USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 788 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 82 SER OG : rot 180:sc= 0.126 USER MOD Set 1.2: A 86 THR OG1 : rot 88:sc= -0.0807 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 12 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -162:sc= -0.615 (180deg=-1.59) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00846 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.125 (180deg=0.121) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= -0.346 (180deg=-1.48!) USER MOD Single : A 46 MET CE :methyl 179:sc= 0 (180deg=-0.00301) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.85! C(o=-4.6!,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.316) USER MOD Single : A 67 ASN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 69 THR OG1 : rot 115:sc= 0.391 USER MOD Single : A 73 SER OG : rot 180:sc= -0.427 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 61:sc= -0.517! USER MOD Single : A 77 ASN : amide:sc= -4.65! C(o=-4.7!,f=-7.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 165:sc= -0.161 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 84 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.017) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.705 F(o=-1.8!,f=-0.7) USER MOD Single : A 91 LYS NZ :NH3+ -106:sc= -0.965 (180deg=-2.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.183 11.629 3.837 1.00 0.00 N ATOM 2 CA ARG A 1 11.121 11.714 2.800 1.00 0.00 C ATOM 3 C ARG A 1 10.554 10.336 2.478 1.00 0.00 C ATOM 4 O ARG A 1 11.035 9.650 1.576 1.00 0.00 O ATOM 5 CB ARG A 1 11.719 12.346 1.542 1.00 0.00 C ATOM 6 CG ARG A 1 11.636 13.863 1.524 1.00 0.00 C ATOM 7 CD ARG A 1 12.931 14.498 2.005 1.00 0.00 C ATOM 8 NE ARG A 1 13.245 15.723 1.274 1.00 0.00 N ATOM 9 CZ ARG A 1 14.135 16.624 1.686 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.798 16.442 2.820 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.360 17.711 0.960 1.00 0.00 N ATOM 0 H1 ARG A 1 12.551 12.581 4.036 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.786 11.222 4.708 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.956 11.024 3.493 1.00 0.00 H new ATOM 0 HA ARG A 1 10.301 12.326 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.764 12.047 1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.202 11.952 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.416 14.204 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.812 14.191 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.852 14.721 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.749 13.787 1.888 1.00 0.00 H new ATOM 0 HE ARG A 1 12.754 15.899 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.628 15.608 3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.478 17.136 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.852 17.856 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.041 18.402 1.274 1.00 0.00 H new ATOM 27 N ASP A 2 9.528 9.936 3.221 1.00 0.00 N ATOM 28 CA ASP A 2 8.894 8.639 3.015 1.00 0.00 C ATOM 29 C ASP A 2 8.257 8.559 1.631 1.00 0.00 C ATOM 30 O ASP A 2 8.316 7.524 0.969 1.00 0.00 O ATOM 31 CB ASP A 2 7.837 8.386 4.092 1.00 0.00 C ATOM 32 CG ASP A 2 8.381 8.585 5.493 1.00 0.00 C ATOM 33 OD1 ASP A 2 8.757 9.728 5.827 1.00 0.00 O ATOM 34 OD2 ASP A 2 8.428 7.599 6.257 1.00 0.00 O ATOM 0 H ASP A 2 9.117 10.491 3.972 1.00 0.00 H new ATOM 0 HA ASP A 2 9.664 7.871 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.993 9.058 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.458 7.369 3.993 1.00 0.00 H new ATOM 39 N SER A 3 7.646 9.660 1.203 1.00 0.00 N ATOM 40 CA SER A 3 6.998 9.715 -0.102 1.00 0.00 C ATOM 41 C SER A 3 7.997 9.432 -1.219 1.00 0.00 C ATOM 42 O SER A 3 9.120 9.938 -1.203 1.00 0.00 O ATOM 43 CB SER A 3 6.352 11.085 -0.316 1.00 0.00 C ATOM 44 OG SER A 3 7.149 12.117 0.237 1.00 0.00 O ATOM 0 H SER A 3 7.586 10.525 1.741 1.00 0.00 H new ATOM 0 HA SER A 3 6.225 8.947 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.212 11.262 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.363 11.100 0.142 1.00 0.00 H new ATOM 0 HG SER A 3 6.715 12.982 0.085 1.00 0.00 H new ATOM 50 N GLY A 4 7.583 8.621 -2.187 1.00 0.00 N ATOM 51 CA GLY A 4 8.457 8.286 -3.296 1.00 0.00 C ATOM 52 C GLY A 4 9.559 7.326 -2.898 1.00 0.00 C ATOM 53 O GLY A 4 9.380 6.499 -2.005 1.00 0.00 O ATOM 0 H GLY A 4 6.659 8.190 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.867 7.844 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.901 9.199 -3.693 1.00 0.00 H new ATOM 57 N THR A 5 10.704 7.440 -3.564 1.00 0.00 N ATOM 58 CA THR A 5 11.852 6.580 -3.283 1.00 0.00 C ATOM 59 C THR A 5 12.106 6.463 -1.793 1.00 0.00 C ATOM 60 O THR A 5 12.043 7.445 -1.052 1.00 0.00 O ATOM 61 CB THR A 5 13.103 7.115 -3.981 1.00 0.00 C ATOM 62 OG1 THR A 5 12.801 7.536 -5.300 1.00 0.00 O ATOM 63 CG2 THR A 5 14.218 6.100 -4.066 1.00 0.00 C ATOM 0 H THR A 5 10.863 8.122 -4.305 1.00 0.00 H new ATOM 0 HA THR A 5 11.621 5.587 -3.668 1.00 0.00 H new ATOM 0 HB THR A 5 13.441 7.951 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.614 7.876 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.076 6.543 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.508 5.793 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.876 5.230 -4.626 1.00 0.00 H new ATOM 71 N VAL A 6 12.387 5.244 -1.369 1.00 0.00 N ATOM 72 CA VAL A 6 12.647 4.958 0.025 1.00 0.00 C ATOM 73 C VAL A 6 13.936 4.156 0.174 1.00 0.00 C ATOM 74 O VAL A 6 14.274 3.340 -0.685 1.00 0.00 O ATOM 75 CB VAL A 6 11.465 4.179 0.639 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.695 2.701 0.517 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.222 4.579 2.089 1.00 0.00 C ATOM 0 H VAL A 6 12.441 4.429 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 6 12.761 5.903 0.556 1.00 0.00 H new ATOM 0 HB VAL A 6 10.566 4.436 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.853 2.164 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.789 2.433 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.610 2.431 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.382 4.010 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.115 4.370 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.995 5.644 2.140 1.00 0.00 H new ATOM 87 N TRP A 7 14.647 4.390 1.266 1.00 0.00 N ATOM 88 CA TRP A 7 15.894 3.687 1.523 1.00 0.00 C ATOM 89 C TRP A 7 15.745 2.749 2.713 1.00 0.00 C ATOM 90 O TRP A 7 15.303 3.158 3.786 1.00 0.00 O ATOM 91 CB TRP A 7 17.016 4.695 1.766 1.00 0.00 C ATOM 92 CG TRP A 7 17.268 5.567 0.577 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.612 6.720 0.249 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.233 5.345 -0.453 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.116 7.230 -0.923 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.115 6.405 -1.373 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.190 4.354 -0.685 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.917 6.500 -2.506 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.986 4.449 -1.811 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.846 5.515 -2.709 1.00 0.00 C ATOM 0 H TRP A 7 14.382 5.060 1.988 1.00 0.00 H new ATOM 0 HA TRP A 7 16.146 3.085 0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.761 5.319 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.931 4.161 2.022 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.815 7.165 0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.799 8.083 -1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.306 3.529 0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.811 7.321 -3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.729 3.688 -2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.484 5.561 -3.579 1.00 0.00 H new ATOM 111 N GLY A 8 16.108 1.486 2.513 1.00 0.00 N ATOM 112 CA GLY A 8 15.990 0.514 3.595 1.00 0.00 C ATOM 113 C GLY A 8 17.070 -0.549 3.553 1.00 0.00 C ATOM 114 O GLY A 8 17.947 -0.513 2.692 1.00 0.00 O ATOM 0 H GLY A 8 16.477 1.118 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.037 1.035 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.013 0.034 3.541 1.00 0.00 H new ATOM 118 N ALA A 9 17.010 -1.496 4.486 1.00 0.00 N ATOM 119 CA ALA A 9 17.995 -2.569 4.545 1.00 0.00 C ATOM 120 C ALA A 9 17.322 -3.933 4.519 1.00 0.00 C ATOM 121 O ALA A 9 16.356 -4.178 5.241 1.00 0.00 O ATOM 122 CB ALA A 9 18.861 -2.437 5.784 1.00 0.00 C ATOM 0 H ALA A 9 16.292 -1.541 5.209 1.00 0.00 H new ATOM 0 HA ALA A 9 18.631 -2.484 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.589 -3.248 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.384 -1.481 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.233 -2.487 6.674 1.00 0.00 H new ATOM 128 N LEU A 10 17.843 -4.820 3.685 1.00 0.00 N ATOM 129 CA LEU A 10 17.293 -6.167 3.560 1.00 0.00 C ATOM 130 C LEU A 10 17.213 -6.853 4.918 1.00 0.00 C ATOM 131 O LEU A 10 18.165 -6.828 5.697 1.00 0.00 O ATOM 132 CB LEU A 10 18.154 -6.998 2.603 1.00 0.00 C ATOM 133 CG LEU A 10 17.428 -8.129 1.867 1.00 0.00 C ATOM 134 CD1 LEU A 10 17.061 -7.694 0.456 1.00 0.00 C ATOM 135 CD2 LEU A 10 18.296 -9.375 1.829 1.00 0.00 C ATOM 0 H LEU A 10 18.646 -4.634 3.084 1.00 0.00 H new ATOM 0 HA LEU A 10 16.283 -6.087 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.590 -6.328 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.980 -7.429 3.168 1.00 0.00 H new ATOM 0 HG LEU A 10 16.510 -8.362 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.546 -8.508 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.407 -6.824 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.967 -7.438 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.768 -10.170 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.228 -9.153 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.516 -9.697 2.847 1.00 0.00 H new ATOM 147 N GLY A 11 16.066 -7.462 5.193 1.00 0.00 N ATOM 148 CA GLY A 11 15.877 -8.144 6.456 1.00 0.00 C ATOM 149 C GLY A 11 15.338 -7.231 7.541 1.00 0.00 C ATOM 150 O GLY A 11 15.015 -7.691 8.636 1.00 0.00 O ATOM 0 H GLY A 11 15.264 -7.495 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.190 -8.978 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.828 -8.566 6.782 1.00 0.00 H new ATOM 154 N HIS A 12 15.237 -5.934 7.246 1.00 0.00 N ATOM 155 CA HIS A 12 14.732 -4.978 8.215 1.00 0.00 C ATOM 156 C HIS A 12 13.339 -4.502 7.803 1.00 0.00 C ATOM 157 O HIS A 12 12.896 -4.753 6.681 1.00 0.00 O ATOM 158 CB HIS A 12 15.728 -3.815 8.343 1.00 0.00 C ATOM 159 CG HIS A 12 15.114 -2.466 8.525 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.833 -1.639 7.468 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.761 -1.788 9.642 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.336 -0.500 7.920 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.280 -0.568 9.238 1.00 0.00 N ATOM 0 H HIS A 12 15.498 -5.529 6.347 1.00 0.00 H new ATOM 0 HA HIS A 12 14.635 -5.448 9.194 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.386 -4.014 9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.353 -3.794 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.843 -2.141 10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.029 0.341 7.316 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.935 0.167 9.855 1.00 0.00 H new ATOM 172 N GLY A 13 12.649 -3.832 8.718 1.00 0.00 N ATOM 173 CA GLY A 13 11.306 -3.350 8.428 1.00 0.00 C ATOM 174 C GLY A 13 11.299 -2.209 7.433 1.00 0.00 C ATOM 175 O GLY A 13 12.343 -1.838 6.904 1.00 0.00 O ATOM 0 H GLY A 13 12.991 -3.613 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.706 -4.172 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.834 -3.022 9.354 1.00 0.00 H new ATOM 179 N ILE A 14 10.118 -1.651 7.180 1.00 0.00 N ATOM 180 CA ILE A 14 9.965 -0.537 6.245 1.00 0.00 C ATOM 181 C ILE A 14 8.490 -0.307 5.914 1.00 0.00 C ATOM 182 O ILE A 14 7.735 -1.257 5.692 1.00 0.00 O ATOM 183 CB ILE A 14 10.764 -0.760 4.937 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.754 0.501 4.072 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.221 -1.947 