USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -94:sc= 0.11 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.15! C(o=-4.1!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -164:sc= 0 (180deg=-0.0364) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 0.423 (180deg=0.349) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.00408 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.12! C(o=-4.8!,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 73 SER OG : rot 180:sc= 0.352 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 83:sc= -0.379 USER MOD Single : A 77 ASN : amide:sc= -4.24! C(o=-4.2!,f=-6.7!) USER MOD Single : A 79 THR OG1 : rot 154:sc= 0.0539 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.33 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -4.56 K(o=-4.6,f=-10!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.694 13.990 -8.213 1.00 0.00 N ATOM 2 CA ARG A 1 10.794 14.879 -8.993 1.00 0.00 C ATOM 3 C ARG A 1 9.653 14.089 -9.626 1.00 0.00 C ATOM 4 O ARG A 1 8.484 14.450 -9.489 1.00 0.00 O ATOM 5 CB ARG A 1 11.618 15.575 -10.077 1.00 0.00 C ATOM 6 CG ARG A 1 10.851 16.654 -10.826 1.00 0.00 C ATOM 7 CD ARG A 1 11.013 18.012 -10.164 1.00 0.00 C ATOM 8 NE ARG A 1 10.173 19.031 -10.791 1.00 0.00 N ATOM 9 CZ ARG A 1 8.865 19.150 -10.573 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.245 18.319 -9.745 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.177 20.105 -11.185 1.00 0.00 N ATOM 0 H1 ARG A 1 12.461 14.554 -7.794 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.152 13.525 -7.456 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.099 13.268 -8.842 1.00 0.00 H new ATOM 0 HA ARG A 1 10.351 15.617 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.502 16.020 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.969 14.829 -10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.205 16.705 -11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.794 16.390 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.759 17.933 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.057 18.319 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 1 10.615 19.689 -11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.771 17.584 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.243 18.415 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.650 20.747 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.175 20.198 -11.019 1.00 0.00 H new ATOM 27 N ASP A 2 10.000 13.008 -10.317 1.00 0.00 N ATOM 28 CA ASP A 2 9.005 12.166 -10.972 1.00 0.00 C ATOM 29 C ASP A 2 8.217 11.357 -9.946 1.00 0.00 C ATOM 30 O ASP A 2 7.003 11.509 -9.820 1.00 0.00 O ATOM 31 CB ASP A 2 9.679 11.227 -11.972 1.00 0.00 C ATOM 32 CG ASP A 2 10.076 11.933 -13.252 1.00 0.00 C ATOM 33 OD1 ASP A 2 10.751 12.981 -13.168 1.00 0.00 O ATOM 34 OD2 ASP A 2 9.714 11.440 -14.341 1.00 0.00 O ATOM 0 H ASP A 2 10.963 12.694 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 2 8.311 12.815 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.565 10.788 -11.513 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.002 10.406 -12.208 1.00 0.00 H new ATOM 39 N SER A 3 8.919 10.497 -9.215 1.00 0.00 N ATOM 40 CA SER A 3 8.286 9.664 -8.199 1.00 0.00 C ATOM 41 C SER A 3 9.066 9.715 -6.890 1.00 0.00 C ATOM 42 O SER A 3 10.222 10.137 -6.859 1.00 0.00 O ATOM 43 CB SER A 3 8.183 8.217 -8.688 1.00 0.00 C ATOM 44 OG SER A 3 6.997 8.014 -9.435 1.00 0.00 O ATOM 0 H SER A 3 9.925 10.359 -9.307 1.00 0.00 H new ATOM 0 HA SER A 3 7.284 10.053 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.050 7.975 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.199 7.539 -7.834 1.00 0.00 H new ATOM 0 HG SER A 3 6.291 7.678 -8.844 1.00 0.00 H new ATOM 50 N GLY A 4 8.426 9.283 -5.808 1.00 0.00 N ATOM 51 CA GLY A 4 9.074 9.290 -4.510 1.00 0.00 C ATOM 52 C GLY A 4 10.098 8.180 -4.368 1.00 0.00 C ATOM 53 O GLY A 4 10.099 7.226 -5.144 1.00 0.00 O ATOM 0 H GLY A 4 7.470 8.928 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.562 10.252 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.320 9.187 -3.730 1.00 0.00 H new ATOM 57 N THR A 5 10.972 8.309 -3.376 1.00 0.00 N ATOM 58 CA THR A 5 12.009 7.312 -3.134 1.00 0.00 C ATOM 59 C THR A 5 12.176 7.052 -1.650 1.00 0.00 C ATOM 60 O THR A 5 11.860 7.899 -0.813 1.00 0.00 O ATOM 61 CB THR A 5 13.336 7.773 -3.734 1.00 0.00 C ATOM 62 OG1 THR A 5 13.136 8.362 -5.006 1.00 0.00 O ATOM 63 CG2 THR A 5 14.338 6.652 -3.900 1.00 0.00 C ATOM 0 H THR A 5 10.983 9.095 -2.726 1.00 0.00 H new ATOM 0 HA THR A 5 11.703 6.383 -3.614 1.00 0.00 H new ATOM 0 HB THR A 5 13.737 8.496 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.998 8.652 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.258 7.047 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.553 6.210 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.926 5.890 -4.562 1.00 0.00 H new ATOM 71 N VAL A 6 12.666 5.866 -1.335 1.00 0.00 N ATOM 72 CA VAL A 6 12.874 5.463 0.041 1.00 0.00 C ATOM 73 C VAL A 6 14.083 4.539 0.154 1.00 0.00 C ATOM 74 O VAL A 6 14.394 3.796 -0.777 1.00 0.00 O ATOM 75 CB VAL A 6 11.626 4.744 0.584 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.733 3.273 0.317 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.420 5.021 2.068 1.00 0.00 C ATOM 0 H VAL A 6 12.929 5.160 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 6 13.057 6.361 0.632 1.00 0.00 H new ATOM 0 HB VAL A 6 10.750 5.134 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.848 2.768 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.809 3.103 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.621 2.877 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.530 4.497 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.288 4.672 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.294 6.092 2.224 1.00 0.00 H new ATOM 87 N TRP A 7 14.753 4.580 1.296 1.00 0.00 N ATOM 88 CA TRP A 7 15.918 3.735 1.516 1.00 0.00 C ATOM 89 C TRP A 7 15.691 2.793 2.689 1.00 0.00 C ATOM 90 O TRP A 7 15.263 3.213 3.764 1.00 0.00 O ATOM 91 CB TRP A 7 17.156 4.600 1.749 1.00 0.00 C ATOM 92 CG TRP A 7 17.452 5.510 0.598 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.909 6.740 0.363 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.355 5.256 -0.484 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.419 7.267 -0.799 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.310 6.376 -1.336 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.197 4.192 -0.812 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.076 6.459 -2.496 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.958 4.275 -1.963 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.894 5.402 -2.792 1.00 0.00 C ATOM 0 H TRP A 7 14.512 5.185 2.081 1.00 0.00 H new ATOM 0 HA TRP A 7 16.079 3.127 0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.013 5.196 2.650 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.016 3.955 1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.184 7.228 0.998 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.174 8.174 -1.197 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.253 3.320 -0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.027 7.326 -3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.612 3.458 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.503 5.438 -3.683 1.00 0.00 H new ATOM 111 N GLY A 8 15.981 1.514 2.475 1.00 0.00 N ATOM 112 CA GLY A 8 15.798 0.527 3.534 1.00 0.00 C ATOM 113 C GLY A 8 16.876 -0.538 3.527 1.00 0.00 C ATOM 114 O GLY A 8 17.794 -0.490 2.709 1.00 0.00 O ATOM 0 H GLY A 8 16.337 1.141 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.796 1.032 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.823 0.053 3.420 1.00 0.00 H new ATOM 118 N ALA A 9 16.774 -1.500 4.441 1.00 0.00 N ATOM 119 CA ALA A 9 17.760 -2.572 4.524 1.00 0.00 C ATOM 120 C ALA A 9 17.095 -3.940 4.477 1.00 0.00 C ATOM 121 O ALA A 9 16.115 -4.193 5.175 1.00 0.00 O ATOM 122 CB ALA A 9 18.592 -2.439 5.786 1.00 0.00 C ATOM 0 H ALA A 9 16.024 -1.559 5.130 1.00 0.00 H new ATOM 0 HA ALA A 9 18.417 -2.483 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.321 -3.248 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.113 -1.481 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.941 -2.492 6.658 1.00 0.00 H new ATOM 128 N LEU A 10 17.643 -4.822 3.653 1.00 0.00 N ATOM 129 CA LEU A 10 17.108 -6.173 3.512 1.00 0.00 C ATOM 130 C LEU A 10 17.042 -6.874 4.862 1.00 0.00 C ATOM 131 O LEU A 10 18.009 -6.874 5.623 1.00 0.00 O ATOM 132 CB LEU A 10 17.977 -6.980 2.544 1.00 0.00 C ATOM 133 CG LEU A 10 17.338 -8.254 1.980 1.00 0.00 C ATOM 134 CD1 LEU A 10 17.027 -8.084 0.502 1.00 0.00 C ATOM 135 CD2 LEU A 10 18.253 -9.448 2.198 1.00 0.00 C ATOM 0 H LEU A 10 18.458 -4.628 3.071 1.00 0.00 H new ATOM 0 HA LEU A 10 16.096 -6.102 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.254 -6.335 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.900 -7.254 3.056 1.00 0.00 H new ATOM 0 HG LEU A 10 16.403 -8.435 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.574 -8.998 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.335 -7.252 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.949 -7.880 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.784 -10.344 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.203 -9.275 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.428 -9.582 3.265 1.00 0.00 H new ATOM 147 N GLY A 11 15.890 -7.463 5.155 1.00 0.00 N ATOM 148 CA GLY A 11 15.713 -8.153 6.415 1.00 0.00 C ATOM 149 C GLY A 11 15.195 -7.238 7.509 1.00 0.00 C ATOM 150 O GLY A 11 14.879 -7.696 8.607 1.00 0.00 O ATOM 0 H GLY A 11 15.075 -7.475 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.017 -8.981 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.664 -8.584 6.726 1.00 0.00 H new ATOM 154 N HIS A 12 15.105 -5.942 7.214 1.00 0.00 