 2.900 4.679 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.246 5.221 3.919 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.871 5.809 3.978 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.276 5.359 5.275 1.00 0.00 C ATOM 0 HA PRO A 89 -7.517 5.495 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.255 4.307 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.947 5.912 3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.267 5.471 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.911 6.897 3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.784 4.390 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.530 6.061 5.647 1.00 0.00 H new ATOM 1437 N VAL A 90 -6.604 2.847 6.648 1.00 0.00 N ATOM 1438 CA VAL A 90 -6.912 1.444 6.919 1.00 0.00 C ATOM 1439 C VAL A 90 -6.086 0.494 6.051 1.00 0.00 C ATOM 1440 O VAL A 90 -6.276 -0.721 6.093 1.00 0.00 O ATOM 1441 CB VAL A 90 -8.397 1.160 6.680 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -8.758 -0.252 7.120 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -9.258 2.193 7.393 1.00 0.00 C ATOM 0 H VAL A 90 -6.047 3.301 7.372 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.660 1.268 7.965 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.593 1.234 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.818 -0.429 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.168 -0.972 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.546 -0.367 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.311 1.976 7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.058 2.156 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.022 3.187 7.014 1.00 0.00 H new ATOM 1453 N ASN A 91 -5.174 1.055 5.265 1.00 0.00 N ATOM 1454 CA ASN A 91 -4.313 0.268 4.381 1.00 0.00 C ATOM 1455 C ASN A 91 -5.093 -0.802 3.622 1.00 0.00 C ATOM 1456 O ASN A 91 -5.087 -1.975 3.999 1.00 0.00 O ATOM 1457 CB ASN A 91 -3.160 -0.381 5.160 1.00 0.00 C ATOM 1458 CG ASN A 91 -3.609 -1.065 6.438 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -3.991 -0.410 7.407 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -3.550 -2.390 6.448 1.00 0.00 N ATOM 0 H ASN A 91 -5.009 2.061 5.220 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.899 0.964 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.664 -1.111 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.421 0.382 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.828 -2.907 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.227 -2.892 5.621 1.00 0.00 H new ATOM 1467 N LEU A 92 -5.746 -0.392 2.540 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.510 -1.313 1.705 1.00 0.00 C ATOM 1469 C LEU A 92 -5.884 -1.409 0.325 1.00 0.00 C ATOM 1470 O LEU A 92 -5.146 -0.521 -0.094 1.00 0.00 O ATOM 1471 CB LEU A 92 -7.974 -0.881 1.563 1.00 0.00 C ATOM 1472 CG LEU A 92 -8.243 0.619 1.680 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -9.291 1.044 0.664 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -8.690 0.970 3.090 1.00 0.00 C ATOM 0 H LEU A 92 -5.762 0.576 2.219 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.488 -2.286 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.341 -1.222 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.560 -1.396 2.325 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.319 1.158 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.475 2.114 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.934 0.823 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.217 0.500 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.877 2.042 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.604 0.426 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.909 0.694 3.799 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.179 -2.487 -0.378 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.645 -2.681 -1.713 1.00 0.00 C ATOM 1488 C TRP A 93 -6.699 -2.376 -2.765 1.00 0.00 C ATOM 1489 O TRP A 93 -7.805 -1.942 -2.447 1.00 0.00 O ATOM 1490 CB TRP A 93 -5.134 -4.107 -1.878 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.679 -4.161 -2.209 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -3.131 -4.297 -3.449 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.586 -4.064 -1.291 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.763 -4.303 -3.360 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.404 -4.158 -2.047 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -2.489 -3.909 0.094 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 -0.145 -4.103 -1.469 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -1.233 -3.852 0.670 1.00 0.00 C ATOM 1499 CH2 TRP A 93 -0.075 -3.949 -0.111 1.00 0.00 C ATOM 0 H TRP A 93 -6.784 -3.239 -0.048 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.812 -1.991 -1.850 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -5.314 -4.662 -0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.701 -4.603 -2.666 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.692 -4.387 -4.367 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.118 -4.400 -4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.378 -3.835 0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.749 -4.179 -2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.144 -3.731 1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.892 -3.901 0.367 1.00 0.00 H new ATOM 1510 N GLY A 94 -6.345 -2.604 -4.020 1.00 0.00 N ATOM 1511 CA GLY A 94 -7.265 -2.353 -5.108 1.00 0.00 C ATOM 1512 C GLY A 94 -7.807 -3.644 -5.687 1.00 0.00 C ATOM 1513 O GLY A 94 -7.212 -4.704 -5.502 1.00 0.00 O ATOM 0 H GLY A 94 -5.433 -2.960 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.091 -1.738 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.759 -1.787 -5.890 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.941 -3.567 -6.368 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.556 -4.765 -6.938 1.00 0.00 C ATOM 1519 C ARG A 95 -8.659 -5.428 -7.974 1.00 0.00 C ATOM 1520 O ARG A 95 -8.724 -6.638 -8.167 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.934 -4.489 -7.571 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.464 -3.065 -7.443 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.926 -3.057 -7.017 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.717 -4.048 -7.740 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.038 -3.944 -9.027 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -13.645 -2.891 -9.735 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -14.755 -4.895 -9.611 1.00 0.00 N ATOM 0 H ARG A 95 -9.452 -2.701 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.695 -5.442 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.880 -4.740 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.659 -5.166 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.867 -2.516 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.358 -2.548 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.992 -3.253 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.346 -2.066 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 95 -14.043 -4.868 -7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.094 -2.156 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.895 -2.818 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.060 -5.706 -9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.001 -4.815 -10.598 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.841 -4.641 -8.654 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.959 -5.177 -9.685 1.00 0.00 C ATOM 1543 C ASP A 96 -5.932 -6.155 -9.111 1.00 0.00 C ATOM 1544 O ASP A 96 -5.675 -7.215 -9.693 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.242 -4.033 -10.407 1.00 0.00 C ATOM 1546 CG ASP A 96 -6.773 -3.810 -11.810 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -7.925 -3.344 -11.940 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -6.038 -4.101 -12.777 1.00 0.00 O ATOM 0 H ASP A 96 -7.767 -3.633 -8.514 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.579 -5.728 -10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.354 -3.116 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.175 -4.250 -10.456 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.336 -5.796 -7.980 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.322 -6.649 -7.363 1.00 0.00 C ATOM 1555 C LEU A 97 -4.958 -7.847 -6.674 1.00 0.00 C ATOM 1556 O LEU A 97 -4.588 -8.991 -6.938 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.456 -5.863 -6.361 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.924 -4.487 -6.818 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -1.423 -4.393 -6.583 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -3.238 -4.199 -8.281 1.00 0.00 C ATOM 0 H LEU A 97 -5.532 -4.932 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.676 -7.009 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.040 -5.715 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.601 -6.484 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.436 -3.734 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.064 -3.417 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.212 -4.520 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.916 -5.175 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.843 -3.220 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.779 -4.962 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.318 -4.208 -8.430 1.00 0.00 H new ATOM 1572 N LEU A 98 -5.914 -7.585 -5.795 1.00 0.00 N ATOM 1573 CA LEU A 98 -6.593 -8.657 -5.080 1.00 0.00 C ATOM 1574 C LEU A 98 -7.303 -9.584 -6.060 1.00 0.00 C ATOM 1575 O LEU A 98 -7.460 -10.778 -5.798 1.00 0.00 O ATOM 1576 CB LEU A 98 -7.561 -8.077 -4.041 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.038 -6.849 -3.276 