4.156 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.014 1.329 4.206 1.00 0.00 C ATOM 0 H ILE A 14 9.246 -1.954 7.613 1.00 0.00 H new ATOM 0 HA ILE A 14 10.368 0.347 6.739 1.00 0.00 H new ATOM 0 HB ILE A 14 11.795 -0.981 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.624 0.216 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.894 1.113 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.802 -2.078 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.294 -2.848 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.177 -1.767 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.941 2.208 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.134 1.643 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.875 0.732 3.906 1.00 0.00 H new ATOM 198 N ASP A 15 8.082 0.958 5.899 1.00 0.00 N ATOM 199 CA ASP A 15 6.697 1.308 5.608 1.00 0.00 C ATOM 200 C ASP A 15 6.605 2.239 4.402 1.00 0.00 C ATOM 201 O ASP A 15 7.323 3.235 4.317 1.00 0.00 O ATOM 202 CB ASP A 15 6.054 1.972 6.828 1.00 0.00 C ATOM 203 CG ASP A 15 4.621 1.522 7.043 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.363 0.303 6.960 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.759 2.389 7.297 1.00 0.00 O ATOM 0 H ASP A 15 8.690 1.756 6.085 1.00 0.00 H new ATOM 0 HA ASP A 15 6.160 0.389 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.642 1.741 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.077 3.055 6.704 1.00 0.00 H new ATOM 210 N LEU A 16 5.709 1.911 3.478 1.00 0.00 N ATOM 211 CA LEU A 16 5.508 2.723 2.280 1.00 0.00 C ATOM 212 C LEU A 16 4.435 3.777 2.542 1.00 0.00 C ATOM 213 O LEU A 16 3.254 3.451 2.674 1.00 0.00 O ATOM 214 CB LEU A 16 5.094 1.834 1.094 1.00 0.00 C ATOM 215 CG LEU A 16 6.168 1.523 0.025 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.538 2.091 0.378 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.268 0.020 -0.196 1.00 0.00 C ATOM 0 H LEU A 16 5.109 1.088 3.534 1.00 0.00 H new ATOM 0 HA LEU A 16 6.445 3.221 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.733 0.886 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.251 2.311 0.595 1.00 0.00 H new ATOM 0 HG LEU A 16 5.848 2.012 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.249 1.841 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.469 3.175 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.876 1.664 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.027 -0.187 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.543 -0.468 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.305 -0.363 -0.535 1.00 0.00 H new ATOM 229 N ASP A 17 4.850 5.037 2.637 1.00 0.00 N ATOM 230 CA ASP A 17 3.916 6.125 2.909 1.00 0.00 C ATOM 231 C ASP A 17 3.375 6.754 1.629 1.00 0.00 C ATOM 232 O ASP A 17 4.132 7.232 0.783 1.00 0.00 O ATOM 233 CB ASP A 17 4.583 7.198 3.765 1.00 0.00 C ATOM 234 CG ASP A 17 4.928 6.699 5.155 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.119 5.941 5.730 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.007 7.064 5.667 1.00 0.00 O ATOM 0 H ASP A 17 5.822 5.329 2.530 1.00 0.00 H new ATOM 0 HA ASP A 17 3.074 5.694 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.491 7.541 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.919 8.059 3.846 1.00 0.00 H new ATOM 241 N ILE A 18 2.053 6.757 1.509 1.00 0.00 N ATOM 242 CA ILE A 18 1.370 7.330 0.357 1.00 0.00 C ATOM 243 C ILE A 18 1.256 8.850 0.484 1.00 0.00 C ATOM 244 O ILE A 18 0.661 9.354 1.436 1.00 0.00 O ATOM 245 CB ILE A 18 -0.043 6.736 0.224 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.041 5.214 0.123 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.769 7.319 -0.983 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.160 4.590 -0.544 1.00 0.00 C ATOM 0 H ILE A 18 1.424 6.362 2.208 1.00 0.00 H new ATOM 0 HA ILE A 18 1.959 7.089 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.616 6.999 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.938 4.943 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.149 4.796 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.765 6.882 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.854 8.400 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.208 7.092 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.034 3.508 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.058 4.831 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.257 4.980 -1.557 1.00 0.00 H new ATOM 260 N PRO A 19 1.830 9.608 -0.470 1.00 0.00 N ATOM 261 CA PRO A 19 1.785 11.075 -0.439 1.00 0.00 C ATOM 262 C PRO A 19 0.360 11.629 -0.461 1.00 0.00 C ATOM 263 O PRO A 19 -0.460 11.247 -1.296 1.00 0.00 O ATOM 264 CB PRO A 19 2.536 11.487 -1.711 1.00 0.00 C ATOM 265 CG PRO A 19 3.370 10.305 -2.067 1.00 0.00 C ATOM 266 CD PRO A 19 2.576 9.105 -1.639 1.00 0.00 C ATOM 0 HA PRO A 19 2.222 11.466 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.843 11.738 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.154 12.368 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.574 10.278 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.334 10.338 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.907 8.760 -2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.220 8.266 -1.377 1.00 0.00 H new ATOM 274 N ASN A 20 0.089 12.551 0.461 1.00 0.00 N ATOM 275 CA ASN A 20 -1.220 13.202 0.569 1.00 0.00 C ATOM 276 C ASN A 20 -2.392 12.227 0.409 1.00 0.00 C ATOM 277 O ASN A 20 -3.170 12.333 -0.540 1.00 0.00 O ATOM 278 CB ASN A 20 -1.332 14.318 -0.472 1.00 0.00 C ATOM 279 CG ASN A 20 -2.133 15.502 0.035 1.00 0.00 C ATOM 280 OD1 ASN A 20 -3.167 15.854 -0.534 1.00 0.00 O ATOM 281 ND2 ASN A 20 -1.659 16.121 1.109 1.00 0.00 N ATOM 0 H ASN A 20 0.767 12.869 1.154 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.285 13.614 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.333 14.652 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.801 13.925 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.156 16.924 1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.798 15.794 1.548 1.00 0.00 H new ATOM 288 N PHE A 21 -2.528 11.290 1.345 1.00 0.00 N ATOM 289 CA PHE A 21 -3.612 10.323 1.308 1.00 0.00 C ATOM 290 C PHE A 21 -4.149 10.064 2.714 1.00 0.00 C ATOM 291 O PHE A 21 -3.412 10.151 3.697 1.00 0.00 O ATOM 292 CB PHE A 21 -3.122 9.027 0.670 1.00 0.00 C ATOM 293 CG PHE A 21 -3.913 7.812 1.052 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.233 7.686 0.667 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.334 6.809 1.801 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.967 6.571 1.026 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.058 5.689 2.162 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.379 5.570 1.775 1.00 0.00 C ATOM 0 H PHE A 21 -1.897 11.184 2.139 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.427 10.726 0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.149 9.137 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.080 8.870 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.696 8.465 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.303 6.900 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.999 6.482 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.592 4.908 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.950 4.698 2.057 1.00 0.00 H new ATOM 308 N GLN A 22 -5.438 9.748 2.802 1.00 0.00 N ATOM 309 CA GLN A 22 -6.073 9.477 4.087 1.00 0.00 C ATOM 310 C GLN A 22 -7.158 8.415 3.944 1.00 0.00 C ATOM 311 O GLN A 22 -8.156 8.622 3.253 1.00 0.00 O ATOM 312 CB GLN A 22 -6.671 10.762 4.663 1.00 0.00 C ATOM 313 CG GLN A 22 -5.682 11.585 5.471 1.00 0.00 C ATOM 314 CD GLN A 22 -5.817 13.073 5.218 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.112 13.639 4.382 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.728 13.716 5.941 1.00 0.00 N ATOM 0 H GLN A 22 -6.062 9.673 1.999 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.311 9.101 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.056 11.372 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.520 10.505 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.831 11.386 6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.668 11.269 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.290 13.207 6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.865 14.719 5.814 1.00 0.00 H new ATOM 325 N MET A 23 -6.957 7.279 4.602 1.00 0.00 N ATOM 326 CA MET A 23 -7.918 6.184 4.549 1.00 0.00 C ATOM 327 C MET A 23 -9.103 6.453 5.472 1.00 0.00 C ATOM 328 O MET A 23 -9.154 5.953 6.595 1.00 0.00 O ATOM 329 CB MET A 23 -7.245 4.866 4.937 1.00 0.00 C ATOM 330 CG MET A 23 -8.107 3.642 4.677 1.00 0.00 C ATOM 331 SD MET A 23 -8.949 3.057 6.161 1.00 0.00 S ATOM 332 CE MET A 23 -9.243 1.345 5.730 1.00 0.00 C ATOM 0 H MET A 23 -6.137 7.092 5.179 1.00 0.00 H new ATOM 0 HA MET A 23 -8.287 6.109 3.526 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.312 4.767 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.985 4.898 5.995 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.848 3.880 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.484 2.842 4.278 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.016 0.934 6.379 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.569 1.282 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.323 0.775 5.856 1.00 0.00 H new ATOM 342 N THR A 24 -10.053 7.247 4.989 1.00 0.00 N ATOM 343 CA THR A 24 -11.239 7.583 5.769 1.00 0.00 C ATOM 344 C THR A 24 -12.470 6.863 5.225 1.00 0.00 C ATOM 345 O THR A 24 -12.369 6.048 4.308 1.00 0.00 O ATOM 346 CB THR A 24 -11.469 9.096 5.758 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.923 9.677 4.588 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.860 9.802 6.949 1.00 0.00 C ATOM 0 H THR A 24 -10.025 7.670 4.061 1.00 0.00 H new ATOM 0 HA THR A 24 -11.075 7.256 6.796 1.00 0.00 H new ATOM 0 HB THR A 24 -12.551 9.225 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.081 10.644 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.060 10.871 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.298 9.410 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.783 9.634 6.960 1.00 0.00 H new ATOM 356 N ASP A 25 -13.631 7.170 5.795 1.00 0.00 N ATOM 357 CA ASP A 25 -14.881 6.552 5.367 1.00 0.00 C ATOM 358 C ASP A 25 -15.128 6.796 3.881 1.00 0.00 C ATOM 359 O ASP A 25 -15.709 5.958 3.192 1.00 0.00 O ATOM 360 CB ASP A 25 -16.051 7.098 6.187 1.00 0.00 C ATOM 361 CG ASP A 25 -16.224 8.595 6.021 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.244 9.267 5.638 1.00 0.00 O ATOM 363 OD2 ASP A 25 -17.341 9.095 6.274 1.00 0.00 O ATOM 0 H ASP A 25 -13.732 7.843 6.555 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.801 5.477 5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.969 6.593 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.892 6.868 7.240 1.00 0.00 H new ATOM 368 N ASP A 26 -14.683 7.950 3.395 1.00 0.00 N ATOM 369 CA ASP A 26 -14.853 8.304 1.991 1.00 0.00 C ATOM 370 C ASP A 26 -14.090 7.343 1.085 1.00 0.00 C ATOM 371 O ASP A 26 -14.426 7.181 -0.089 1.00 0.00 O ATOM 372 CB ASP A 26 -14.380 9.738 1.744 1.00 0.00 C ATOM 373 CG ASP A 26 -15.474 10.759 1.990 1.00 0.00 C ATOM 374 OD1 ASP A 26 -16.663 10.379 1.935 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.142 11.937 2.237 1.00 0.00 O ATOM 0 H ASP A 26 -14.202 8.656 3.953 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.914 8.230 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.532 9.955 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.026 9.829 0.717 1.00 0.00 H new ATOM 380 N ILE A 27 -13.060 6.704 1.636 1.00 0.00 N ATOM 381 CA ILE A 27 -12.252 5.761 0.881 1.00 0.00 C ATOM 382 C ILE A 27 -12.947 4.391 0.816 1.00 0.00 C ATOM 383 O ILE A 27 -13.345 3.851 1.848 1.00 0.00 O ATOM 384 CB ILE A 27 -10.858 5.618 1.528 1.00 0.00 C ATOM 385 CG1 ILE A 27 -10.100 6.944 1.436 1.00 0.00 C ATOM 386 CG2 ILE A 27 -10.057 4.502 0.870 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.922 7.444 0.018 1.00 0.00 C ATOM 0 H ILE A 27 -12.768 6.826 2.606 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.133 