N ATOM 155 CA HIS A 12 14.622 -4.976 8.183 1.00 0.00 C ATOM 156 C HIS A 12 13.227 -4.495 7.784 1.00 0.00 C ATOM 157 O HIS A 12 12.767 -4.757 6.670 1.00 0.00 O ATOM 158 CB HIS A 12 15.628 -3.818 8.285 1.00 0.00 C ATOM 159 CG HIS A 12 15.025 -2.466 8.481 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.679 -1.658 7.429 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.736 -1.771 9.605 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.205 -0.512 7.891 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.227 -0.557 9.211 1.00 0.00 N ATOM 0 H HIS A 12 15.361 -5.543 6.311 1.00 0.00 H new ATOM 0 HA HIS A 12 14.537 -5.435 9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.306 -4.019 9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.231 -3.801 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.879 -2.107 10.621 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.860 0.317 7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.917 0.187 9.836 1.00 0.00 H new ATOM 172 N GLY A 13 12.553 -3.806 8.699 1.00 0.00 N ATOM 173 CA GLY A 13 11.212 -3.317 8.419 1.00 0.00 C ATOM 174 C GLY A 13 11.203 -2.189 7.407 1.00 0.00 C ATOM 175 O GLY A 13 12.232 -1.872 6.821 1.00 0.00 O ATOM 0 H GLY A 13 12.909 -3.577 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.600 -4.139 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.754 -2.972 9.346 1.00 0.00 H new ATOM 179 N ILE A 14 10.030 -1.588 7.205 1.00 0.00 N ATOM 180 CA ILE A 14 9.867 -0.483 6.260 1.00 0.00 C ATOM 181 C ILE A 14 8.388 -0.276 5.934 1.00 0.00 C ATOM 182 O ILE A 14 7.647 -1.241 5.719 1.00 0.00 O ATOM 183 CB ILE A 14 10.658 -0.710 4.950 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.567 0.517 4.041 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.159 -1.949 4.229 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.805 1.387 4.088 1.00 0.00 C ATOM 0 H ILE A 14 9.171 -1.851 7.688 1.00 0.00 H new ATOM 0 HA ILE A 14 10.268 0.409 6.742 1.00 0.00 H new ATOM 0 HB ILE A 14 11.705 -0.864 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.400 0.189 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.701 1.112 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.729 -2.090 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.286 -2.820 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.103 -1.828 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.676 2.240 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.961 1.743 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.671 0.806 3.770 1.00 0.00 H new ATOM 198 N ASP A 15 7.958 0.982 5.917 1.00 0.00 N ATOM 199 CA ASP A 15 6.564 1.307 5.635 1.00 0.00 C ATOM 200 C ASP A 15 6.439 2.230 4.426 1.00 0.00 C ATOM 201 O ASP A 15 6.995 3.328 4.408 1.00 0.00 O ATOM 202 CB ASP A 15 5.921 1.965 6.858 1.00 0.00 C ATOM 203 CG ASP A 15 4.474 1.556 7.045 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.181 0.347 6.947 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.632 2.446 7.291 1.00 0.00 O ATOM 0 H ASP A 15 8.553 1.791 6.095 1.00 0.00 H new ATOM 0 HA ASP A 15 6.044 0.377 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.488 1.699 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.978 3.049 6.755 1.00 0.00 H new ATOM 210 N LEU A 16 5.688 1.780 3.424 1.00 0.00 N ATOM 211 CA LEU A 16 5.468 2.566 2.213 1.00 0.00 C ATOM 212 C LEU A 16 4.426 3.651 2.483 1.00 0.00 C ATOM 213 O LEU A 16 3.244 3.354 2.652 1.00 0.00 O ATOM 214 CB LEU A 16 4.988 1.653 1.070 1.00 0.00 C ATOM 215 CG LEU A 16 5.929 1.455 -0.141 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.263 2.173 0.019 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.162 -0.029 -0.387 1.00 0.00 C ATOM 0 H LEU A 16 5.221 0.873 3.427 1.00 0.00 H new ATOM 0 HA LEU A 16 6.407 3.035 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.776 0.671 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.044 2.051 0.698 1.00 0.00 H new ATOM 0 HG LEU A 16 5.431 1.900 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.879 1.996 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.089 3.243 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.776 1.794 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.826 -0.156 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.618 -0.477 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.209 -0.518 -0.591 1.00 0.00 H new ATOM 229 N ASP A 17 4.869 4.903 2.537 1.00 0.00 N ATOM 230 CA ASP A 17 3.963 6.016 2.806 1.00 0.00 C ATOM 231 C ASP A 17 3.436 6.646 1.521 1.00 0.00 C ATOM 232 O ASP A 17 4.204 7.098 0.671 1.00 0.00 O ATOM 233 CB ASP A 17 4.660 7.079 3.652 1.00 0.00 C ATOM 234 CG ASP A 17 5.098 6.549 5.003 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.248 5.981 5.721 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.289 6.702 5.344 1.00 0.00 O ATOM 0 H ASP A 17 5.843 5.172 2.399 1.00 0.00 H new ATOM 0 HA ASP A 17 3.113 5.613 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.530 7.455 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.986 7.923 3.797 1.00 0.00 H new ATOM 241 N ILE A 18 2.114 6.677 1.398 1.00 0.00 N ATOM 242 CA ILE A 18 1.452 7.255 0.236 1.00 0.00 C ATOM 243 C ILE A 18 1.404 8.781 0.327 1.00 0.00 C ATOM 244 O ILE A 18 0.824 9.332 1.263 1.00 0.00 O ATOM 245 CB ILE A 18 0.013 6.721 0.112 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.028 5.195 0.045 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.683 7.310 -1.110 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.195 4.613 -0.624 1.00 0.00 C ATOM 0 H ILE A 18 1.474 6.304 2.098 1.00 0.00 H new ATOM 0 HA ILE A 18 2.030 6.968 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.549 7.028 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.918 4.871 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.105 4.795 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.698 6.917 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.719 8.396 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.130 7.039 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.119 3.526 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.087 4.908 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.262 4.985 -1.646 1.00 0.00 H new ATOM 260 N PRO A 19 2.016 9.490 -0.639 1.00 0.00 N ATOM 261 CA PRO A 19 2.035 10.957 -0.645 1.00 0.00 C ATOM 262 C PRO A 19 0.636 11.572 -0.711 1.00 0.00 C ATOM 263 O PRO A 19 -0.183 11.200 -1.551 1.00 0.00 O ATOM 264 CB PRO A 19 2.829 11.307 -1.910 1.00 0.00 C ATOM 265 CG PRO A 19 3.605 10.076 -2.232 1.00 0.00 C ATOM 266 CD PRO A 19 2.746 8.928 -1.791 1.00 0.00 C ATOM 0 HA PRO A 19 2.471 11.350 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.165 11.580 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.490 12.157 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.820 10.017 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.563 10.070 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.068 8.604 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.343 8.061 -1.508 1.00 0.00 H new ATOM 274 N ASN A 20 0.388 12.531 0.177 1.00 0.00 N ATOM 275 CA ASN A 20 -0.892 13.243 0.239 1.00 0.00 C ATOM 276 C ASN A 20 -2.106 12.317 0.097 1.00 0.00 C ATOM 277 O ASN A 20 -2.870 12.428 -0.864 1.00 0.00 O ATOM 278 CB ASN A 20 -0.938 14.322 -0.845 1.00 0.00 C ATOM 279 CG ASN A 20 -0.352 15.638 -0.375 1.00 0.00 C ATOM 280 OD1 ASN A 20 -0.970 16.694 -0.521 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.847 15.584 0.193 1.00 0.00 N ATOM 0 H ASN A 20 1.066 12.839 0.875 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.952 13.694 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.390 13.976 -1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.971 14.478 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.291 16.439 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.324 14.688 0.294 1.00 0.00 H new ATOM 288 N PHE A 21 -2.296 11.421 1.063 1.00 0.00 N ATOM 289 CA PHE A 21 -3.426 10.507 1.046 1.00 0.00 C ATOM 290 C PHE A 21 -3.998 10.337 2.453 1.00 0.00 C ATOM 291 O PHE A 21 -3.272 10.422 3.444 1.00 0.00 O ATOM 292 CB PHE A 21 -2.994 9.160 0.474 1.00 0.00 C ATOM 293 CG PHE A 21 -3.836 8.002 0.915 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.169 7.933 0.564 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.294 6.994 1.685 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.954 6.872 0.979 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.067 5.930 2.107 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.401 5.870 1.753 1.00 0.00 C ATOM 0 H PHE A 21 -1.678 11.312 1.867 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.208 10.923 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.017 9.217 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.960 8.972 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.604 8.715 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.251 7.037 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.996 6.827 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.630 5.148 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.011 5.041 2.081 1.00 0.00 H new ATOM 308 N GLN A 22 -5.302 10.099 2.531 1.00 0.00 N ATOM 309 CA GLN A 22 -5.971 9.918 3.815 1.00 0.00 C ATOM 310 C GLN A 22 -6.881 8.694 3.787 1.00 0.00 C ATOM 311 O GLN A 22 -7.850 8.646 3.028 1.00 0.00 O ATOM 312 CB GLN A 22 -6.783 11.165 4.170 1.00 0.00 C ATOM 313 CG GLN A 22 -6.013 12.174 5.005 1.00 0.00 C ATOM 314 CD GLN A 22 -6.857 12.785 6.107 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.831 12.331 7.250 1.00 0.00 O ATOM 316 NE2 GLN A 22 -7.614 13.823 5.766 1.00 0.00 N ATOM 0 H GLN A 22 -5.918 10.027 1.721 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.207 9.762 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.116 11.646 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.678 10.863 4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.144 