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -7.684 -6.751 -1.909 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -5.526 -6.894 -3.129 1.00 0.00 C ATOM 0 H LEU A 98 -6.236 -6.646 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.853 -9.251 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.489 -7.804 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.806 -8.857 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.303 -5.965 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.299 -5.875 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.764 -6.660 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.454 -7.647 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.187 -6.013 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.240 -7.792 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.065 -6.910 -4.116 1.00 0.00 H new ATOM 1591 N SER A 99 -7.692 -9.035 -7.211 1.00 0.00 N ATOM 1592 CA SER A 99 -8.346 -9.823 -8.248 1.00 0.00 C ATOM 1593 C SER A 99 -7.382 -10.882 -8.762 1.00 0.00 C ATOM 1594 O SER A 99 -7.714 -12.061 -8.837 1.00 0.00 O ATOM 1595 CB SER A 99 -8.799 -8.932 -9.405 1.00 0.00 C ATOM 1596 OG SER A 99 -9.055 -9.696 -10.571 1.00 0.00 O ATOM 0 H SER A 99 -7.565 -8.051 -7.445 1.00 0.00 H new ATOM 0 HA SER A 99 -9.226 -10.302 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.699 -8.389 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.031 -8.188 -9.616 1.00 0.00 H new ATOM 0 HG SER A 99 -9.344 -9.102 -11.295 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.180 -10.440 -9.108 1.00 0.00 N ATOM 1603 CA GLN A 100 -5.149 -11.337 -9.613 1.00 0.00 C ATOM 1604 C GLN A 100 -4.663 -12.293 -8.526 1.00 0.00 C ATOM 1605 O GLN A 100 -4.572 -13.501 -8.744 1.00 0.00 O ATOM 1606 CB GLN A 100 -3.972 -10.523 -10.133 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.118 -10.092 -11.582 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.604 -8.686 -11.824 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -4.310 -7.842 -12.378 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -2.370 -8.427 -11.410 1.00 0.00 N ATOM 0 H GLN A 100 -5.894 -9.463 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.581 -11.928 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.852 -9.637 -9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.061 -11.112 -10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.576 -10.789 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.168 -10.146 -11.870 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.821 -9.157 -10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.971 -7.498 -11.546 1.00 0.00 H new ATOM 1619 N MET A 101 -4.334 -11.738 -7.362 1.00 0.00 N ATOM 1620 CA MET A 101 -3.835 -12.527 -6.239 1.00 0.00 C ATOM 1621 C MET A 101 -4.629 -13.816 -6.045 1.00 0.00 C ATOM 1622 O MET A 101 -4.086 -14.911 -6.192 1.00 0.00 O ATOM 1623 CB MET A 101 -3.864 -11.697 -4.957 1.00 0.00 C ATOM 1624 CG MET A 101 -2.546 -11.000 -4.668 1.00 0.00 C ATOM 1625 SD MET A 101 -2.400 -10.467 -2.953 1.00 0.00 S ATOM 1626 CE MET A 101 -2.886 -8.752 -3.099 1.00 0.00 C ATOM 0 H MET A 101 -4.405 -10.738 -7.172 1.00 0.00 H new ATOM 0 HA MET A 101 -2.807 -12.806 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.654 -10.950 -5.033 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.117 -12.345 -4.118 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.724 -11.675 -4.905 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.447 -10.134 -5.323 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.388 -8.437 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.001 -8.135 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.566 -8.637 -3.943 1.00 0.00 H new ATOM 1636 N LYS A 102 -5.908 -13.691 -5.710 1.00 0.00 N ATOM 1637 CA LYS A 102 -6.740 -14.869 -5.496 1.00 0.00 C ATOM 1638 C LYS A 102 -8.216 -14.512 -5.368 1.00 0.00 C ATOM 1639 O LYS A 102 -8.935 -15.098 -4.561 1.00 0.00 O ATOM 1640 CB LYS A 102 -6.278 -15.615 -4.242 1.00 0.00 C ATOM 1641 CG LYS A 102 -6.883 -17.002 -4.103 1.00 0.00 C ATOM 1642 CD LYS A 102 -7.147 -17.351 -2.647 1.00 0.00 C ATOM 1643 CE LYS A 102 -6.755 -18.788 -2.339 1.00 0.00 C ATOM 1644 NZ LYS A 102 -7.237 -19.221 -0.999 1.00 0.00 N ATOM 0 H LYS A 102 -6.386 -12.799 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.629 -15.510 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.192 -15.702 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.536 -15.025 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.816 -17.051 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.209 -17.740 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.587 -16.674 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.204 -17.205 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.166 -19.448 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.670 -18.886 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.949 -20.206 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.825 -18.608 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.274 -19.153 -0.964 1.00 0.00 H new ATOM 1658 N ILE A 103 -8.674 -13.560 -6.175 1.00 0.00 N ATOM 1659 CA ILE A 103 -10.076 -13.158 -6.138 1.00 0.00 C ATOM 1660 C ILE A 103 -10.783 -13.554 -7.429 1.00 0.00 C ATOM 1661 O ILE A 103 -11.965 -13.901 -7.422 1.00 0.00 O ATOM 1662 CB ILE A 103 -10.227 -11.641 -5.901 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -9.959 -11.303 -4.436 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -11.613 -11.154 -6.310 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -10.071 -9.827 -4.135 1.00 0.00 C ATOM 0 H ILE A 103 -8.103 -13.058 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.541 -13.679 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.492 -11.129 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.664 -11.849 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.960 -11.647 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.689 -10.081 -6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.772 -11.358 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.369 -11.674 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.869 -9.655 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -9.348 -9.277 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.077 -9.482 -4.373 1.00 0.00 H new ATOM 1677 N MET A 104 -10.053 -13.504 -8.539 1.00 0.00 N ATOM 1678 CA MET A 104 -10.610 -13.860 -9.840 1.00 0.00 C ATOM 1679 C MET A 104 -11.276 -15.234 -9.786 1.00 0.00 C ATOM 1680 O MET A 104 -11.222 -15.919 -8.765 1.00 0.00 O ATOM 1681 CB MET A 104 -9.518 -13.840 -10.917 1.00 0.00 C ATOM 1682 CG MET A 104 -8.559 -15.023 -10.859 1.00 0.00 C ATOM 1683 SD MET A 104 -7.261 -14.813 -9.628 1.00 0.00 S ATOM 1684 CE MET A 104 -5.798 -15.053 -10.634 1.00 0.00 C ATOM 0 H MET A 104 -9.074 -13.220 -8.564 1.00 0.00 H new ATOM 0 HA MET A 104 -11.368 -13.120 -10.099 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.992 -13.819 -11.898 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.945 -12.918 -10.820 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.121 -15.930 -10.636 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.104 -15.164 -11.839 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.019 -15.526 -10.036 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.041 -15.691 -11.483 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.443 -14.088 -10.995 1.00 0.00 H new ATOM 1694 N MET A 105 -11.902 -15.631 -10.889 1.00 0.00 N ATOM 1695 CA MET A 105 -12.570 -16.923 -10.956 1.00 0.00 C ATOM 1696 C MET A 105 -11.551 -18.056 -11.030 1.00 0.00 C ATOM 1697 O MET A 105 -11.367 -18.674 -12.078 1.00 0.00 O ATOM 1698 CB MET A 105 -13.507 -16.977 -12.165 1.00 0.00 C ATOM 1699 CG MET A 105 -14.807 -17.716 -11.895 1.00 0.00 C ATOM 1700 SD MET A 105 -15.930 -16.782 -10.837 1.00 0.00 S ATOM 1701 CE MET A 105 -16.294 -17.995 -9.572 1.00 0.00 C ATOM 0 H MET A 105 -11.960 -15.079 -11.744 1.00 0.00 H new ATOM 0 HA MET A 105 -13.160 -17.048 -10.048 1.00 0.00 H new ATOM 0 HB2 MET A 105 -13.736 -15.960 -12.482 1.00 0.00 H new ATOM 0 HB3 MET A 105 -12.990 -17.460 -12.994 1.00 0.00 H new ATOM 0 HG2 MET A 105 -15.301 -17.932 -12.842 1.00 0.00 H new ATOM 0 HG3 MET A 105 -14.585 -18.675 -11.426 1.00 0.00 H new ATOM 0 HE1 MET A 105 -16.979 -17.565 -8.842 1.00 0.00 H new ATOM 0 HE2 MET A 105 -16.754 -18.871 -10.029 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.370 -18.289 -9.074 1.00 0.00 H new ATOM 1711 N ALA A 106 -10.889 -18.321 -9.908 1.00 0.00 N ATOM 1712 CA ALA A 106 -9.887 -19.377 -9.843 1.00 0.00 C ATOM 1713 C ALA A 106 -10.503 -20.690 -9.372 1.00 0.00 C ATOM 1714 O ALA A 106 -11.319 -20.709 -8.450 1.00 0.00 O ATOM 1715 CB ALA A 106 -8.748 -18.966 -8.923 1.00 0.00 C ATOM 0 H ALA A 106 -11.029 -17.818 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.491 -19.532 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.006 -19.764 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.283 -18.057 -9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.137 -18.782 -7.922 1.00 0.00 H new ATOM 1721 N SER A 107 -10.110 -21.787 -10.013 1.00 0.00 N ATOM 1722 CA SER A 107 -10.624 -23.104 -9.660 1.00 0.00 C ATOM 1723 C SER A 107 -12.140 -23.157 -9.822 1.00 0.00 C ATOM 1724 O SER A 107 -12.607 -23.718 -10.834 1.00 0.00 O ATOM 1725 CB SER A 107 -10.238 -23.456 -8.222 1.00 0.00 C ATOM 1726 OG SER A 107 -9.007 -24.155 -8.180 1.00 0.00 O ATOM 1727 OXT SER A 107 -12.847 -22.638 -8.931 1.00 0.00 O ATOM 0 H SER A 107 -9.437 -21.789 -10.780 1.00 0.00 H new ATOM 0 HA SER A 107 -10.180 -23.834 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.162 -22.544 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.021 -24.065 -7.771 1.00 0.00 H new ATOM 0 HG SER A 107 -8.782 -24.366 -7.250 1.00 0.00 H new TER 1733 SER A 107