6.140 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.994 5.357 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.633 7.699 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.119 6.825 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.080 4.425 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.590 3.558 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.927 4.723 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.377 8.388 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.362 6.709 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.900 7.596 -0.440 1.00 0.00 H new ATOM 399 N ASP A 28 -13.109 3.833 -0.390 1.00 0.00 N ATOM 400 CA ASP A 28 -13.769 2.545 -0.549 1.00 0.00 C ATOM 401 C ASP A 28 -12.773 1.436 -0.865 1.00 0.00 C ATOM 402 O ASP A 28 -12.920 0.315 -0.380 1.00 0.00 O ATOM 403 CB ASP A 28 -14.822 2.626 -1.654 1.00 0.00 C ATOM 404 CG ASP A 28 -16.088 1.870 -1.302 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.958 2.453 -0.622 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.210 0.694 -1.708 1.00 0.00 O ATOM 0 H ASP A 28 -12.791 4.256 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.251 2.303 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.067 3.671 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.407 2.224 -2.578 1.00 0.00 H new ATOM 411 N GLU A 29 -11.758 1.735 -1.679 1.00 0.00 N ATOM 412 CA GLU A 29 -10.771 0.710 -2.022 1.00 0.00 C ATOM 413 C GLU A 29 -9.356 1.264 -2.084 1.00 0.00 C ATOM 414 O GLU A 29 -9.135 2.442 -2.365 1.00 0.00 O ATOM 415 CB GLU A 29 -11.119 0.022 -3.347 1.00 0.00 C ATOM 416 CG GLU A 29 -12.565 -0.418 -3.436 1.00 0.00 C ATOM 417 CD GLU A 29 -12.762 -1.596 -4.371 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.864 -1.851 -5.201 1.00 0.00 O ATOM 419 OE2 GLU A 29 -13.813 -2.263 -4.271 1.00 0.00 O ATOM 0 H GLU A 29 -11.600 2.650 -2.102 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.806 -0.027 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.904 0.704 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.474 -0.847 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.921 -0.686 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.175 0.418 -3.778 1.00 0.00 H new ATOM 426 N VAL A 30 -8.405 0.378 -1.822 1.00 0.00 N ATOM 427 CA VAL A 30 -6.988 0.718 -1.842 1.00 0.00 C ATOM 428 C VAL A 30 -6.170 -0.469 -2.345 1.00 0.00 C ATOM 429 O VAL A 30 -6.185 -1.539 -1.737 1.00 0.00 O ATOM 430 CB VAL A 30 -6.484 1.122 -0.443 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.041 1.600 -0.510 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.381 2.193 0.158 1.00 0.00 C ATOM 0 H VAL A 30 -8.594 -0.597 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.864 1.567 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.520 0.245 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.704 1.881 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.410 0.799 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.974 2.464 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.010 2.466 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.379 3.072 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.397 1.809 0.246 1.00 0.00 H new ATOM 442 N ARG A 31 -5.479 -0.289 -3.467 1.00 0.00 N ATOM 443 CA ARG A 31 -4.685 -1.370 -4.048 1.00 0.00 C ATOM 444 C ARG A 31 -3.191 -1.055 -4.041 1.00 0.00 C ATOM 445 O ARG A 31 -2.770 0.028 -4.442 1.00 0.00 O ATOM 446 CB ARG A 31 -5.140 -1.654 -5.486 1.00 0.00 C ATOM 447 CG ARG A 31 -6.589 -1.282 -5.761 1.00 0.00 C ATOM 448 CD ARG A 31 -7.118 -1.974 -7.007 1.00 0.00 C ATOM 449 NE ARG A 31 -6.231 -1.792 -8.153 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.603 -1.982 -9.417 1.00 0.00 C ATOM 451 NH1 ARG A 31 -7.844 -2.361 -9.700 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.735 -1.794 -10.400 1.00 0.00 N ATOM 0 H ARG A 31 -5.452 0.587 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.846 -2.252 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.498 -1.105 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.001 -2.714 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.204 -1.555 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.671 -0.202 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.238 -3.039 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.106 -1.582 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.270 -1.502 -7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.517 -2.508 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.125 -2.505 -10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.780 -1.503 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.021 -1.940 -11.368 1.00 0.00 H new ATOM 466 N TRP A 32 -2.398 -2.034 -3.612 1.00 0.00 N ATOM 467 CA TRP A 32 -0.945 -1.903 -3.579 1.00 0.00 C ATOM 468 C TRP A 32 -0.343 -2.822 -4.634 1.00 0.00 C ATOM 469 O TRP A 32 0.040 -3.955 -4.339 1.00 0.00 O ATOM 470 CB TRP A 32 -0.395 -2.271 -2.195 1.00 0.00 C ATOM 471 CG TRP A 32 -0.542 -1.186 -1.168 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.604 -0.979 -0.333 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.413 -0.164 -0.862 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.367 0.110 0.472 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.135 0.629 0.165 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.678 0.156 -1.358 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.541 1.724 0.703 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.348 1.242 -0.824 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.779 2.014 0.196 1.00 0.00 C ATOM 0 H TRP A 32 -2.742 -2.935 -3.280 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.676 -0.867 -3.787 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.906 -3.165 -1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.661 -2.525 -2.291 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.499 -1.583 -0.309 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.003 0.473 1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.125 -0.434 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.104 2.321 1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.327 1.499 -1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.328 2.856 0.591 1.00 0.00 H new ATOM 490 N GLU A 33 -0.292 -2.342 -5.873 1.00 0.00 N ATOM 491 CA GLU A 33 0.230 -3.145 -6.973 1.00 0.00 C ATOM 492 C GLU A 33 1.679 -2.807 -7.298 1.00 0.00 C ATOM 493 O GLU A 33 2.106 -1.658 -7.194 1.00 0.00 O ATOM 494 CB GLU A 33 -0.636 -2.958 -8.220 1.00 0.00 C ATOM 495 CG GLU A 33 -2.099 -3.308 -8.002 1.00 0.00 C ATOM 496 CD GLU A 33 -2.979 -2.875 -9.157 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.221 -1.658 -9.298 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.429 -3.754 -9.923 1.00 0.00 O ATOM 0 H GLU A 33 -0.603 -1.408 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 33 0.198 -4.187 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.564 -1.922 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.239 -3.577 -9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.194 -4.385 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.450 -2.834 -7.085 1.00 0.00 H new ATOM 505 N ARG A 34 2.419 -3.829 -7.711 1.00 0.00 N ATOM 506 CA ARG A 34 3.818 -3.678 -8.082 1.00 0.00 C ATOM 507 C ARG A 34 4.097 -4.473 -9.351 1.00 0.00 C ATOM 508 O ARG A 34 3.953 -5.698 -9.369 1.00 0.00 O ATOM 509 CB ARG A 34 4.729 -4.155 -6.949 1.00 0.00 C ATOM 510 CG ARG A 34 6.176 -3.718 -7.107 1.00 0.00 C ATOM 511 CD ARG A 34 7.136 -4.765 -6.566 1.00 0.00 C ATOM 512 NE ARG A 34 8.322 -4.907 -7.407 1.00 0.00 N ATOM 513 CZ ARG A 34 8.344 -5.595 -8.547 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.249 -6.204 -8.984 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.465 -5.673 -9.252 1.00 0.00 N ATOM 0 H ARG A 34 2.066 -4.782 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 34 4.024 -2.623 -8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.345 -3.776 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.690 -5.243 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.390 -3.537 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.332 -2.775 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.439 -4.491 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.624 -5.725 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 34 9.183 -4.453 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.384 -6.147 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.272 -6.729 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.309 -5.206 -8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.483 -6.200 -10.125 1.00 0.00 H new ATOM 529 N GLY A 35 4.473 -3.777 -10.418 1.00 0.00 N ATOM 530 CA GLY A 35 4.737 -4.453 -11.674 1.00 0.00 C ATOM 531 C GLY A 35 3.532 -5.230 -12.156 1.00 0.00 C ATOM 532 O GLY A 35 2.486 -4.653 -12.450 1.00 0.00 O ATOM 0 H GLY A 35 4.599 -2.765 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.023 -3.720 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.582 -5.131 -11.552 1.00 0.00 H new ATOM 536 N SER A 36 3.680 -6.542 -12.223 1.00 0.00 N ATOM 537 CA SER A 36 2.595 -7.414 -12.659 1.00 0.00 C ATOM 538 C SER A 36 2.183 -8.365 -11.538 1.00 0.00 C ATOM 539 O SER A 36 1.981 -9.558 -11.765 1.00 0.00 O ATOM 540 CB SER A 36 3.018 -8.212 -13.894 1.00 0.00 C ATOM 541 OG SER A 36 2.758 -7.488 -15.084 1.00 0.00 O ATOM 0 H SER A 36 4.542 -7.031 -11.981 1.00 0.00 H new ATOM 0 HA SER A 36 1.739 -6.790 -12.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.081 -8.447 -13.832 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.483 -9.161 -13.918 1.00 0.00 H new ATOM 0 HG SER A 36 3.039 -8.019 -15.858 1.00 0.00 H new ATOM 547 N THR A 37 2.070 -7.832 -10.323 1.00 0.00 N ATOM 548 CA THR A 37 1.692 -8.642 -9.167 1.00 0.00 C ATOM 549 C THR A 37 1.013 -7.793 -8.093 1.00 0.00 C ATOM 550 O THR A 37 1.176 -6.573 -8.057 1.00 0.00 O ATOM 551 CB THR A 37 2.936 -9.318 -8.584 1.00 0.00 C ATOM 552 OG1 THR A 37 3.526 -10.187 -9.534 1.00 0.00 O ATOM 553 CG2 THR A 37 2.660 -10.128 -7.334 1.00 0.00 C ATOM 0 H THR A 37 2.234 -6.847 -10.114 1.00 0.00 H new ATOM 0 HA THR A 37 0.982 -9.399 -9.498 1.00 0.00 H new ATOM 0 HB THR A 37 3.606 -8.499 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.320 -10.608 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.588 -10.577 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.253 -9.476 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.940 -10.915 -7.562 1.00 0.00 H new ATOM 561 N LEU A 38 0.272 -8.452 -7.205 1.00 0.00 N ATOM 562 CA LEU A 38 -0.409 -7.759 -6.112 1.00 0.00 C ATOM 563 C LEU A 38 0.367 -7.953 -4.821 1.00 0.00 C ATOM 564 O LEU A 38 0.979 -8.998 -4.604 1.00 0.00 O ATOM 565 CB LEU A 38 -1.839 -8.281 -5.914 1.00 0.00 C ATOM 566 CG LEU A 38 -2.959 -7.395 -6.467 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.309 -8.028 -6.172 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.878 -5.999 -5.866 1.00 0.00 C ATOM 0 H LEU A 38 0.128 -9.462 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.460 -6.702 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.914 -9.263 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.008 -8.423 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.841 -7.307 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.102 -7.394 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.361 -9.010 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.433 -8.135 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.681 -5.382 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.979 -6.063 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.916 -5.551 -6.115 1.00 0.00 H new ATOM 580 N VAL A 39 0.332 -6.948 -3.962 1.00 0.00 N ATOM 581 CA VAL A 39 1.026 -7.021 -2.691 1.00 0.00 C ATOM 582 C VAL A 39 0.033 -6.914 -1.541 1.00 0.00 C ATOM 583 O VAL A 39 0.120 -7.651 -0.557 1.00 0.00 O ATOM 584 CB VAL A 39 2.091 -5.910 -2.579 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.615 -5.802 -1.156 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.235 -6.175 -3.555 1.00 0.00 C ATOM 0 H VAL A 39 -0.169 -6.074 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 39 1.531 -7.985 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 39 1.624 -4.960 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.364 -5.012 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.791 -5.567 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.066 -6.750 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.980 -5.384 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.696 -7.135 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.847 -6.195 -4.573 1.00 0.00 H new ATOM 596 N ALA A 40 -0.919 -5.998 -1.678 1.00 0.00 N ATOM 597 CA ALA A 40 -1.937 -5.800 -0.655 1.00 0.00 C ATOM 598 C ALA A 40 -3.092 -4.947 -1.171 1.00 0.00 C ATOM 599 O ALA A 40 -2.935 -3.752 -1.421 1.00 0.00 O ATOM 600 CB ALA A 40 -1.327 -5.166 0.585 1.00 0.00 C ATOM 0 H ALA A 40 -1.006 -5.382 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.337 -6.779 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.101 -5.025 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.548 -5.818 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.894 -4.200 0.324 1.00 0.00 H new ATOM 606 N GLU A 41 -4.254 -5.570 -1.322 1.00 0.00 N ATOM 607 CA GLU A 41 -5.441 -4.869 -1.801 1.00 0.00 C ATOM 608 C GLU A 41 -6.542 -4.879 -0.747 1.00 0.00 C ATOM 609 O GLU A 41 -7.012 -5.938 -0.333 1.00 0.00 O ATOM 610 CB GLU A 41 -5.948 -5.500 -3.100 1.00 0.00 C ATOM 611 CG GLU A 41 -5.940 -4.540 -4.276 1.00 0.00 C ATOM 612 CD GLU A 41 -6.340 -5.207 -5.577 1.00 0.00 C ATOM 613 OE1 GLU A 41 -7.156 -6.152 -5.534 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.838 -4.785 -6.640 1.00 0.00 O ATOM 0 H GLU A 41 -4.401 -6.559 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.164 -3.833 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.330 -6.365 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.963 -5.867 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.622 -3.715 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.944 -4.111 -4.383 1.00 0.00 H new ATOM 621 N PHE A 42 -6.947 -3.689 -0.318 1.00 0.00 N ATOM 622 CA PHE A 42 -7.992 -3.552 0.687 1.00 0.00 C ATOM 623 C PHE A 42 -9.304 -3.110 0.047 1.00 0.00 C ATOM 624 O PHE A 42 -9.315 -2.538 -1.044 1.00 0.00 O ATOM 625 CB PHE A 42 -7.565 -2.548 1.761 1.00 0.00 C ATOM 626 CG PHE A 42 -8.646 -2.227 2.754 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.535 -1.192 2.517 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.774 -2.961 3.923 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.532 -0.893 3.426 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.768 -2.667 4.836 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.648 -1.632 4.588 1.00 0.00 C ATOM 0 H PHE A 42 -6.566 -2.804 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.148 -4.525 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.701 -2.945 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.244 -1.626 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.448 -0.611 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.089 -3.772 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.219 -0.083 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.857 -3.246 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.426 -1.401 5.301 1.00 0.00 H new ATOM 641 N LYS A 43 -10.408 -3.379 0.733 1.00 0.00 N ATOM 642 CA LYS A 43 -11.726 -3.011 0.234 1.00 0.00 C ATOM 643 C LYS A 43 -12.698 -2.771 1.386 1.00 0.00 C ATOM 644 O LYS A 43 -12.626 -3.435 2.420 1.00 0.00 O ATOM 645 CB LYS A 43 -12.267 -4.107 -0.687 1.00 0.00 C ATOM 646 CG LYS A 43 -13.251 -3.596 -1.727 1.00 0.00 C ATOM 647 CD LYS A 43 -13.421 -4.590 -2.865 1.00 0.00 C ATOM 648 CE LYS A 43 -12.193 -4.627 -3.761 1.00 0.00 C ATOM 649 NZ LYS A 43 -12.558 -4.780 -5.197 1.00 0.00 N ATOM 0 H LYS A 43 -10.416 -3.851 1.637 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.628 -2.084 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.431 -4.588 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.755 -4.871 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.217 -3.411 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.901 -2.643 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.605 -5.584 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.296 -4.321 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.619 -3.710 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.549 -5.453 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.697 -4.750 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.039 -5.691 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.193 -4.006 -5.478 1.00 0.00 H new ATOM 663 N ARG A 44 -13.606 -1.819 1.196 1.00 0.00 N ATOM 664 CA ARG A 44 -14.592 -1.489 2.210 1.00 0.00 C ATOM 665 C ARG A 44 -15.429 -2.700 2.556 1.00 0.00 C ATOM 666 O ARG A 44 -16.453 -2.984 1.934 1.00 0.00 O ATOM 667 CB ARG A 44 -15.493 -0.364 1.744 1.00 0.00 C ATOM 668 CG ARG A 44 -16.042 0.489 2.878 1.00 0.00 C ATOM 669 CD ARG A 44 -15.395 1.865 2.909 1.00 0.00 C ATOM 670 NE ARG A 44 -13.987 1.800 3.290 1.00 0.00 N ATOM 671 CZ ARG A 44 -13.563 1.668 4.545 1.00 0.00 C ATOM 672 NH1 ARG A 44 -14.437 1.580 5.542 1.00 0.00 N ATOM 673 NH2 ARG A 44 -12.264 1.621 4.806 1.00 0.00 N ATOM 0 H ARG A 44 -13.676 -1.262 0.344 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.054 -1.162 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.937 0.274 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.326 -0.786 1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.121 0.596 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.871 -0.015 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.484 2.329 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.932 2.502 3.612 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.287 1.859 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.438 1.613 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.107 1.479 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.588 1.686 4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.940 1.520 5.768 1.00 0.00 H new ATOM 687 N LYS A 45 -14.960 -3.404 3.554 1.00 0.00 N ATOM 688 CA LYS A 45 -15.610 -4.616 4.055 1.00 0.00 C ATOM 689 C LYS A 45 -15.250 -5.828 3.200 1.00 0.00 C ATOM 690 O LYS A 45 -14.901 -6.885 3.724 1.00 0.00 O ATOM 691 CB LYS A 45 -17.132 -4.443 4.099 1.00 0.00 C ATOM 692 CG LYS A 45 -17.783 -5.095 5.308 1.00 0.00 C ATOM 693 CD LYS A 45 -17.874 -6.603 5.145 1.00 0.00 C ATOM 694 CE LYS A 45 -17.819 -7.313 6.488 1.00 0.00 C ATOM 695 NZ LYS A 45 -16.656 -6.868 7.304 1.00 0.00 N ATOM 0 H LYS A 45 -14.107 -3.160 4.056 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.247 -4.786 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.369 -3.379 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.564 -4.866 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.209 -4.859 6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.782 -4.682 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.802 -6.859 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.056 -6.952 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.741 -7.123 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.759 -8.389 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.248 -7.685 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.936 -6.447 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.970 -6.160 7.999 1.00 0.00 H new ATOM 709 N MET A 46 -15.341 -5.670 1.883 1.00 0.00 N ATOM 710 CA MET A 46 -15.024 -6.758 0.958 1.00 0.00 C ATOM 711 C MET A 46 -13.681 -7.400 1.304 1.00 0.00 C ATOM 712 O MET A 46 -12.752 -6.722 1.740 1.00 0.00 O ATOM 713 CB MET A 46 -15.003 -6.247 -0.484 1.00 0.00 C ATOM 714 CG MET A 46 -16.366 -6.273 -1.158 1.00 0.00 C ATOM 715 SD MET A 46 -17.184 -4.667 -1.133 1.00 0.00 S ATOM 716 CE MET A 46 -18.520 -4.986 0.017 1.00 0.00 C ATOM 0 H MET A 46 -15.631 -4.803 1.431 1.00 0.00 H new ATOM 0 HA MET A 46 -15.802 -7.515 1.054 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.621 -5.226 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.308 -6.853 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.250 -6.601 -2.191 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.999 -7.007 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 46 -19.108 -4.078 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 46 -19.158 -5.777 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 46 -18.107 -5.297 0.977 1.00 0.00 H new ATOM 726 N LYS A 47 -13.592 -8.713 1.111 1.00 0.00 N ATOM 727 CA LYS A 47 -12.367 -9.452 1.406 1.00 0.00 C ATOM 728 C LYS A 47 -11.178 -8.888 0.628 1.00 0.00 C ATOM 729 O LYS A 47 -11.240 -8.743 -0.593 1.00 0.00 O ATOM 730 CB LYS A 47 -12.551 -10.933 1.072 1.00 0.00 C ATOM 731 CG LYS A 47 -13.161 -11.742 2.205 1.00 0.00 C ATOM 732 CD LYS A 47 -12.217 -11.837 3.393 1.00 0.00 C ATOM 733 CE LYS A 47 -12.970 -11.754 4.711 1.00 0.00 C ATOM 734 NZ LYS A 47 -13.219 -13.101 5.294 1.00 0.00 N ATOM 0 H LYS A 47 -14.354 -9.288 0.751 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.159 -9.345 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.186 -11.022 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.583 -11.361 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.098 -11.281 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.402 -12.744 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.665 -12.776 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.483 -11.033 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.399 -11.152 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.921 -11.245 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.735 -13.001 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.786 -13.667 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.311 -13.577 5.468 1.00 0.00 H new ATOM 748 N PRO A 48 -10.074 -8.559 1.326 1.00 0.00 N ATOM 749 CA PRO A 48 -8.874 -8.010 0.695 1.00 0.00 C ATOM 750 C PRO A 48 -7.955 -9.097 0.143 1.00 0.00 C ATOM 751 O PRO A 48 -8.338 -10.263 0.051 1.00 0.00 O ATOM 752 CB PRO A 48 -8.202 -7.275 1.849 1.00 0.00 C ATOM 753 CG PRO A 48 -8.556 -8.073 3.058 1.00 0.00 C ATOM 754 CD PRO A 48 -9.907 -8.692 2.787 1.00 0.00 C ATOM 0 HA PRO A 48 -9.105 -7.381 -0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.122 -7.222 1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.563 -6.250 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.808 -8.843 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.591 -7.439 3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.938 -9.736 3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.699 -8.174 3.328 1.00 0.00 H new ATOM 762 N PHE A 49 -6.737 -8.703 -0.220 1.00 0.00 N ATOM 763 CA PHE A 49 -5.758 -9.637 -0.764 1.00 0.00 C ATOM 764 C PHE A 49 -4.364 -9.364 -0.210 1.00 0.00 C ATOM 765 O PHE A 49 -3.693 -8.425 -0.636 1.00 0.00 O ATOM 766 CB PHE A 49 -5.720 -9.547 -2.290 1.00 0.00 C ATOM 767 CG PHE A 49 -4.610 -10.357 -2.908 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.774 -11.711 -3.151 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.396 -9.765 -3.230 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.752 -12.460 -3.702 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.372 -10.508 -3.783 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.549 -11.857 -4.019 1.00 0.00 C ATOM 0 H PHE A 49 -6.405 -7.741 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.064 -10.640 -0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.675 -9.887 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.605 -8.503 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.712 -12.187 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.251 -8.711 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.893 -13.515 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.433 -10.035 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.749 -12.440 -4.451 1.00 0.00 H new ATOM 782 N LEU A 50 -3.924 -10.200 0.722 1.00 0.00 N ATOM 783 CA LEU A 50 -2.604 -10.057 1.310 1.00 0.00 C ATOM 784 C LEU A 50 -1.626 -11.015 0.633 1.00 0.00 C ATOM 785 O LEU