11.687 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.639 12.967 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.605 14.167 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.204 14.275 6.464 1.00 0.00 H new ATOM 325 N MET A 23 -6.564 7.709 4.620 1.00 0.00 N ATOM 326 CA MET A 23 -7.354 6.485 4.692 1.00 0.00 C ATOM 327 C MET A 23 -8.466 6.615 5.727 1.00 0.00 C ATOM 328 O MET A 23 -8.277 6.295 6.900 1.00 0.00 O ATOM 329 CB MET A 23 -6.457 5.294 5.037 1.00 0.00 C ATOM 330 CG MET A 23 -7.023 3.957 4.589 1.00 0.00 C ATOM 331 SD MET A 23 -7.922 3.107 5.901 1.00 0.00 S ATOM 332 CE MET A 23 -9.599 3.206 5.280 1.00 0.00 C ATOM 0 H MET A 23 -5.766 7.734 5.255 1.00 0.00 H new ATOM 0 HA MET A 23 -7.809 6.318 3.716 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.481 5.439 4.575 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.299 5.269 6.115 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.689 4.115 3.741 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.209 3.321 4.241 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.299 2.988 6.086 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.787 4.209 4.898 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.733 2.481 4.477 1.00 0.00 H new ATOM 342 N THR A 24 -9.626 7.088 5.285 1.00 0.00 N ATOM 343 CA THR A 24 -10.771 7.261 6.171 1.00 0.00 C ATOM 344 C THR A 24 -11.997 6.539 5.624 1.00 0.00 C ATOM 345 O THR A 24 -11.912 5.813 4.633 1.00 0.00 O ATOM 346 CB THR A 24 -11.079 8.748 6.354 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.511 9.325 5.134 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.892 9.549 6.845 1.00 0.00 C ATOM 0 H THR A 24 -9.798 7.359 4.317 1.00 0.00 H new ATOM 0 HA THR A 24 -10.519 6.827 7.139 1.00 0.00 H new ATOM 0 HB THR A 24 -11.863 8.789 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.705 10.276 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.179 10.595 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.565 9.161 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.077 9.469 6.126 1.00 0.00 H new ATOM 356 N ASP A 25 -13.140 6.744 6.273 1.00 0.00 N ATOM 357 CA ASP A 25 -14.384 6.113 5.849 1.00 0.00 C ATOM 358 C ASP A 25 -14.711 6.470 4.402 1.00 0.00 C ATOM 359 O ASP A 25 -15.326 5.683 3.682 1.00 0.00 O ATOM 360 CB ASP A 25 -15.535 6.541 6.763 1.00 0.00 C ATOM 361 CG ASP A 25 -15.188 6.400 8.233 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.334 7.172 8.718 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.769 5.517 8.898 1.00 0.00 O ATOM 0 H ASP A 25 -13.229 7.342 7.094 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.255 5.033 5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.797 7.578 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.416 5.938 6.541 1.00 0.00 H new ATOM 368 N ASP A 26 -14.293 7.659 3.983 1.00 0.00 N ATOM 369 CA ASP A 26 -14.539 8.120 2.621 1.00 0.00 C ATOM 370 C ASP A 26 -13.859 7.208 1.604 1.00 0.00 C ATOM 371 O ASP A 26 -14.289 7.115 0.454 1.00 0.00 O ATOM 372 CB ASP A 26 -14.042 9.556 2.448 1.00 0.00 C ATOM 373 CG ASP A 26 -14.891 10.349 1.474 1.00 0.00 C ATOM 374 OD1 ASP A 26 -14.833 10.056 0.262 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.611 11.265 1.924 1.00 0.00 O ATOM 0 H ASP A 26 -13.782 8.321 4.567 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.614 8.091 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.042 10.056 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.010 9.540 2.097 1.00 0.00 H new ATOM 380 N ILE A 27 -12.794 6.537 2.035 1.00 0.00 N ATOM 381 CA ILE A 27 -12.056 5.634 1.167 1.00 0.00 C ATOM 382 C ILE A 27 -12.785 4.287 1.047 1.00 0.00 C ATOM 383 O ILE A 27 -13.139 3.684 2.060 1.00 0.00 O ATOM 384 CB ILE A 27 -10.627 5.420 1.712 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.835 6.727 1.627 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.904 4.312 0.959 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.699 7.259 0.217 1.00 0.00 C ATOM 0 H ILE A 27 -12.425 6.604 2.983 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.991 6.082 0.176 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.704 5.114 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.324 7.480 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.841 6.568 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.901 4.188 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.457 3.379 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.835 4.575 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.127 8.187 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.183 6.524 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.689 7.450 -0.197 1.00 0.00 H new ATOM 399 N ASP A 28 -13.020 3.815 -0.184 1.00 0.00 N ATOM 400 CA ASP A 28 -13.713 2.554 -0.394 1.00 0.00 C ATOM 401 C ASP A 28 -12.738 1.438 -0.745 1.00 0.00 C ATOM 402 O ASP A 28 -12.904 0.305 -0.294 1.00 0.00 O ATOM 403 CB ASP A 28 -14.756 2.703 -1.502 1.00 0.00 C ATOM 404 CG ASP A 28 -16.054 1.991 -1.175 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.825 2.514 -0.344 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.300 0.910 -1.751 1.00 0.00 O ATOM 0 H ASP A 28 -12.739 4.291 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.212 2.288 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.957 3.761 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.352 2.306 -2.433 1.00 0.00 H new ATOM 411 N GLU A 29 -11.719 1.748 -1.547 1.00 0.00 N ATOM 412 CA GLU A 29 -10.746 0.724 -1.922 1.00 0.00 C ATOM 413 C GLU A 29 -9.329 1.273 -2.000 1.00 0.00 C ATOM 414 O GLU A 29 -9.110 2.459 -2.243 1.00 0.00 O ATOM 415 CB GLU A 29 -11.120 0.060 -3.253 1.00 0.00 C ATOM 416 CG GLU A 29 -12.566 -0.387 -3.315 1.00 0.00 C ATOM 417 CD GLU A 29 -12.773 -1.576 -4.233 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.766 -2.202 -4.631 1.00 0.00 O ATOM 419 OE2 GLU A 29 -13.940 -1.883 -4.554 1.00 0.00 O ATOM 0 H GLU A 29 -11.548 2.674 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.772 -0.026 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.928 0.760 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.473 -0.802 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.906 -0.645 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.184 0.443 -3.657 1.00 0.00 H new ATOM 426 N VAL A 30 -8.375 0.376 -1.791 1.00 0.00 N ATOM 427 CA VAL A 30 -6.958 0.715 -1.831 1.00 0.00 C ATOM 428 C VAL A 30 -6.146 -0.476 -2.334 1.00 0.00 C ATOM 429 O VAL A 30 -6.130 -1.533 -1.704 1.00 0.00 O ATOM 430 CB VAL A 30 -6.438 1.130 -0.441 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.986 1.579 -0.521 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.311 2.228 0.148 1.00 0.00 C ATOM 0 H VAL A 30 -8.561 -0.606 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.841 1.558 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.488 0.263 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.639 1.867 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.372 0.760 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.905 2.431 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.929 2.509 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.296 3.097 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.334 1.866 0.247 1.00 0.00 H new ATOM 442 N ARG A 31 -5.491 -0.313 -3.480 1.00 0.00 N ATOM 443 CA ARG A 31 -4.702 -1.397 -4.062 1.00 0.00 C ATOM 444 C ARG A 31 -3.207 -1.093 -4.040 1.00 0.00 C ATOM 445 O ARG A 31 -2.775 -0.004 -4.415 1.00 0.00 O ATOM 446 CB ARG A 31 -5.145 -1.671 -5.506 1.00 0.00 C ATOM 447 CG ARG A 31 -6.587 -1.281 -5.795 1.00 0.00 C ATOM 448 CD ARG A 31 -7.198 -2.162 -6.872 1.00 0.00 C ATOM 449 NE ARG A 31 -6.384 -2.187 -8.086 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.806 -2.669 -9.253 1.00 0.00 C ATOM 451 NH1 ARG A 31 -8.032 -3.164 -9.369 1.00 0.00 N ATOM 452 NH2 ARG A 31 -6.002 -2.653 -10.306 1.00 0.00 N ATOM 0 H ARG A 31 -5.490 0.552 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.878 -2.281 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.489 -1.127 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.017 -2.732 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.176 -1.360 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.627 -0.238 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.310 -3.177 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.197 -1.800 -7.113 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.436 -1.813 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.656 -3.176 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.351 -3.532 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.060 -2.271 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.325 -3.022 -11.200 1.00 0.00 H new ATOM 466 N TRP A 32 -2.424 -2.083 -3.620 1.00 0.00 N ATOM 467 CA TRP A 32 -0.971 -1.962 -3.571 1.00 0.00 C ATOM 468 C TRP A 32 -0.360 -2.896 -4.607 1.00 0.00 C ATOM 469 O TRP A 32 -0.010 -4.035 -4.298 1.00 0.00 O ATOM 470 CB TRP A 32 -0.443 -2.314 -2.175 1.00 0.00 C ATOM 471 CG TRP A 32 -0.622 -1.221 -1.161 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.701 -1.021 -0.346 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.315 -0.185 -0.849 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.492 0.081 0.450 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.262 0.612 0.159 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.584 0.145 -1.326 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.392 1.720 0.696 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.231 1.244 -0.792 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.634 2.020 0.209 1.00 0.00 C ATOM 0 H TRP A 32 -2.777 -2.987 -3.306 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.692 -0.931 -3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.951 -3.211 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.617 -2.557 -2.249 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.587 -1.638 -0.330 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.146 0.444 1.144 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.052 -0.447 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.066 2.320 1.