A 50 -1.716 -12.230 0.813 1.00 0.00 O ATOM 786 CB LEU A 50 -2.664 -10.338 2.813 1.00 0.00 C ATOM 787 CG LEU A 50 -2.805 -9.102 3.704 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.737 -9.491 5.172 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.728 -8.081 3.370 1.00 0.00 C ATOM 0 H LEU A 50 -4.465 -10.984 1.086 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.258 -9.034 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.504 -11.004 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.759 -10.873 3.102 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.779 -8.650 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.839 -8.599 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.545 -10.186 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.779 -9.967 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.842 -7.208 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.745 -8.523 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.824 -7.779 2.327 1.00 0.00 H new ATOM 801 N LYS A 51 -0.702 -10.467 -0.156 1.00 0.00 N ATOM 802 CA LYS A 51 0.282 -11.282 -0.869 1.00 0.00 C ATOM 803 C LYS A 51 0.876 -12.361 0.034 1.00 0.00 C ATOM 804 O LYS A 51 1.094 -13.493 -0.397 1.00 0.00 O ATOM 805 CB LYS A 51 1.396 -10.398 -1.428 1.00 0.00 C ATOM 806 CG LYS A 51 2.481 -11.171 -2.161 1.00 0.00 C ATOM 807 CD LYS A 51 3.652 -10.274 -2.530 1.00 0.00 C ATOM 808 CE LYS A 51 3.538 -9.770 -3.960 1.00 0.00 C ATOM 809 NZ LYS A 51 4.863 -9.724 -4.640 1.00 0.00 N ATOM 0 H LYS A 51 -0.614 -9.464 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.233 -11.778 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.960 -9.667 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.850 -9.840 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.832 -11.990 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.064 -11.617 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.692 -9.426 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.585 -10.824 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.864 -10.418 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.095 -8.774 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.742 -9.375 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.498 -9.086 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.275 -10.679 -4.663 1.00 0.00 H new ATOM 823 N SER A 52 1.136 -12.004 1.288 1.00 0.00 N ATOM 824 CA SER A 52 1.703 -12.949 2.244 1.00 0.00 C ATOM 825 C SER A 52 1.856 -12.312 3.622 1.00 0.00 C ATOM 826 O SER A 52 1.797 -11.091 3.764 1.00 0.00 O ATOM 827 CB SER A 52 3.061 -13.452 1.751 1.00 0.00 C ATOM 828 OG SER A 52 3.960 -12.376 1.543 1.00 0.00 O ATOM 0 H SER A 52 0.964 -11.072 1.665 1.00 0.00 H new ATOM 0 HA SER A 52 1.017 -13.792 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.481 -14.145 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.931 -14.006 0.821 1.00 0.00 H new ATOM 0 HG SER A 52 4.821 -12.725 1.230 1.00 0.00 H new ATOM 834 N GLY A 53 2.045 -13.152 4.636 1.00 0.00 N ATOM 835 CA GLY A 53 2.197 -12.651 5.999 1.00 0.00 C ATOM 836 C GLY A 53 3.333 -11.644 6.141 1.00 0.00 C ATOM 837 O GLY A 53 3.449 -10.990 7.178 1.00 0.00 O ATOM 0 H GLY A 53 2.096 -14.166 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.264 -12.184 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.377 -13.490 6.671 1.00 0.00 H new ATOM 841 N ALA A 54 4.185 -11.514 5.114 1.00 0.00 N ATOM 842 CA ALA A 54 5.303 -10.578 5.171 1.00 0.00 C ATOM 843 C ALA A 54 4.851 -9.128 5.015 1.00 0.00 C ATOM 844 O ALA A 54 5.672 -8.211 5.037 1.00 0.00 O ATOM 845 CB ALA A 54 6.335 -10.926 4.109 1.00 0.00 C ATOM 0 H ALA A 54 4.118 -12.042 4.244 1.00 0.00 H new ATOM 0 HA ALA A 54 5.755 -10.672 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.164 -10.220 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.707 -11.936 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.875 -10.871 3.123 1.00 0.00 H new ATOM 851 N PHE A 55 3.547 -8.922 4.863 1.00 0.00 N ATOM 852 CA PHE A 55 3.006 -7.577 4.710 1.00 0.00 C ATOM 853 C PHE A 55 1.834 -7.342 5.652 1.00 0.00 C ATOM 854 O PHE A 55 1.172 -8.282 6.092 1.00 0.00 O ATOM 855 CB PHE A 55 2.549 -7.338 3.271 1.00 0.00 C ATOM 856 CG PHE A 55 3.624 -7.571 2.253 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.613 -6.626 2.057 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.642 -8.726 1.489 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.606 -6.825 1.120 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.633 -8.933 0.548 1.00 0.00 C ATOM 861 CZ PHE A 55 5.616 -7.981 0.363 1.00 0.00 C ATOM 0 H PHE A 55 2.849 -9.665 4.843 1.00 0.00 H new ATOM 0 HA PHE A 55 3.804 -6.877 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.706 -7.993 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.189 -6.313 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.609 -5.720 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.874 -9.472 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.374 -6.079 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.639 -9.838 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.391 -8.140 -0.372 1.00 0.00 H new ATOM 871 N GLU A 56 1.583 -6.075 5.945 1.00 0.00 N ATOM 872 CA GLU A 56 0.488 -5.690 6.821 1.00 0.00 C ATOM 873 C GLU A 56 -0.026 -4.306 6.440 1.00 0.00 C ATOM 874 O GLU A 56 0.708 -3.320 6.510 1.00 0.00 O ATOM 875 CB GLU A 56 0.940 -5.701 8.283 1.00 0.00 C ATOM 876 CG GLU A 56 0.721 -7.034 8.977 1.00 0.00 C ATOM 877 CD GLU A 56 -0.530 -7.046 9.833 1.00 0.00 C ATOM 878 OE1 GLU A 56 -1.641 -7.070 9.262 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.400 -7.032 11.076 1.00 0.00 O ATOM 0 H GLU A 56 2.128 -5.291 5.586 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.320 -6.412 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.999 -5.446 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.402 -4.925 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.652 -7.823 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.586 -7.261 9.600 1.00 0.00 H new ATOM 886 N ILE A 57 -1.287 -4.244 6.026 1.00 0.00 N ATOM 887 CA ILE A 57 -1.893 -2.982 5.623 1.00 0.00 C ATOM 888 C ILE A 57 -2.239 -2.118 6.832 1.00 0.00 C ATOM 889 O ILE A 57 -3.282 -2.293 7.461 1.00 0.00 O ATOM 890 CB ILE A 57 -3.161 -3.209 4.772 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.695 -1.874 4.249 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.233 -3.943 5.570 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.542 -2.008 3.003 1.00 0.00 C ATOM 0 H ILE A 57 -1.907 -5.051 5.961 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.153 -2.459 5.017 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.893 -3.834 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.286 -1.397 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.854 -1.213 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.115 -4.089 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.849 -4.912 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.502 -3.353 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.886 -1.022 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.948 -2.456 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.403 -2.642 3.215 1.00 0.00 H new ATOM 905 N LEU A 58 -1.351 -1.180 7.152 1.00 0.00 N ATOM 906 CA LEU A 58 -1.553 -0.279 8.283 1.00 0.00 C ATOM 907 C LEU A 58 -2.965 0.304 8.279 1.00 0.00 C ATOM 908 O LEU A 58 -3.699 0.174 7.299 1.00 0.00 O ATOM 909 CB LEU A 58 -0.519 0.850 8.246 1.00 0.00 C ATOM 910 CG LEU A 58 0.472 0.869 9.412 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.054 -0.517 9.649 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.580 1.874 9.145 1.00 0.00 C ATOM 0 H LEU A 58 -0.482 -1.024 6.642 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.426 -0.854 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.043 0.775 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.047 1.803 8.224 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.063 1.171 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.756 -0.479 10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.250 -1.214 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.574 -0.852 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.278 1.877 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.109 1.598 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.149 2.868 9.028 1.00 0.00 H new ATOM 924 N ALA A 59 -3.339 0.943 9.382 1.00 0.00 N ATOM 925 CA ALA A 59 -4.663 1.543 9.509 1.00 0.00 C ATOM 926 C ALA A 59 -4.835 2.730 8.564 1.00 0.00 C ATOM 927 O ALA A 59 -5.955 3.080 8.194 1.00 0.00 O ATOM 928 CB ALA A 59 -4.908 1.974 10.948 1.00 0.00 C ATOM 0 H ALA A 59 -2.744 1.059 10.202 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.399 0.789 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.899 2.420 11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.845 1.105 11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.155 2.705 11.242 1.00 0.00 H new ATOM 934 N ASN A 60 -3.722 3.351 8.180 1.00 0.00 N ATOM 935 CA ASN A 60 -3.763 4.500 7.283 1.00 0.00 C ATOM 936 C ASN A 60 -3.511 4.081 5.837 1.00 0.00 C ATOM 937 O ASN A 60 -2.916 4.828 5.060 1.00 0.00 O ATOM 938 CB ASN A 60 -2.730 5.545 7.711 1.00 0.00 C ATOM 939 CG ASN A 60 -1.309 5.023 7.636 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.884 4.309 8.672 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.600 5.261 6.657 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.785 3.078 8.475 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.760 4.936 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.824 6.425 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.943 5.864 8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.968 5.814 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.355 4.905 6.620 1.00 0.00 H new ATOM 948 N GLY A 61 -3.968 2.883 5.480 1.00 0.00 N ATOM 949 CA GLY A 61 -3.783 2.391 4.126 1.00 0.00 C ATOM 950 C GLY A 61 -2.323 2.340 3.720 1.00 0.00 C ATOM 951 O GLY A 61 -1.986 2.569 2.559 1.00 0.00 O ATOM 0 H GLY A 61 -4.462 2.245 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.215 1.393 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.327 3.032 3.433 1.00 0.00 H new ATOM 955 N ASP A 62 -1.454 2.042 4.681 1.00 0.00 N ATOM 956 CA ASP A 62 -0.021 1.963 4.417 1.00 0.00 C ATOM 957 C ASP A 62 0.433 0.511 4.285 1.00 0.00 C ATOM 958 O ASP A 62 -0.287 -0.412 4.665 1.00 0.00 O ATOM 959 CB ASP A 62 0.768 2.656 5.533 1.00 0.00 C ATOM 960 CG ASP A 62 1.798 3.628 4.995 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.394 4.670 4.437 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.008 3.349 5.132 1.00 0.00 O ATOM 0 H ASP A 62 -1.716 1.851 5.648 1.00 0.00 H new ATOM 0 HA ASP A 62 0.174 2.473 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.077 3.188 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.267 1.903 6.143 1.00 0.00 H new ATOM 967 N LEU A 63 1.634 0.320 3.747 1.00 0.00 N ATOM 968 CA LEU A 63 2.192 -1.025 3.569 1.00 0.00 C ATOM 969 C LEU A 63 3.292 -1.286 4.591 1.00 0.00 C ATOM 970 O LEU A 63 4.290 -0.567 4.632 1.00 0.00 O ATOM 971 CB LEU A 63 2.762 -1.181 2.159 1.00 0.00 C ATOM 972 CG LEU A 63 3.012 -2.622 1.713 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.719 -3.278 1.258 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.047 -2.651 0.600 1.00 0.00 C ATOM 0 H LEU A 63 2.241 1.074 3.426 1.00 0.00 H new ATOM 0 HA LEU A 63 1.390 -1.748 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.076 -0.713 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.702 -0.632 2.102 1.00 0.00 H new ATOM 0 HG LEU A 63 3.395 -3.187 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.921 -4.302 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.005 -3.284 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.302 -2.719 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.218 -3.682 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.685 -2.071 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.981 -2.221 0.961 1.00 0.00 H new ATOM 986 N LYS A 64 3.112 -2.315 5.414 1.00 0.00 N ATOM 987 CA LYS A 64 4.103 -2.651 6.427 1.00 0.00 C ATOM 988 C LYS A 64 4.846 -3.933 6.061 1.00 0.00 C ATOM 989 O LYS A 64 4.270 -5.022 6.081 1.00 0.00 O ATOM 990 CB LYS A 64 3.434 -2.806 7.794 1.00 0.00 C ATOM 991 CG LYS A 64 4.260 -2.248 8.942 1.00 0.00 C ATOM 992 CD LYS A 64 5.139 -3.319 9.567 1.00 0.00 C ATOM 993 CE LYS A 64 4.405 -4.068 10.668 1.00 0.00 C ATOM 994 NZ LYS A 64 4.480 -3.355 11.971 1.00 0.00 N ATOM 0 H LYS A 64 2.295 -2.926 5.399 1.00 0.00 H new ATOM 0 HA LYS A 64 4.826 -1.837 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.467 -2.303 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.240 -3.863 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.883 -1.430 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.597 -1.832 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.460 -4.022 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.039 -2.860 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.360 -4.197 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.832 -5.065 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.967 -3.899 12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.475 -3.254 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.050 -2.413 11.876 1.00 0.00 H new ATOM 1008 N ILE A 65 6.128 -3.796 5.734 1.00 0.00 N ATOM 1009 CA ILE A 65 6.954 -4.944 5.370 1.00 0.00 C ATOM 1010 C ILE A 65 7.642 -5.519 6.609 1.00 0.00 C ATOM 1011 O ILE A 65 8.152 -4.771 7.445 1.00 0.00 O ATOM 1012 CB ILE A 65 8.023 -4.560 4.327 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.465 -3.509 3.353 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.505 -5.799 3.584 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.381 -3.208 2.184 1.00 0.00 C ATOM 0 H ILE A 65 6.618 -2.901 5.714 1.00 0.00 H new ATOM 0 HA ILE A 65 6.296 -5.695 4.933 1.00 0.00 H new ATOM 0 HB ILE A 65 8.878 -4.122 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.505 -3.856 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.275 -2.586 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.259 -5.513 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.938 -6.504 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.663 -6.268 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.918 -2.458 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.333 -2.830 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.552 -4.120 1.611 1.00 0.00 H new ATOM 1027 N LYS A 66 7.640 -6.844 6.737 1.00 0.00 N ATOM 1028 CA LYS A 66 8.251 -7.498 7.893 1.00 0.00 C ATOM 1029 C LYS A 66 9.764 -7.617 7.748 1.00 0.00 C ATOM 1030 O LYS A 66 10.516 -7.327 8.678 1.00 0.00 O ATOM 1031 CB LYS A 66 7.626 -8.882 8.114 1.00 0.00 C ATOM 1032 CG LYS A 66 8.194 -9.978 7.221 1.00 0.00 C ATOM 1033 CD LYS A 66 7.633 -11.342 7.590 1.00 0.00 C ATOM 1034 CE LYS A 66 8.582 -12.107 8.497 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.409 -11.732 9.928 1.00 0.00 N ATOM 0 H LYS A 66 7.225 -7.483 6.059 1.00 0.00 H new ATOM 0 HA LYS A 66 8.055 -6.873 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.768 -9.169 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.551 -8.813 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.962 -9.757 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.280 -9.994 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.672 -11.219 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.450 -11.919 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.412 -13.177 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.610 -11.912 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.863 -12.447 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.848 -10.805 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.395 -11.682 10.154 1.00 0.00 H new ATOM 1049 N ASN A 67 10.197 -8.049 6.578 1.00 0.00 N ATOM 1050 CA ASN A 67 11.613 -8.219 6.292 1.00 0.00 C ATOM 1051 C ASN A 67 11.904 -7.895 4.834 1.00 0.00 C ATOM 1052 O ASN A 67 11.454 -8.596 3.928 1.00 0.00 O ATOM 1053 CB ASN A 67 12.053 -9.650 6.613 1.00 0.00 C ATOM 1054 CG ASN A 67 13.022 -9.711 7.776 1.00 0.00 C ATOM 1055 OD1 ASN A 67 14.016 -10.437 7.736 1.00 0.00 O ATOM 1056 ND2 ASN A 67 12.737 -8.946 8.825 1.00 0.00 N ATOM 0 H ASN A 67 9.582 -8.291 5.801 1.00 0.00 H new ATOM 0 HA ASN A 67 12.177 -7.530 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.175 -10.254 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.520 -10.090 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.353 -8.946 9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.903 -8.359 8.817 1.00 0.00 H new ATOM 1063 N LEU A 68 12.651 -6.822 4.616 1.00 0.00 N ATOM 1064 CA LEU A 68 12.999 -6.388 3.276 1.00 0.00 C ATOM 1065 C LEU A 68 13.644 -7.510 2.476 1.00 0.00 C ATOM 1066 O LEU A 68 14.370 -8.343 3.021 1.00 0.00 O ATOM 1067 CB LEU A 68 13.931 -5.184 3.351 1.00 0.00 C ATOM 1068 CG LEU A 68 13.226 -3.867 3.657 1.00 0.00 C ATOM 1069 CD1 LEU A 68 14.088 -2.985 4.547 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.872 -3.145 2.371 1.00 0.00 C ATOM 0 H LEU A 68 13.029 -6.234 5.359 1.00 0.00 H new ATOM 0 HA LEU A 68 12.082 -6.103 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.683 -5.368 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.460 -5.088 2.403 1.00 0.00 H new ATOM 0 HG LEU A 68 12.304 -4.090 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.564 -2.051 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.289 -3.501 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.030 -2.769 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.369 -2.207 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.782 -2.938 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.210 -3.771 1.773 1.00 0.00 H new ATOM 1082 N THR A 69 13.367 -7.521 1.181 1.00 0.00 N ATOM 1083 CA THR A 69 13.909 -8.538 0.287 1.00 0.00 C ATOM 1084 C THR A 69 14.191 -7.957 -1.095 1.00 0.00 C ATOM 1085 O THR A 69 13.634 -6.927 -1.474 1.00 0.00 O ATOM 1086 CB THR A 69 12.940 -9.715 0.176 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.602 -9.258 0.081 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.018 -10.665 1.351 1.00 0.00 C ATOM 0 H THR A 69 12.768 -6.835 0.722 1.00 0.00 H new ATOM 0 HA THR A 69 14.851 -8.892 0.707 1.00 0.00 H new ATOM 0 HB THR A 69 13.238 -10.250 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.238 -9.492 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.305 -11.477 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.026 -11.074 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.779 -10.128 2.269 1.00 0.00 H new ATOM 1096 N ARG A 70 15.065 -8.625 -1.844 1.00 0.00 N ATOM 1097 CA ARG A 70 15.432 -8.175 -3.189 1.00 0.00 C ATOM 1098 C ARG A 70 14.196 -7.896 -4.040 1.00 0.00 C ATOM 1099 O ARG A 70 14.031 -6.796 -4.567 1.00 0.00 O ATOM 1100 CB ARG A 70 16.320 -9.215 -3.883 1.00 0.00 C ATOM 1101 CG ARG A 70 15.956 -10.657 -3.557 1.00 0.00 C ATOM 1102 CD ARG A 70 15.742 -11.480 -4.817 1.00 0.00 C ATOM 1103 NE ARG A 70 16.231 -12.848 -4.668 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.521 -13.169 -4.585 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.451 -12.224 -4.634 1.00 0.00 N ATOM 1106 NH2 ARG A 70 17.880 -14.438 -4.450 1.00 0.00 N ATOM 0 H ARG A 70 15.534 -9.480 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 70 15.990 -7.245 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 70 16.257 -9.070 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 70 17.357 -9.040 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.749 -11.106 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.050 -10.676 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.680 -11.500 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.252 -11.002 -5.653 1.00 0.00 H new ATOM 0 HE ARG A 70 15.545 -13.601 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.180 -11.246 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.437 -12.475 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.169 -15.168 -4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.868 -14.685 -4.386 1.00 0.00 H new ATOM 1120 N ASP A 71 13.330 -8.896 -4.169 1.00 0.00 N ATOM 1121 CA ASP A 71 12.113 -8.762 -4.949 1.00 0.00 C ATOM 1122 C ASP A 71 11.289 -7.557 -4.495 1.00 0.00 C ATOM 1123 O ASP A 71 10.478 -7.030 -5.257 1.00 0.00 O ATOM 1124 CB ASP A 71 11.285 -10.039 -4.826 1.00 0.00 C ATOM 1125 CG ASP A 71 11.194 -10.542 -3.398 1.00 0.00 C ATOM 1126 OD1 ASP A 71 10.421 -9.956 -2.611 1.00 0.00 O ATOM 1127 OD2 ASP A 71 11.894 -11.521 -3.067 1.00 0.00 O ATOM 0 H ASP A 71 13.453 -9.813 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 71 12.390 -8.602 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.280 -9.854 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.725 -10.815 -5.453 1.00 0.00 H new ATOM 1132 N ASP A 72 11.500 -7.124 -3.255 1.00 0.00 N ATOM 1133 CA ASP A 72 10.771 -5.981 -2.715 1.00 0.00 C ATOM 1134 C ASP A 72 11.317 -4.665 -3.267 1.00 0.00 C ATOM 1135 O ASP A 72 10.672 -3.622 -3.150 1.00 0.00 O ATOM 1136 CB ASP A 72 10.842 -5.979 -1.186 1.00 0.00 C ATOM 1137 CG ASP A 72 9.525 -5.586 -0.547 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.620 -6.445 -0.477 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.398 -4.421 -0.117 1.00 0.00 O ATOM 0 H ASP A 72 12.167 -7.545 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 72 9.730 -6.072 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.130 -6.971 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.620 -5.288 -0.862 1.00 0.00 H new ATOM 1144 N SER A 73 12.501 -4.715 -3.874 1.00 0.00 N ATOM 1145 CA SER A 73 13.116 -3.522 -4.444 1.00 0.00 C ATOM 1146 C SER A 73 12.497 -3.197 -5.799 1.00 0.00 C ATOM 1147 O SER A 73 12.550 -4.006 -6.724 1.00 0.00 O ATOM 1148 CB SER A 73 14.626 -3.720 -4.595 1.00 0.00 C ATOM 1149 OG SER A 73 15.304 -2.475 -4.613 1.00 0.00 O ATOM 0 H SER A 73 13.051 -5.567 -3.983 1.00 0.00 H new ATOM 0 HA SER A 73 12.935 -2.688 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.000 -4.330 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.834 -4.265 -5.516 1.00 0.00 H new ATOM 0 HG SER A 73 16.267 -2.628 -4.709 1.00 0.00 H new ATOM 1155 N GLY A 74 11.905 -2.011 -5.910 1.00 0.00 N ATOM 1156 CA GLY A 74 11.283 -1.614 -7.153 1.00 0.00 C ATOM 1157 C GLY A 74 10.348 -0.429 -6.973 1.00 0.00 C ATOM 1158 O GLY A 74 10.595 0.434 -6.134 1.00 0.00 O ATOM 0 H GLY A 74 11.847 -1.322 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.055 -1.359 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.725 -2.456 -7.564 1.00 0.00 H new ATOM 1162 N THR A 75 9.276 -0.378 -7.759 1.00 0.00 N ATOM 1163 CA THR A 75 8.314 0.721 -7.674 1.00 0.00 C ATOM 1164 C THR A 75 6.943 0.203 -7.239 1.00 0.00 C ATOM 1165 O THR A 75 6.429 -0.765 -7.800 1.00 0.00 O ATOM 1166 CB THR A 75 8.221 1.427 -9.033 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.272 2.365 -9.179 1.00 0.00 O ATOM 1168 CG2 THR A 75 6.919 2.165 -9.260 1.00 0.00 C ATOM 0 H THR A 75 9.050 -1.083 -8.461 1.00 0.00 H new ATOM 0 HA THR A 75 8.655 1.436 -6.925 1.00 0.00 H new ATOM 0 HB THR A 75 8.288 0.625 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.199 2.805 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.934 2.636 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.088 1.461 -9.208 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.796 2.930 -8.493 1.00 0.00 H new ATOM 1176 N TYR A 76 6.356 0.858 -6.242 1.00 0.00 N ATOM 1177 CA TYR A 76 5.042 0.469 -5.737 1.00 0.00 C ATOM 1178 C TYR A 76 3.984 1.473 -6.181 1.00 0.00 C ATOM 1179 O TYR A 76 4.159 2.681 -6.023 1.00 0.00 O ATOM 1180 CB TYR A 76 5.065 0.368 -4.209 1.00 0.00 C ATOM 1181 CG TYR A 76 5.852 -0.815 -3.690 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.237 -0.850 -3.791 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.210 -1.898 -3.099 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.959 -1.928 -3.318 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.928 -2.979 -2.623 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.301 -2.990 -2.735 1.00 0.00 C ATOM 1187 OH TYR A 76 8.017 -4.067 -2.259 