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.214 1.509 -1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.165 2.873 0.605 1.00 0.00 H new ATOM 490 N GLU A 33 -0.262 -2.421 -5.844 1.00 0.00 N ATOM 491 CA GLU A 33 0.274 -3.237 -6.927 1.00 0.00 C ATOM 492 C GLU A 33 1.710 -2.866 -7.271 1.00 0.00 C ATOM 493 O GLU A 33 2.114 -1.708 -7.166 1.00 0.00 O ATOM 494 CB GLU A 33 -0.606 -3.108 -8.171 1.00 0.00 C ATOM 495 CG GLU A 33 -2.052 -3.510 -7.937 1.00 0.00 C ATOM 496 CD GLU A 33 -3.016 -2.781 -8.852 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.197 -1.558 -8.670 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.588 -3.430 -9.753 1.00 0.00 O ATOM 0 H GLU A 33 -0.545 -1.481 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 33 0.274 -4.271 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.577 -2.076 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.190 -3.727 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.155 -4.584 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.318 -3.307 -6.900 1.00 0.00 H new ATOM 505 N ARG A 34 2.466 -3.870 -7.701 1.00 0.00 N ATOM 506 CA ARG A 34 3.856 -3.686 -8.091 1.00 0.00 C ATOM 507 C ARG A 34 4.147 -4.504 -9.344 1.00 0.00 C ATOM 508 O ARG A 34 4.007 -5.730 -9.340 1.00 0.00 O ATOM 509 CB ARG A 34 4.791 -4.108 -6.957 1.00 0.00 C ATOM 510 CG ARG A 34 6.250 -3.761 -7.210 1.00 0.00 C ATOM 511 CD ARG A 34 7.045 -4.979 -7.653 1.00 0.00 C ATOM 512 NE ARG A 34 7.226 -5.018 -9.102 1.00 0.00 N ATOM 513 CZ ARG A 34 8.101 -4.261 -9.761 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.876 -3.407 -9.104 1.00 0.00 N ATOM 515 NH2 ARG A 34 8.202 -4.360 -11.079 1.00 0.00 N ATOM 0 H ARG A 34 2.133 -4.830 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 34 4.028 -2.630 -8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.467 -3.629 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.703 -5.184 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.313 -2.986 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.690 -3.349 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.020 -4.972 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.533 -5.884 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 34 6.648 -5.663 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.803 -3.328 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.545 -2.829 -9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.610 -5.016 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.872 -3.780 -11.584 1.00 0.00 H new ATOM 529 N GLY A 35 4.527 -3.826 -10.421 1.00 0.00 N ATOM 530 CA GLY A 35 4.803 -4.525 -11.662 1.00 0.00 C ATOM 531 C GLY A 35 3.607 -5.320 -12.136 1.00 0.00 C ATOM 532 O GLY A 35 2.556 -4.758 -12.441 1.00 0.00 O ATOM 0 H GLY A 35 4.648 -2.814 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.088 -3.805 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.652 -5.194 -11.521 1.00 0.00 H new ATOM 536 N SER A 36 3.767 -6.633 -12.186 1.00 0.00 N ATOM 537 CA SER A 36 2.693 -7.520 -12.613 1.00 0.00 C ATOM 538 C SER A 36 2.293 -8.467 -11.483 1.00 0.00 C ATOM 539 O SER A 36 2.106 -9.664 -11.701 1.00 0.00 O ATOM 540 CB SER A 36 3.125 -8.324 -13.842 1.00 0.00 C ATOM 541 OG SER A 36 3.189 -7.501 -14.993 1.00 0.00 O ATOM 0 H SER A 36 4.633 -7.111 -11.936 1.00 0.00 H new ATOM 0 HA SER A 36 1.829 -6.909 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.100 -8.777 -13.660 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.422 -9.139 -14.013 1.00 0.00 H new ATOM 0 HG SER A 36 3.469 -8.038 -15.764 1.00 0.00 H new ATOM 547 N THR A 37 2.172 -7.925 -10.272 1.00 0.00 N ATOM 548 CA THR A 37 1.803 -8.729 -9.111 1.00 0.00 C ATOM 549 C THR A 37 1.097 -7.883 -8.053 1.00 0.00 C ATOM 550 O THR A 37 1.230 -6.660 -8.032 1.00 0.00 O ATOM 551 CB THR A 37 3.057 -9.372 -8.510 1.00 0.00 C ATOM 552 OG1 THR A 37 3.671 -10.241 -9.445 1.00 0.00 O ATOM 553 CG2 THR A 37 2.789 -10.171 -7.251 1.00 0.00 C ATOM 0 H THR A 37 2.324 -6.937 -10.071 1.00 0.00 H new ATOM 0 HA THR A 37 1.112 -9.506 -9.439 1.00 0.00 H new ATOM 0 HB THR A 37 3.708 -8.536 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.471 -10.641 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.723 -10.596 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.363 -9.518 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.087 -10.975 -7.473 1.00 0.00 H new ATOM 561 N LEU A 38 0.362 -8.549 -7.163 1.00 0.00 N ATOM 562 CA LEU A 38 -0.344 -7.859 -6.085 1.00 0.00 C ATOM 563 C LEU A 38 0.415 -8.031 -4.780 1.00 0.00 C ATOM 564 O LEU A 38 1.041 -9.066 -4.548 1.00 0.00 O ATOM 565 CB LEU A 38 -1.770 -8.398 -5.908 1.00 0.00 C ATOM 566 CG LEU A 38 -2.892 -7.535 -6.494 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.242 -8.153 -6.167 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.806 -6.114 -5.955 1.00 0.00 C ATOM 0 H LEU A 38 0.240 -9.562 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.404 -6.804 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.823 -9.386 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.958 -8.529 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.779 -7.494 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.036 -7.535 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.297 -9.154 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.362 -8.214 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.610 -5.514 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.902 -6.130 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.845 -5.679 -6.228 1.00 0.00 H new ATOM 580 N VAL A 39 0.350 -7.022 -3.929 1.00 0.00 N ATOM 581 CA VAL A 39 1.025 -7.073 -2.647 1.00 0.00 C ATOM 582 C VAL A 39 0.013 -6.973 -1.513 1.00 0.00 C ATOM 583 O VAL A 39 0.095 -7.703 -0.523 1.00 0.00 O ATOM 584 CB VAL A 39 2.071 -5.945 -2.527 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.575 -5.822 -1.099 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.229 -6.195 -3.488 1.00 0.00 C ATOM 0 H VAL A 39 -0.164 -6.158 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 39 1.544 -8.029 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 39 1.593 -5.003 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.311 -5.020 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.739 -5.596 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.037 -6.761 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.960 -5.392 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.702 -7.147 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.853 -6.225 -4.511 1.00 0.00 H new ATOM 596 N ALA A 40 -0.949 -6.071 -1.670 1.00 0.00 N ATOM 597 CA ALA A 40 -1.986 -5.880 -0.664 1.00 0.00 C ATOM 598 C ALA A 40 -3.133 -5.025 -1.195 1.00 0.00 C ATOM 599 O ALA A 40 -2.969 -3.832 -1.445 1.00 0.00 O ATOM 600 CB ALA A 40 -1.398 -5.253 0.589 1.00 0.00 C ATOM 0 H ALA A 40 -1.032 -5.461 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.390 -6.861 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.185 -5.117 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.626 -5.906 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.961 -4.286 0.341 1.00 0.00 H new ATOM 606 N GLU A 41 -4.294 -5.645 -1.358 1.00 0.00 N ATOM 607 CA GLU A 41 -5.474 -4.943 -1.854 1.00 0.00 C ATOM 608 C GLU A 41 -6.596 -4.964 -0.821 1.00 0.00 C ATOM 609 O GLU A 41 -7.079 -6.027 -0.432 1.00 0.00 O ATOM 610 CB GLU A 41 -5.954 -5.569 -3.167 1.00 0.00 C ATOM 611 CG GLU A 41 -5.912 -4.607 -4.342 1.00 0.00 C ATOM 612 CD GLU A 41 -6.239 -5.281 -5.659 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.975 -6.290 -5.644 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.760 -4.801 -6.708 1.00 0.00 O ATOM 0 H GLU A 41 -4.446 -6.633 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.197 -3.905 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.336 -6.437 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.974 -5.930 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.619 -3.796 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.921 -4.158 -4.404 1.00 0.00 H new ATOM 621 N PHE A 42 -7.006 -3.777 -0.386 1.00 0.00 N ATOM 622 CA PHE A 42 -8.071 -3.647 0.600 1.00 0.00 C ATOM 623 C PHE A 42 -9.359 -3.160 -0.058 1.00 0.00 C ATOM 624 O PHE A 42 -9.330 -2.554 -1.129 1.00 0.00 O ATOM 625 CB PHE A 42 -7.649 -2.681 1.711 1.00 0.00 C ATOM 626 CG PHE A 42 -8.740 -2.381 2.700 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.631 -1.345 2.473 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.873 -3.134 3.855 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.635 -1.065 3.381 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.875 -2.859 4.767 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.758 -1.823 4.528 1.00 0.00 C ATOM 0 H PHE A 42 -6.615 -2.890 -0.702 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.256 -4.629 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.796 -3.103 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.313 -1.747 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.540 -0.749 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.186 -3.945 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.323 -0.254 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.968 -3.453 5.664 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.543 -1.607 5.238 1.00 0.00 H new ATOM 641 N LYS A 43 -10.487 -3.430 0.590 1.00 0.00 N ATOM 642 CA LYS A 43 -11.785 -3.019 0.068 1.00 0.00 C ATOM 643 C LYS A 43 -12.790 -2.828 1.198 1.00 0.00 C ATOM 644 O LYS A 43 -12.696 -3.470 2.242 1.00 0.00 O ATOM 645 CB LYS A 43 -12.309 -4.057 -0.927 1.00 0.00 C ATOM 646 CG LYS A 43 -11.444 -4.201 -2.169 1.00 0.00 C ATOM 647 CD LYS A 43 -12.001 -5.251 -3.115 1.00 0.00 C ATOM 648 CE LYS A 43 -13.046 -4.661 -4.050 1.00 0.00 C ATOM 649 NZ LYS A 43 -14.059 -5.672 -4.460 1.00 0.00 N ATOM 0 H LYS A 43 -10.529 -3.931 1.477 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.658 -2.066 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.378 -5.024 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.320 -3.781 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.382 -3.242 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.429 -4.473 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.189 -5.682 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.444 -6.063 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.545 -3.827 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.555 -4.259 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.842 -5.198 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.618 -6.367 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.426 -6.158 -3.617 1.00 0.00 H new ATOM 663 N ARG A 44 -13.756 -1.940 0.978 1.00 0.00 N ATOM 664 CA ARG A 44 -14.781 -1.664 1.969 1.00 0.00 C ATOM 665 C ARG A 44 -15.561 -2.918 2.292 1.00 0.00 C ATOM 666 O ARG A 44 -16.568 -3.240 1.661 1.00 0.00 O ATOM 667 CB ARG A 44 -15.724 -0.585 1.483 1.00 0.00 C ATOM 668 CG ARG A 44 -16.787 -0.195 2.498 1.00 0.00 C ATOM 669 CD ARG A 44 -16.170 0.223 3.824 1.00 0.00 C ATOM 670 NE ARG A 44 -15.325 1.407 3.685 1.00 0.00 N ATOM 671 CZ ARG A 44 -14.619 1.934 4.682 1.00 0.00 C ATOM 672 NH1 ARG A 44 -14.653 1.387 5.890 1.00 0.00 N ATOM 673 NH2 ARG A 44 -13.876 3.012 4.471 1.00 0.00 N ATOM 0 H ARG A 44 -13.847 -1.400 0.118 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.285 -1.313 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.144 0.300 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.214 -0.927 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.387 0.624 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.462 -1.035 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.962 0.425 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.578 -0.600 4.224 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.273 1.856 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.223 0.558 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.110 1.796 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.846 3.437 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.335 3.416 5.235 1.00 0.00 H new ATOM 687 N LYS A 45 -15.062 -3.610 3.281 1.00 0.00 N ATOM 688 CA LYS A 45 -15.652 -4.861 3.763 1.00 0.00 C ATOM 689 C LYS A 45 -15.245 -6.040 2.883 1.00 0.00 C ATOM 690 O LYS A 45 -14.874 -7.100 3.387 1.00 0.00 O ATOM 691 CB LYS A 45 -17.181 -4.759 3.824 1.00 0.00 C ATOM 692 CG LYS A 45 -17.682 -3.465 4.446 1.00 0.00 C ATOM 693 CD LYS A 45 -18.916 -2.943 3.729 1.00 0.00 C ATOM 694 CE LYS A 45 -20.195 -3.432 4.391 1.00 0.00 C ATOM 695 NZ LYS A 45 -20.666 -4.718 3.806 1.00 0.00 N ATOM 0 H LYS A 45 -14.224 -3.330 3.791 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.271 -5.033 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.583 -4.846 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.570 -5.601 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.915 -3.632 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.893 -2.713 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.901 -1.853 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.897 -3.266 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.024 -3.560 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.973 -2.676 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.540 -5.018 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.853 -4.590 2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.934 -5.446 3.934 1.00 0.00 H new ATOM 709 N MET A 46 -15.321 -5.853 1.567 1.00 0.00 N ATOM 710 CA MET A 46 -14.960 -6.907 0.616 1.00 0.00 C ATOM 711 C MET A 46 -13.651 -7.588 1.013 1.00 0.00 C ATOM 712 O MET A 46 -12.726 -6.940 1.501 1.00 0.00 O ATOM 713 CB MET A 46 -14.840 -6.337 -0.801 1.00 0.00 C ATOM 714 CG MET A 46 -16.138 -6.389 -1.591 1.00 0.00 C ATOM 715 SD MET A 46 -16.154 -7.715 -2.813 1.00 0.00 S ATOM 716 CE MET A 46 -17.828 -8.328 -2.626 1.00 0.00 C ATOM 0 H MET A 46 -15.629 -4.983 1.133 1.00 0.00 H new ATOM 0 HA MET A 46 -15.755 -7.653 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.503 -5.302 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.073 -6.891 -1.342 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.973 -6.524 -0.903 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.291 -5.434 -2.094 1.00 0.00 H new ATOM 0 HE1 MET A 46 -17.992 -9.154 -3.318 1.00 0.00 H new ATOM 0 HE2 MET A 46 -17.976 -8.676 -1.604 1.00 0.00 H new ATOM 0 HE3 MET A 46 -18.535 -7.527 -2.843 1.00 0.00 H new ATOM 726 N LYS A 47 -13.583 -8.898 0.800 1.00 0.00 N ATOM 727 CA LYS A 47 -12.391 -9.671 1.137 1.00 0.00 C ATOM 728 C LYS A 47 -11.157 -9.118 0.423 1.00 0.00 C ATOM 729 O LYS A 47 -11.130 -9.036 -0.806 1.00 0.00 O ATOM 730 CB LYS A 47 -12.593 -11.142 0.766 1.00 0.00 C ATOM 731 CG LYS A 47 -12.729 -11.381 -0.730 1.00 0.00 C ATOM 732 CD LYS A 47 -13.863 -12.343 -1.042 1.00 0.00 C ATOM 733 CE LYS A 47 -13.520 -13.247 -2.216 1.00 0.00 C ATOM 734 NZ LYS A 47 -14.198 -14.570 -2.114 1.00 0.00 N ATOM 0 H LYS A 47 -14.340 -9.448 0.395 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.229 -9.591 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.750 -11.722 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.486 -11.515 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.907 -10.432 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.794 -11.781 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.077 -12.951 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.768 -11.779 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.812 -12.760 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.441 -13.394 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.939 -15.157 -2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.900 -15.046 -1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.229 -14.432 -2.100 1.00 0.00 H new ATOM 748 N PRO A 48 -10.116 -8.730 1.182 1.00 0.00 N ATOM 749 CA PRO A 48 -8.884 -8.185 0.611 1.00 0.00 C ATOM 750 C PRO A 48 -7.946 -9.272 0.098 1.00 0.00 C ATOM 751 O PRO A 48 -8.303 -10.450 0.062 1.00 0.00 O ATOM 752 CB PRO A 48 -8.257 -7.453 1.794 1.00 0.00 C ATOM 753 CG PRO A 48 -8.694 -8.233 2.987 1.00 0.00 C ATOM 754 CD PRO A 48 -10.058 -8.787 2.657 1.00 0.00 C ATOM 0 HA PRO A 48 -9.076 -7.552 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.170 -7.426 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.599 -6.419 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.991 -9.037 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.736 -7.598 3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.174 -9.807 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.851 -8.193 3.111 1.00 0.00 H new ATOM 762 N PHE A 49 -6.743 -8.866 -0.299 1.00 0.00 N ATOM 763 CA PHE A 49 -5.747 -9.799 -0.812 1.00 0.00 C ATOM 764 C PHE A 49 -4.363 -9.500 -0.243 1.00 0.00 C ATOM 765 O PHE A 49 -3.699 -8.559 -0.673 1.00 0.00 O ATOM 766 CB PHE A 49 -5.692 -9.736 -2.340 1.00 0.00 C ATOM 767 CG PHE A 49 -4.549 -10.522 -2.929 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.673 -11.882 -3.160 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.346 -9.901 -3.237 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.622 -12.608 -3.690 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.293 -10.622 -3.763 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.431 -11.977 -3.991 1.00 0.00 C ATOM 0 H PHE A 49 -6.435 -7.894 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.044 -10.800 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.630 -10.113 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.606 -8.695 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.601 -12.381 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.233 -8.841 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.733 -13.667 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.362 -10.127 -3.996 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.609 -12.542 -4.404 1.00 0.00 H new ATOM 782 N LEU A 50 -3.927 -10.317 0.707 1.00 0.00 N ATOM 783 CA LEU A 50 -2.617 -10.149 1.311 1.00 0.00 C ATOM 784 C LEU A 50 -1.614 -11.096 0.656 1.00 0.00 C ATOM 785 O LEU A 50 -1.700 -12.312 0.825 1.00 0.00 O ATOM 786 CB LEU A 50 -2.693 -10.419 2.816 1.00 0.00 C ATOM 787 CG LEU A 50 -2.863 -9.178 3.694 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.809 -9.555 5.167 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.797 -8.144 3.367 1.00 0.00 C ATOM 0 H LEU A 50 -4.464 -11.103 1.074 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.285 -9.122 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.527 -11.095 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.785 -10.939 3.122 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.840 -8.741 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.932 -8.660 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.610 -10.260 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.847 -10.016 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.933 -7.268 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.810 -8.571 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.883 -7.851 2.321 1.00 0.00 H new ATOM 801 N LYS A 51 -0.669 -10.538 -0.101 1.00 0.00 N ATOM 802 CA LYS A 51 0.339 -11.343 -0.789 1.00 0.00 C ATOM 803 C LYS A 51 0.923 -12.414 0.129 1.00 0.00 C ATOM 804 O LYS A 51 1.148 -13.549 -0.291 1.00 0.00 O ATOM 805 CB LYS A 51 1.457 -10.447 -1.323 1.00 0.00 C ATOM 806 CG LYS A 51 2.570 -11.209 -2.026 1.00 0.00 C ATOM 807 CD LYS A 51 3.530 -10.267 -2.734 1.00 0.00 C ATOM 808 CE LYS A 51 4.385 -11.004 -3.751 1.00 0.00 