1.00 0.00 O ATOM 0 H TYR A 76 6.769 1.661 -5.767 1.00 0.00 H new ATOM 0 HA TYR A 76 4.791 -0.509 -6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.490 1.284 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.041 0.301 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.758 -0.021 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.134 -1.894 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.035 -1.939 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.415 -3.812 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 76 8.631 -3.767 -1.557 1.00 0.00 H new ATOM 1197 N ASN A 77 2.894 0.969 -6.748 1.00 0.00 N ATOM 1198 CA ASN A 77 1.816 1.828 -7.228 1.00 0.00 C ATOM 1199 C ASN A 77 0.544 1.644 -6.406 1.00 0.00 C ATOM 1200 O ASN A 77 0.020 0.532 -6.296 1.00 0.00 O ATOM 1201 CB ASN A 77 1.524 1.527 -8.701 1.00 0.00 C ATOM 1202 CG ASN A 77 1.959 2.647 -9.626 1.00 0.00 C ATOM 1203 OD1 ASN A 77 1.999 3.812 -9.232 1.00 0.00 O ATOM 1204 ND2 ASN A 77 2.286 2.297 -10.867 1.00 0.00 N ATOM 0 H ASN A 77 2.733 -0.029 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 77 2.142 2.862 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.033 0.607 -8.987 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.455 1.352 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.585 3.007 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.238 1.318 -11.150 1.00 0.00 H new ATOM 1211 N VAL A 78 0.036 2.743 -5.846 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.190 2.690 -5.058 1.00 0.00 C ATOM 1213 C VAL A 78 -2.361 3.291 -5.827 1.00 0.00 C ATOM 1214 O VAL A 78 -2.248 4.376 -6.404 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.088 3.426 -3.701 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.857 2.653 -2.638 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.358 3.651 -3.272 1.00 0.00 C ATOM 0 H VAL A 78 0.452 3.671 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.352 1.630 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.534 4.413 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.783 3.175 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.905 2.577 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.435 1.653 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.377 4.171 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.862 2.690 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.870 4.254 -4.022 1.00 0.00 H new ATOM 1227 N THR A 79 -3.491 2.587 -5.811 1.00 0.00 N ATOM 1228 CA THR A 79 -4.698 3.049 -6.484 1.00 0.00 C ATOM 1229 C THR A 79 -5.828 3.204 -5.473 1.00 0.00 C ATOM 1230 O THR A 79 -6.499 2.234 -5.120 1.00 0.00 O ATOM 1231 CB THR A 79 -5.106 2.076 -7.595 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.083 1.124 -7.831 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.403 2.765 -8.909 1.00 0.00 C ATOM 0 H THR A 79 -3.594 1.690 -5.336 1.00 0.00 H new ATOM 0 HA THR A 79 -4.494 4.018 -6.940 1.00 0.00 H new ATOM 0 HB THR A 79 -6.017 1.595 -7.239 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.364 0.511 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.686 2.021 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.222 3.471 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.516 3.299 -9.248 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.024 4.429 -5.002 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.061 4.719 -4.018 1.00 0.00 C ATOM 1243 C VAL A 80 -8.394 5.019 -4.697 1.00 0.00 C ATOM 1244 O VAL A 80 -8.471 5.865 -5.586 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.659 5.914 -3.121 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.793 6.298 -2.182 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.393 5.604 -2.329 1.00 0.00 C ATOM 0 H VAL A 80 -5.476 5.241 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.173 3.831 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.454 6.762 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.484 7.140 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.669 6.579 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.040 5.450 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.134 6.461 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.564 4.734 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.575 5.395 -3.018 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.443 4.318 -4.270 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.775 4.516 -4.836 1.00 0.00 C ATOM 1259 C TYR A 81 -11.717 5.120 -3.812 1.00 0.00 C ATOM 1260 O TYR A 81 -11.568 4.914 -2.602 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.392 3.210 -5.329 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.771 2.625 -6.584 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -9.424 2.794 -6.886 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -11.552 1.897 -7.473 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -8.877 2.257 -8.036 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -11.012 1.357 -8.624 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.675 1.540 -8.901 1.00 0.00 C ATOM 1268 OH TYR A 81 -9.133 1.004 -10.047 1.00 0.00 O ATOM 0 H TYR A 81 -9.396 3.611 -3.537 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.645 5.193 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.320 2.471 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.453 3.377 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.795 3.354 -6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.601 1.751 -7.260 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.829 2.399 -8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.635 0.794 -9.303 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.749 0.339 -10.420 1.00 0.00 H new ATOM 1278 N SER A 82 -12.702 5.839 -4.327 1.00 0.00 N ATOM 1279 CA SER A 82 -13.714 6.494 -3.506 1.00 0.00 C ATOM 1280 C SER A 82 -14.939 5.606 -3.321 1.00 0.00 C ATOM 1281 O SER A 82 -15.023 4.515 -3.884 1.00 0.00 O ATOM 1282 CB SER A 82 -14.135 7.821 -4.140 1.00 0.00 C ATOM 1283 OG SER A 82 -13.579 7.976 -5.434 1.00 0.00 O ATOM 0 H SER A 82 -12.824 5.987 -5.329 1.00 0.00 H new ATOM 0 HA SER A 82 -13.274 6.682 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.222 7.868 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.816 8.647 -3.504 1.00 0.00 H new ATOM 0 HG SER A 82 -13.867 8.832 -5.814 1.00 0.00 H new ATOM 1289 N THR A 83 -15.889 6.091 -2.529 1.00 0.00 N ATOM 1290 CA THR A 83 -17.119 5.353 -2.264 1.00 0.00 C ATOM 1291 C THR A 83 -17.980 5.243 -3.521 1.00 0.00 C ATOM 1292 O THR A 83 -18.871 4.396 -3.599 1.00 0.00 O ATOM 1293 CB THR A 83 -17.914 6.035 -1.149 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.833 7.444 -1.263 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.440 5.659 0.239 1.00 0.00 C ATOM 0 H THR A 83 -15.831 6.994 -2.058 1.00 0.00 H new ATOM 0 HA THR A 83 -16.844 4.346 -1.949 1.00 0.00 H new ATOM 0 HB THR A 83 -18.940 5.688 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.349 7.861 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.045 6.177 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.537 4.582 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.395 5.947 0.357 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.713 6.102 -4.502 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.471 6.094 -5.749 1.00 0.00 C ATOM 1305 C ASN A 84 -17.835 5.165 -6.783 1.00 0.00 C ATOM 1306 O ASN A 84 -18.200 5.195 -7.959 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.570 7.512 -6.315 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.788 7.698 -7.197 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.905 7.860 -6.706 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.578 7.676 -8.508 1.00 0.00 N ATOM 0 H ASN A 84 -16.980 6.810 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.471 5.721 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.608 8.227 -5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.671 7.734 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.360 7.796 -9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.635 7.539 -8.871 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.886 4.341 -6.345 1.00 0.00 N ATOM 1318 CA GLY A 85 -16.228 3.423 -7.257 1.00 0.00 C ATOM 1319 C GLY A 85 -15.270 4.124 -8.200 1.00 0.00 C ATOM 1320 O GLY A 85 -14.986 3.627 -9.289 1.00 0.00 O ATOM 0 H GLY A 85 -16.563 4.293 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.683 2.674 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.982 2.892 -7.839 1.00 0.00 H new ATOM 1324 N THR A 86 -14.769 5.281 -7.780 1.00 0.00 N ATOM 1325 CA THR A 86 -13.834 6.051 -8.592 1.00 0.00 C ATOM 1326 C THR A 86 -12.412 5.886 -8.073 1.00 0.00 C ATOM 1327 O THR A 86 -12.149 5.035 -7.225 1.00 0.00 O ATOM 1328 CB THR A 86 -14.224 7.533 -8.595 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.446 7.735 -7.906 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.385 8.106 -9.987 1.00 0.00 C ATOM 0 H THR A 86 -14.995 5.706 -6.881 1.00 0.00 H new ATOM 0 HA THR A 86 -13.878 5.674 -9.614 1.00 0.00 H new ATOM 0 HB THR A 86 -13.401 8.047 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.266 7.868 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.661 9.158 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.444 8.013 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.165 7.560 -10.517 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.499 6.702 -8.586 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.102 6.645 -8.170 1.00 0.00 C ATOM 1340 C ARG A 87 -9.662 7.976 -7.566 1.00 0.00 C ATOM 1341 O ARG A 87 -9.351 8.925 -8.285 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.203 6.284 -9.356 1.00 0.00 C ATOM 1343 CG ARG A 87 -9.799 5.230 -10.275 1.00 0.00 C ATOM 1344 CD ARG A 87 -8.935 5.013 -11.507 1.00 0.00 C ATOM 1345 NE ARG A 87 -9.736 4.706 -12.690 1.00 0.00 N ATOM 1346 CZ ARG A 87 -10.273 3.513 -12.933 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -10.100 2.513 -12.078 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -10.989 3.320 -14.032 1.00 0.00 N ATOM 0 H ARG A 87 -11.700 7.411 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.008 5.871 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.000 7.185 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.245 5.925 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.904 4.290 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.800 5.536 -10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.340 5.907 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.236 4.198 -11.321 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.893 5.450 -13.370 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.553 2.657 -11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.514 1.601 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.128 4.086 -14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.401 2.406 -14.218 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.642 8.035 -6.237 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.246 9.245 -5.526 1.00 0.00 C ATOM 1364 C ILE A 88 -7.836 9.682 -5.912 1.00 0.00 C ATOM 1365 O ILE A 88 -7.638 10.784 -6.425 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.313 9.044 -3.996 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.748 8.742 -3.565 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.780 10.270 -3.262 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.700 9.898 -3.789 1.00 0.00 C ATOM 0 H ILE A 88 -9.896 7.256 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.951 10.024 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.683 8.194 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.109 7.872 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.754 8.476 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.838 10.104 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.742 10.442 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.379 11.142 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.700 9.614 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.363 10.763 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.724 