C ATOM 809 NZ LYS A 51 5.727 -11.347 -3.204 1.00 0.00 N ATOM 0 H LYS A 51 -0.581 -9.533 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.151 -11.845 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.030 -9.723 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.883 -9.881 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.117 -11.809 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.138 -11.901 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.966 -9.479 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.173 -9.782 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.875 -11.916 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.503 -10.387 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.279 -11.849 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.224 -10.475 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.616 -11.957 -2.369 1.00 0.00 H new ATOM 823 N SER A 52 1.166 -12.049 1.384 1.00 0.00 N ATOM 824 CA SER A 52 1.722 -12.986 2.354 1.00 0.00 C ATOM 825 C SER A 52 1.865 -12.338 3.728 1.00 0.00 C ATOM 826 O SER A 52 1.798 -11.116 3.860 1.00 0.00 O ATOM 827 CB SER A 52 3.083 -13.498 1.878 1.00 0.00 C ATOM 828 OG SER A 52 3.796 -12.486 1.188 1.00 0.00 O ATOM 0 H SER A 52 0.987 -11.115 1.752 1.00 0.00 H new ATOM 0 HA SER A 52 1.032 -13.825 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.666 -13.839 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.943 -14.359 1.224 1.00 0.00 H new ATOM 0 HG SER A 52 4.663 -12.838 0.896 1.00 0.00 H new ATOM 834 N GLY A 53 2.056 -13.171 4.747 1.00 0.00 N ATOM 835 CA GLY A 53 2.199 -12.660 6.108 1.00 0.00 C ATOM 836 C GLY A 53 3.318 -11.634 6.249 1.00 0.00 C ATOM 837 O GLY A 53 3.417 -10.968 7.279 1.00 0.00 O ATOM 0 H GLY A 53 2.115 -14.186 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.258 -12.207 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.391 -13.493 6.784 1.00 0.00 H new ATOM 841 N ALA A 54 4.172 -11.501 5.223 1.00 0.00 N ATOM 842 CA ALA A 54 5.276 -10.547 5.278 1.00 0.00 C ATOM 843 C ALA A 54 4.802 -9.106 5.095 1.00 0.00 C ATOM 844 O ALA A 54 5.610 -8.178 5.092 1.00 0.00 O ATOM 845 CB ALA A 54 6.322 -10.893 4.229 1.00 0.00 C ATOM 0 H ALA A 54 4.116 -12.038 4.357 1.00 0.00 H new ATOM 0 HA ALA A 54 5.720 -10.620 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.140 -10.174 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.707 -11.895 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.869 -10.858 3.238 1.00 0.00 H new ATOM 851 N PHE A 55 3.495 -8.920 4.950 1.00 0.00 N ATOM 852 CA PHE A 55 2.933 -7.585 4.774 1.00 0.00 C ATOM 853 C PHE A 55 1.748 -7.359 5.700 1.00 0.00 C ATOM 854 O PHE A 55 1.098 -8.304 6.145 1.00 0.00 O ATOM 855 CB PHE A 55 2.488 -7.370 3.327 1.00 0.00 C ATOM 856 CG PHE A 55 3.573 -7.603 2.319 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.564 -6.657 2.132 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.598 -8.758 1.554 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.564 -6.854 1.201 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.596 -8.963 0.621 1.00 0.00 C ATOM 861 CZ PHE A 55 5.581 -8.010 0.443 1.00 0.00 C ATOM 0 H PHE A 55 2.807 -9.673 4.951 1.00 0.00 H new ATOM 0 HA PHE A 55 3.717 -6.869 5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.654 -8.038 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.117 -6.351 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.556 -5.752 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.830 -9.505 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.332 -6.107 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.606 -9.868 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.362 -8.168 -0.286 1.00 0.00 H new ATOM 871 N GLU A 56 1.469 -6.091 5.975 1.00 0.00 N ATOM 872 CA GLU A 56 0.357 -5.718 6.837 1.00 0.00 C ATOM 873 C GLU A 56 -0.166 -4.338 6.454 1.00 0.00 C ATOM 874 O GLU A 56 0.555 -3.343 6.540 1.00 0.00 O ATOM 875 CB GLU A 56 0.788 -5.729 8.305 1.00 0.00 C ATOM 876 CG GLU A 56 0.598 -7.075 8.984 1.00 0.00 C ATOM 877 CD GLU A 56 0.811 -7.006 10.483 1.00 0.00 C ATOM 878 OE1 GLU A 56 1.983 -6.993 10.916 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.192 -6.966 11.225 1.00 0.00 O ATOM 0 H GLU A 56 2.001 -5.301 5.611 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.442 -6.448 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.838 -5.444 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.219 -4.974 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.408 -7.442 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.294 -7.796 8.555 1.00 0.00 H new ATOM 886 N ILE A 57 -1.421 -4.288 6.020 1.00 0.00 N ATOM 887 CA ILE A 57 -2.037 -3.031 5.614 1.00 0.00 C ATOM 888 C ILE A 57 -2.370 -2.160 6.823 1.00 0.00 C ATOM 889 O ILE A 57 -3.385 -2.362 7.490 1.00 0.00 O ATOM 890 CB ILE A 57 -3.314 -3.270 4.780 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.852 -1.942 4.242 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.377 -3.988 5.602 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.653 -2.088 2.966 1.00 0.00 C ATOM 0 H ILE A 57 -2.030 -5.102 5.941 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.309 -2.508 4.994 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.056 -3.909 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.478 -1.477 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.016 -1.267 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.266 -4.144 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.991 -4.952 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.636 -3.383 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.003 -1.108 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.024 -2.524 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.509 -2.738 3.146 1.00 0.00 H new ATOM 905 N LEU A 58 -1.506 -1.189 7.099 1.00 0.00 N ATOM 906 CA LEU A 58 -1.701 -0.282 8.226 1.00 0.00 C ATOM 907 C LEU A 58 -3.101 0.328 8.207 1.00 0.00 C ATOM 908 O LEU A 58 -3.819 0.230 7.211 1.00 0.00 O ATOM 909 CB LEU A 58 -0.644 0.827 8.199 1.00 0.00 C ATOM 910 CG LEU A 58 0.325 0.836 9.384 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.856 -0.564 9.657 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.473 1.798 9.120 1.00 0.00 C ATOM 0 H LEU A 58 -0.661 -1.009 6.556 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.594 -0.857 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.066 0.734 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.153 1.790 8.159 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.216 1.173 10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.543 -0.534 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.025 -1.230 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.382 -0.932 8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.154 1.794 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.010 1.487 8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.079 2.804 8.975 1.00 0.00 H new ATOM 924 N ALA A 59 -3.484 0.952 9.316 1.00 0.00 N ATOM 925 CA ALA A 59 -4.798 1.574 9.433 1.00 0.00 C ATOM 926 C ALA A 59 -4.930 2.788 8.516 1.00 0.00 C ATOM 927 O ALA A 59 -6.038 3.174 8.143 1.00 0.00 O ATOM 928 CB ALA A 59 -5.063 1.972 10.877 1.00 0.00 C ATOM 0 H ALA A 59 -2.901 1.040 10.149 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.542 0.841 9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.047 2.435 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.030 1.086 11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.302 2.681 11.205 1.00 0.00 H new ATOM 934 N ASN A 60 -3.799 3.391 8.158 1.00 0.00 N ATOM 935 CA ASN A 60 -3.804 4.563 7.290 1.00 0.00 C ATOM 936 C ASN A 60 -3.550 4.173 5.836 1.00 0.00 C ATOM 937 O ASN A 60 -2.935 4.925 5.080 1.00 0.00 O ATOM 938 CB ASN A 60 -2.751 5.574 7.753 1.00 0.00 C ATOM 939 CG ASN A 60 -1.337 5.039 7.636 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.909 4.271 8.631 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.635 5.314 6.662 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.871 3.088 8.455 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.791 5.022 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.841 6.484 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.947 5.848 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.003 5.908 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.315 4.948 6.598 1.00 0.00 H new ATOM 948 N GLY A 61 -4.029 2.993 5.450 1.00 0.00 N ATOM 949 CA GLY A 61 -3.846 2.528 4.086 1.00 0.00 C ATOM 950 C GLY A 61 -2.385 2.454 3.686 1.00 0.00 C ATOM 951 O GLY A 61 -2.039 2.694 2.529 1.00 0.00 O ATOM 0 H GLY A 61 -4.540 2.352 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.299 1.542 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.372 3.197 3.405 1.00 0.00 H new ATOM 955 N ASP A 62 -1.528 2.121 4.645 1.00 0.00 N ATOM 956 CA ASP A 62 -0.095 2.016 4.386 1.00 0.00 C ATOM 957 C ASP A 62 0.335 0.556 4.272 1.00 0.00 C ATOM 958 O ASP A 62 -0.406 -0.352 4.649 1.00 0.00 O ATOM 959 CB ASP A 62 0.702 2.712 5.493 1.00 0.00 C ATOM 960 CG ASP A 62 1.737 3.671 4.943 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.340 4.693 4.344 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.945 3.403 5.111 1.00 0.00 O ATOM 0 H ASP A 62 -1.799 1.919 5.607 1.00 0.00 H new ATOM 0 HA ASP A 62 0.111 2.511 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.017 3.255 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.197 1.961 6.108 1.00 0.00 H new ATOM 967 N LEU A 63 1.540 0.340 3.753 1.00 0.00 N ATOM 968 CA LEU A 63 2.077 -1.014 3.594 1.00 0.00 C ATOM 969 C LEU A 63 3.173 -1.278 4.620 1.00 0.00 C ATOM 970 O LEU A 63 4.187 -0.581 4.646 1.00 0.00 O ATOM 971 CB LEU A 63 2.648 -1.194 2.187 1.00 0.00 C ATOM 972 CG LEU A 63 2.931 -2.638 1.776 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.663 -3.320 1.291 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.002 -2.672 0.697 1.00 0.00 C ATOM 0 H LEU A 63 2.164 1.081 3.435 1.00 0.00 H new ATOM 0 HA LEU A 63 1.264 -1.723 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.950 -0.760 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.575 -0.625 2.113 1.00 0.00 H new ATOM 0 HG LEU A 63 3.293 -3.182 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.889 -4.347 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.922 -3.322 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.267 -2.782 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.197 -3.705 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.659 -2.113 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.918 -2.222 1.080 1.00 0.00 H new ATOM 986 N LYS A 64 2.969 -2.281 5.467 1.00 0.00 N ATOM 987 CA LYS A 64 3.952 -2.618 6.488 1.00 0.00 C ATOM 988 C LYS A 64 4.705 -3.893 6.122 1.00 0.00 C ATOM 989 O LYS A 64 4.135 -4.984 6.127 1.00 0.00 O ATOM 990 CB LYS A 64 3.269 -2.787 7.847 1.00 0.00 C ATOM 991 CG LYS A 64 4.082 -2.239 9.009 1.00 0.00 C ATOM 992 CD LYS A 64 3.608 -2.808 10.338 1.00 0.00 C ATOM 993 CE LYS A 64 4.281 -4.135 10.646 1.00 0.00 C ATOM 994 NZ LYS A 64 4.556 -4.293 12.101 1.00 0.00 N ATOM 0 H LYS A 64 2.137 -2.871 5.467 1.00 0.00 H new ATOM 0 HA LYS A 64 4.670 -1.800 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.302 -2.286 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.075 -3.846 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.135 -2.480 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.004 -1.152 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.821 -2.097 11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.527 -2.944 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.645 -4.952 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.216 -4.206 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.015 -5.211 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.183 -3.528 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.662 -4.251 12.630 1.00 0.00 H new ATOM 1008 N ILE A 65 5.989 -3.746 5.810 1.00 0.00 N ATOM 1009 CA ILE A 65 6.824 -4.887 5.446 1.00 0.00 C ATOM 1010 C ILE A 65 7.502 -5.469 6.685 1.00 0.00 C ATOM 1011 O ILE A 65 7.964 -4.728 7.553 1.00 0.00 O ATOM 1012 CB ILE A 65 7.898 -4.494 4.412 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.335 -3.461 3.424 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.406 -5.733 3.686 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.256 -3.157 2.258 1.00 0.00 C ATOM 0 H ILE A 65 6.474 -2.849 5.802 1.00 0.00 H new ATOM 0 HA ILE A 65 6.172 -5.638 4.999 1.00 0.00 H new ATOM 0 HB ILE A 65 8.741 -4.037 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.383 -3.825 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.128 -2.535 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.164 -5.443 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.841 -6.425 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.577 -6.219 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.787 -2.420 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.200 -2.762 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.444 -4.071 1.695 1.00 0.00 H new ATOM 1027 N LYS A 66 7.545 -6.797 6.774 1.00 0.00 N ATOM 1028 CA LYS A 66 8.153 -7.466 7.923 1.00 0.00 C ATOM 1029 C LYS A 66 9.662 -7.602 7.768 1.00 0.00 C ATOM 1030 O LYS A 66 10.425 -7.288 8.681 1.00 0.00 O ATOM 1031 CB LYS A 66 7.524 -8.846 8.126 1.00 0.00 C ATOM 1032 CG LYS A 66 8.076 -9.599 9.326 1.00 0.00 C ATOM 1033 CD LYS A 66 7.685 -11.067 9.292 1.00 0.00 C ATOM 1034 CE LYS A 66 6.179 -11.244 9.399 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.690 -11.023 10.788 1.00 0.00 N ATOM 0 H LYS A 66 7.168 -7.429 6.068 1.00 0.00 H new ATOM 0 HA LYS A 66 7.963 -6.847 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.447 -8.730 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.683 -9.444 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.162 -9.511 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.705 -9.144 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.041 -11.518 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.174 -11.594 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.683 -10.546 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.908 -12.249 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.659 -11.153 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.144 -11.705 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.926 -10.056 11.089 1.00 0.00 H new ATOM 1049 N ASN A 67 10.079 -8.075 6.608 1.00 0.00 N ATOM 1050 CA ASN A 67 11.492 -8.266 6.315 1.00 0.00 C ATOM 1051 C ASN A 67 11.776 -7.950 4.853 1.00 0.00 C ATOM 1052 O ASN A 67 11.337 -8.668 3.955 1.00 0.00 O ATOM 1053 CB ASN A 67 11.915 -9.702 6.637 1.00 0.00 C ATOM 1054 CG ASN A 67 12.872 -9.773 7.809 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.870 -10.493 7.770 1.00 0.00 O ATOM 1056 ND2 ASN A 67 12.573 -9.024 8.865 1.00 0.00 N ATOM 0 H ASN A 67 9.454 -8.337 5.845 1.00 0.00 H new ATOM 0 HA ASN A 67 12.070 -7.584 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.029 -10.298 6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.386 -10.145 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.181 -9.032 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.736 -8.441 8.856 1.00 0.00 H new ATOM 1063 N LEU A 68 12.502 -6.865 4.621 1.00 0.00 N ATOM 1064 CA LEU A 68 12.835 -6.440 3.274 1.00 0.00 C ATOM 1065 C LEU A 68 13.492 -7.557 2.477 1.00 0.00 C ATOM 1066 O LEU A 68 14.213 -8.393 3.024 1.00 0.00 O ATOM 1067 CB LEU A 68 13.744 -5.219 3.331 1.00 0.00 C ATOM 1068 CG LEU A 68 13.010 -3.911 3.609 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.868 -2.980 4.449 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.601 -3.246 2.307 1.00 0.00 C ATOM 0 H LEU A 68 12.872 -6.262 5.355 1.00 0.00 H new ATOM 0 HA LEU A 68 11.909 -6.179 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.495 -5.374 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.276 -5.131 2.384 1.00 0.00 H new ATOM 0 HG LEU A 68 12.106 -4.136 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.325 -2.053 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.103 -3.460 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.793 -2.758 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.078 -2.314 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.489 -3.034 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.941 -3.911 1.750 1.00 0.00 H new ATOM 1082 N THR A 69 13.230 -7.558 1.178 1.00 0.00 N ATOM 1083 CA THR A 69 13.781 -8.565 0.279 1.00 0.00 C ATOM 1084 C THR A 69 14.031 -7.977 -1.108 1.00 0.00 C ATOM 1085 O THR A 69 13.471 -6.939 -1.463 1.00 0.00 O ATOM 1086 CB THR A 69 12.833 -9.761 0.179 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.487 -9.330 0.090 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.937 -10.704 1.359 1.00 0.00 C ATOM 0 H THR A 69 12.635 -6.868 0.719 1.00 0.00 H new ATOM 0 HA THR A 69 14.734 -8.901 0.687 1.00 0.00 H new ATOM 0 HB THR A 69 13.135 -10.295 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.897 -10.110 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.239 -11.531 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.953 -11.094 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.694 -10.167 2.276 1.00 0.00 H new ATOM 1096 N ARG A 70 14.874 -8.647 -1.888 1.00 0.00 N ATOM 1097 CA ARG A 70 15.203 -8.188 -3.240 1.00 0.00 C ATOM 1098 C ARG A 70 13.938 -7.895 -4.044 1.00 0.00 C ATOM 1099 O ARG A 70 13.757 -6.788 -4.551 1.00 0.00 O ATOM 1100 CB ARG A 70 16.052 -9.232 -3.978 1.00 0.00 C ATOM 1101 CG ARG A 70 17.064 -9.954 -3.096 1.00 0.00 C ATOM 1102 CD ARG A 70 16.621 -11.377 -2.789 1.00 0.00 C ATOM 1103 NE ARG A 70 17.276 -12.352 -3.656 1.00 0.00 N ATOM 1104 CZ ARG A 70 18.564 -12.678 -3.566 1.00 0.00 C ATOM 1105 NH1 ARG A 70 19.338 -12.107 -2.651 1.00 0.00 N ATOM 1106 NH2 ARG A 70 19.080 -13.576 -4.394 1.00 0.00 N ATOM 0 H ARG A 70 15.343 -9.509 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 70 15.777 -7.267 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.388 -9.970 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.583 -8.741 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 70 18.034 -9.973 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.194 -9.403 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.844 -11.610 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.540 -11.454 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 70 16.714 -12.811 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.947 -11.415 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 70 20.324 -12.361 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.490 -14.017 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 70 20.067 -13.826 -4.325 1.00 0.00 H new ATOM 1120 N ASP A 71 13.069 -8.893 -4.158 1.00 0.00 N ATOM 1121 CA ASP A 71 11.821 -8.744 -4.901 1.00 0.00 C ATOM 1122 C ASP A 71 11.020 -7.538 -4.411 1.00 0.00 C ATOM 1123 O ASP A 71 10.186 -7.001 -5.140 1.00 0.00 O ATOM 1124 CB ASP A 71 10.977 -10.015 -4.778 1.00 0.00 C ATOM 1125 CG ASP A 71 9.683 -9.930 -5.566 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.740 -10.017 -6.812 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.614 -9.777 -4.939 1.00 0.00 O ATOM 0 H ASP A 71 13.205 -9.816 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 71 12.075 -8.579 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.557 -10.868 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.748 -10.195 -3.728 1.00 0.00 H new ATOM 1132 N ASP A 72 11.275 -7.114 -3.175 1.00 0.00 N ATOM 1133 CA ASP A 72 10.568 -5.973 -2.603 1.00 0.00 C ATOM 1134 C ASP A 72 11.166 -4.651 -3.084 1.00 0.00 C ATOM 1135 O ASP A 72 10.548 -3.596 -2.945 1.00 0.00 O ATOM 1136 CB ASP A 72 10.598 -6.041 -1.075 1.00 0.00 C ATOM 1137 