10.150 -4.849 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.856 8.826 -5.646 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.469 9.151 -5.954 1.00 0.00 C ATOM 1383 C LEU A 89 -4.682 7.925 -6.414 1.00 0.00 C ATOM 1384 O LEU A 89 -4.827 6.831 -5.867 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.797 9.775 -4.723 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.274 9.606 -4.638 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.653 10.752 -3.854 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.922 8.267 -4.002 1.00 0.00 C ATOM 0 H LEU A 89 -6.994 7.909 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.470 9.866 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.027 10.840 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.243 9.339 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.867 9.624 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.573 10.615 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.877 11.696 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.064 10.767 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.838 8.163 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.340 8.221 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.335 7.458 -4.605 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.827 8.138 -7.407 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.974 7.086 -7.943 1.00 0.00 C ATOM 1402 C ASN A 90 -1.519 7.515 -7.804 1.00 0.00 C ATOM 1403 O ASN A 90 -1.073 8.442 -8.480 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.309 6.813 -9.411 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.466 5.698 -9.999 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.579 4.505 -9.427 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.721 5.908 -10.957 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.706 9.043 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.142 6.165 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.364 6.552 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.158 7.724 -9.991 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.666 6.841 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.159 5.149 -11.342 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.788 6.869 -6.902 1.00 0.00 N ATOM 1415 CA LYS A 91 0.606 7.236 -6.664 1.00 0.00 C ATOM 1416 C LYS A 91 1.573 6.093 -6.949 1.00 0.00 C ATOM 1417 O LYS A 91 1.191 4.923 -6.985 1.00 0.00 O ATOM 1418 CB LYS A 91 0.789 7.707 -5.220 1.00 0.00 C ATOM 1419 CG LYS A 91 0.011 8.966 -4.884 1.00 0.00 C ATOM 1420 CD LYS A 91 0.750 10.217 -5.333 1.00 0.00 C ATOM 1421 CE LYS A 91 0.364 10.617 -6.749 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.450 10.327 -7.725 1.00 0.00 N ATOM 0 H LYS A 91 -1.131 6.098 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 91 0.839 8.045 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.480 6.909 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.849 7.886 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.967 8.929 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.162 9.011 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.528 11.037 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.825 10.043 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.540 10.083 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.128 11.681 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.909 11.216 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.153 9.699 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.048 9.863 -8.564 1.00 0.00 H new ATOM 1436 N ALA A 92 2.838 6.461 -7.139 1.00 0.00 N ATOM 1437 CA ALA A 92 3.899 5.502 -7.409 1.00 0.00 C ATOM 1438 C ALA A 92 5.163 5.888 -6.647 1.00 0.00 C ATOM 1439 O ALA A 92 5.676 6.996 -6.801 1.00 0.00 O ATOM 1440 CB ALA A 92 4.181 5.438 -8.898 1.00 0.00 C ATOM 0 H ALA A 92 3.153 7.431 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 92 3.576 4.517 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.977 4.717 -9.087 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.279 5.130 -9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.491 6.421 -9.252 1.00 0.00 H new ATOM 1446 N LEU A 93 5.655 4.975 -5.817 1.00 0.00 N ATOM 1447 CA LEU A 93 6.853 5.235 -5.026 1.00 0.00 C ATOM 1448 C LEU A 93 7.960 4.240 -5.357 1.00 0.00 C ATOM 1449 O LEU A 93 7.705 3.176 -5.921 1.00 0.00 O ATOM 1450 CB LEU A 93 6.531 5.166 -3.530 1.00 0.00 C ATOM 1451 CG LEU A 93 5.139 5.664 -3.136 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.080 4.635 -3.498 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.091 5.979 -1.649 1.00 0.00 C ATOM 0 H LEU A 93 5.245 4.052 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 93 7.202 6.237 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.636 4.132 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.275 5.750 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 93 4.930 6.579 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.097 5.008 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.099 4.456 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.283 3.703 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.094 6.332 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.321 5.079 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.823 6.752 -1.417 1.00 0.00 H new ATOM 1465 N ASP A 94 9.188 4.591 -4.991 1.00 0.00 N ATOM 1466 CA ASP A 94 10.336 3.728 -5.236 1.00 0.00 C ATOM 1467 C ASP A 94 10.828 3.120 -3.928 1.00 0.00 C ATOM 1468 O ASP A 94 10.749 3.749 -2.873 1.00 0.00 O ATOM 1469 CB ASP A 94 11.464 4.517 -5.905 1.00 0.00 C ATOM 1470 CG ASP A 94 11.432 4.402 -7.416 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.690 5.176 -8.056 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.149 3.537 -7.962 1.00 0.00 O ATOM 0 H ASP A 94 9.413 5.469 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 94 10.028 2.924 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.387 5.567 -5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.424 4.157 -5.536 1.00 0.00 H new ATOM 1477 N LEU A 95 11.323 1.892 -3.995 1.00 0.00 N ATOM 1478 CA LEU A 95 11.813 1.208 -2.808 1.00 0.00 C ATOM 1479 C LEU A 95 13.134 0.495 -3.087 1.00 0.00 C ATOM 1480 O LEU A 95 13.193 -0.403 -3.929 1.00 0.00 O ATOM 1481 CB LEU A 95 10.778 0.189 -2.328 1.00 0.00 C ATOM 1482 CG LEU A 95 10.561 0.145 -0.817 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.594 -0.969 -0.446 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.887 -0.034 -0.094 1.00 0.00 C ATOM 0 H LEU A 95 11.396 1.351 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 95 11.980 1.957 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.825 0.409 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.084 -0.802 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 95 10.124 1.094 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.453 -0.983 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.635 -0.796 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.000 -1.927 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.714 -0.063 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.352 -0.967 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.547 0.800 -0.333 1.00 0.00 H new ATOM 1496 N ARG A 96 14.188 0.885 -2.370 1.00 0.00 N ATOM 1497 CA ARG A 96 15.497 0.259 -2.543 1.00 0.00 C ATOM 1498 C ARG A 96 15.975 -0.380 -1.242 1.00 0.00 C ATOM 1499 O ARG A 96 16.051 0.274 -0.194 1.00 0.00 O ATOM 1500 CB ARG A 96 16.538 1.265 -3.051 1.00 0.00 C ATOM 1501 CG ARG A 96 16.249 2.715 -2.679 1.00 0.00 C ATOM 1502 CD ARG A 96 17.198 3.695 -3.372 1.00 0.00 C ATOM 1503 NE ARG A 96 18.297 3.027 -4.074 1.00 0.00 N ATOM 1504 CZ ARG A 96 18.819 3.455 -5.223 1.00 0.00 C ATOM 1505 NH1 ARG A 96 18.363 4.559 -5.803 1.00 0.00 N ATOM 1506 NH2 ARG A 96 19.808 2.779 -5.790 1.00 0.00 N ATOM 0 H ARG A 96 14.161 1.626 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 96 15.384 -0.523 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.515 0.989 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.601 1.187 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.221 2.958 -2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.333 2.834 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.633 4.298 -4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 96 17.610 4.379 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 96 18.687 2.182 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.606 5.088 -5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.769 4.878 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 96 20.168 1.934 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 96 20.210 3.104 -6.669 1.00 0.00 H new ATOM 1520 N ILE A 97 16.287 -1.671 -1.321 1.00 0.00 N ATOM 1521 CA ILE A 97 16.745 -2.425 -0.162 1.00 0.00 C ATOM 1522 C ILE A 97 18.252 -2.655 -0.196 1.00 0.00 C ATOM 1523 O ILE A 97 18.744 -3.511 -0.931 1.00 0.00 O ATOM 1524 CB ILE A 97 16.045 -3.794 -0.078 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.529 -3.623 -0.161 1.00 0.00 C ATOM 1526 CG2 ILE A 97 16.438 -4.513 1.205 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.967 -3.875 -1.542 1.00 0.00 C ATOM 0 H ILE A 97 16.230 -2.217 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 97 16.494 -1.826 0.713 1.00 0.00 H new ATOM 0 HB ILE A 97 16.367 -4.403 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.055 -4.305 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.268 -2.611 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.935 -5.479 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.517 -4.665 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 97 16.144 -3.911 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.886 -3.736 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.413 -3.176 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.197 -4.896 -1.848 1.00 0.00 H new ATOM 1539 N LEU A 98 18.976 -1.897 0.617 1.00 0.00 N ATOM 1540 CA LEU A 98 20.408 -2.020 0.704 1.00 0.00 C ATOM 1541 C LEU A 98 20.789 -3.388 1.257 1.00 0.00 C ATOM 1542 O LEU A 98 20.322 -3.794 2.325 1.00 0.00 O ATOM 1543 CB LEU A 98 20.943 -0.913 1.603 1.00 0.00 C ATOM 1544 CG LEU A 98 21.462 0.320 0.867 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.811 1.424 1.853 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.667 -0.035 0.008 1.00 0.00 C ATOM 0 H LEU A 98 18.580 -1.184 1.229 1.00 0.00 H new ATOM 0 HA LEU A 98 20.846 -1.925 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.151 -0.604 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.749 -1.319 2.214 1.00 0.00 H new ATOM 0 HG LEU A 98 20.672 0.685 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.179 2.294 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 98 20.922 1.700 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.583 1.070 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.022 0.857 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.462 -0.428 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.381 -0.789 -0.726 1.00 0.00 H new ATOM 1558 N GLU A 99 21.629 -4.094 0.517 1.00 0.00 N ATOM 1559 CA GLU A 99 22.079 -5.421 0.918 1.00 0.00 C ATOM 1560 C GLU A 99 22.915 -5.352 2.193 1.00 0.00 C ATOM 1561 O GLU A 99 22.424 -5.808 3.247 1.00 0.00 O ATOM 1562 CB GLU A 99 22.892 -6.068 -0.204 1.00 0.00 C ATOM 1563 CG GLU A 99 22.095 -6.296 -1.479 1.00 0.00 C ATOM 1564 CD GLU A 99 22.477 -7.583 -2.183 1.00 0.00 C ATOM 1565 OE1 GLU A 99 23.642 -7.699 -2.616 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.611 -8.475 -2.302 1.00 0.00 O ATOM 1567 OXT GLU A 99 24.053 -4.843 2.125 1.00 0.00 O ATOM 0 H GLU A 99 22.016 -3.770 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 99 21.197 -6.030 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.751 -5.436 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 99 23.283 -7.023 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 99 21.032 -6.319 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 99 22.251 -5.456 -2.156 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.088 4.634 7.153 1.00 0.00 CA