CG ASP A 72 9.236 -5.793 -0.457 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.417 -6.736 -0.430 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.987 -4.657 -0.001 1.00 0.00 O ATOM 0 H ASP A 72 11.962 -7.541 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 72 9.533 -6.017 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.961 -7.021 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.306 -5.304 -0.695 1.00 0.00 H new ATOM 1144 N SER A 73 12.369 -4.710 -3.653 1.00 0.00 N ATOM 1145 CA SER A 73 13.035 -3.514 -4.154 1.00 0.00 C ATOM 1146 C SER A 73 12.511 -3.149 -5.539 1.00 0.00 C ATOM 1147 O SER A 73 12.601 -3.946 -6.473 1.00 0.00 O ATOM 1148 CB SER A 73 14.548 -3.733 -4.212 1.00 0.00 C ATOM 1149 OG SER A 73 15.245 -2.500 -4.141 1.00 0.00 O ATOM 0 H SER A 73 12.900 -5.572 -3.777 1.00 0.00 H new ATOM 0 HA SER A 73 12.821 -2.692 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.857 -4.377 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.809 -4.249 -5.136 1.00 0.00 H new ATOM 0 HG SER A 73 16.210 -2.667 -4.178 1.00 0.00 H new ATOM 1155 N GLY A 74 11.959 -1.946 -5.668 1.00 0.00 N ATOM 1156 CA GLY A 74 11.429 -1.516 -6.942 1.00 0.00 C ATOM 1157 C GLY A 74 10.454 -0.356 -6.802 1.00 0.00 C ATOM 1158 O GLY A 74 10.642 0.513 -5.952 1.00 0.00 O ATOM 0 H GLY A 74 11.871 -1.266 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.251 -1.220 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.926 -2.354 -7.425 1.00 0.00 H new ATOM 1162 N THR A 75 9.415 -0.333 -7.637 1.00 0.00 N ATOM 1163 CA THR A 75 8.421 0.740 -7.597 1.00 0.00 C ATOM 1164 C THR A 75 7.050 0.191 -7.200 1.00 0.00 C ATOM 1165 O THR A 75 6.575 -0.792 -7.769 1.00 0.00 O ATOM 1166 CB THR A 75 8.354 1.422 -8.969 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.411 2.354 -9.114 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.059 2.160 -9.228 1.00 0.00 C ATOM 0 H THR A 75 9.240 -1.043 -8.348 1.00 0.00 H new ATOM 0 HA THR A 75 8.716 1.474 -6.847 1.00 0.00 H new ATOM 0 HB THR A 75 8.431 0.608 -9.690 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.354 2.779 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.091 2.614 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.225 1.460 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.927 2.938 -8.476 1.00 0.00 H new ATOM 1176 N TYR A 76 6.415 0.842 -6.227 1.00 0.00 N ATOM 1177 CA TYR A 76 5.095 0.427 -5.762 1.00 0.00 C ATOM 1178 C TYR A 76 4.037 1.425 -6.219 1.00 0.00 C ATOM 1179 O TYR A 76 4.220 2.635 -6.093 1.00 0.00 O ATOM 1180 CB TYR A 76 5.074 0.307 -4.236 1.00 0.00 C ATOM 1181 CG TYR A 76 5.850 -0.878 -3.702 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.231 -0.945 -3.838 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.203 -1.927 -3.059 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.945 -2.021 -3.350 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.912 -3.007 -2.567 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.282 -3.049 -2.715 1.00 0.00 C ATOM 1187 OH TYR A 76 7.990 -4.124 -2.227 1.00 0.00 O ATOM 0 H TYR A 76 6.794 1.658 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 76 4.872 -0.550 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.483 1.221 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.039 0.231 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.755 -0.141 -4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.130 -1.898 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.018 -2.057 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.395 -3.814 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 76 8.353 -3.903 -1.344 1.00 0.00 H new ATOM 1197 N ASN A 77 2.935 0.914 -6.759 1.00 0.00 N ATOM 1198 CA ASN A 77 1.858 1.771 -7.244 1.00 0.00 C ATOM 1199 C ASN A 77 0.581 1.577 -6.431 1.00 0.00 C ATOM 1200 O ASN A 77 0.069 0.461 -6.318 1.00 0.00 O ATOM 1201 CB ASN A 77 1.577 1.479 -8.720 1.00 0.00 C ATOM 1202 CG ASN A 77 2.405 2.342 -9.651 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.387 3.569 -9.559 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.136 1.702 -10.557 1.00 0.00 N ATOM 0 H ASN A 77 2.764 -0.085 -6.872 1.00 0.00 H new ATOM 0 HA ASN A 77 2.181 2.806 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.783 0.428 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.519 1.642 -8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.713 2.230 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.121 0.683 -10.597 1.00 0.00 H new ATOM 1211 N VAL A 78 0.063 2.673 -5.880 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.165 2.617 -5.095 1.00 0.00 C ATOM 1213 C VAL A 78 -2.335 3.227 -5.858 1.00 0.00 C ATOM 1214 O VAL A 78 -2.225 4.324 -6.414 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.060 3.347 -3.735 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.867 2.599 -2.684 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.389 3.527 -3.287 1.00 0.00 C ATOM 0 H VAL A 78 0.472 3.604 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.331 1.556 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.475 4.347 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.789 3.118 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.912 2.557 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.478 1.586 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.412 4.044 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.862 2.550 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.929 4.115 -4.029 1.00 0.00 H new ATOM 1227 N THR A 79 -3.463 2.520 -5.854 1.00 0.00 N ATOM 1228 CA THR A 79 -4.673 2.991 -6.516 1.00 0.00 C ATOM 1229 C THR A 79 -5.784 3.169 -5.489 1.00 0.00 C ATOM 1230 O THR A 79 -6.466 2.213 -5.120 1.00 0.00 O ATOM 1231 CB THR A 79 -5.111 2.014 -7.612 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.113 1.035 -7.842 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.399 2.695 -8.930 1.00 0.00 C ATOM 0 H THR A 79 -3.562 1.614 -5.396 1.00 0.00 H new ATOM 0 HA THR A 79 -4.462 3.952 -6.986 1.00 0.00 H new ATOM 0 HB THR A 79 -6.030 1.557 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.529 0.219 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.704 1.950 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.200 3.422 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.501 3.204 -9.280 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.947 4.399 -5.020 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.960 4.713 -4.019 1.00 0.00 C ATOM 1243 C VAL A 80 -8.303 5.024 -4.671 1.00 0.00 C ATOM 1244 O VAL A 80 -8.390 5.879 -5.550 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.522 5.913 -3.144 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.638 6.344 -2.201 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.259 5.581 -2.354 1.00 0.00 C ATOM 0 H VAL A 80 -5.389 5.199 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.072 3.833 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.302 6.744 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.301 7.188 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.512 6.639 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.901 5.514 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.973 6.440 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.450 4.726 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.451 5.339 -3.044 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.348 4.330 -4.227 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.691 4.544 -4.761 1.00 0.00 C ATOM 1259 C TYR A 81 -11.596 5.148 -3.704 1.00 0.00 C ATOM 1260 O TYR A 81 -11.427 4.913 -2.502 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.335 3.250 -5.246 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.754 2.662 -6.520 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -9.418 2.835 -6.870 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -11.564 1.931 -7.379 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -8.912 2.296 -8.038 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -11.063 1.388 -8.547 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.738 1.575 -8.872 1.00 0.00 C ATOM 1268 OH TYR A 81 -9.236 1.037 -10.035 1.00 0.00 O ATOM 0 H TYR A 81 -9.291 3.616 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.578 5.222 -5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.253 2.506 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.398 3.432 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.767 3.399 -6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.605 1.784 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.873 2.440 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.707 0.820 -9.202 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.948 0.558 -10.508 1.00 0.00 H new ATOM 1278 N SER A 82 -12.569 5.902 -4.182 1.00 0.00 N ATOM 1279 CA SER A 82 -13.545 6.565 -3.325 1.00 0.00 C ATOM 1280 C SER A 82 -14.795 5.710 -3.149 1.00 0.00 C ATOM 1281 O SER A 82 -14.901 4.620 -3.712 1.00 0.00 O ATOM 1282 CB SER A 82 -13.926 7.925 -3.912 1.00 0.00 C ATOM 1283 OG SER A 82 -13.380 8.098 -5.209 1.00 0.00 O ATOM 0 H SER A 82 -12.708 6.075 -5.178 1.00 0.00 H new ATOM 0 HA SER A 82 -13.088 6.709 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.012 8.012 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.569 8.719 -3.256 1.00 0.00 H new ATOM 0 HG SER A 82 -13.641 8.975 -5.560 1.00 0.00 H new ATOM 1289 N THR A 83 -15.740 6.217 -2.366 1.00 0.00 N ATOM 1290 CA THR A 83 -16.990 5.507 -2.112 1.00 0.00 C ATOM 1291 C THR A 83 -17.850 5.443 -3.372 1.00 0.00 C ATOM 1292 O THR A 83 -18.701 4.563 -3.507 1.00 0.00 O ATOM 1293 CB THR A 83 -17.767 6.188 -0.986 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.053 7.535 -1.317 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.030 6.188 0.335 1.00 0.00 C ATOM 0 H THR A 83 -15.665 7.119 -1.895 1.00 0.00 H new ATOM 0 HA THR A 83 -16.744 4.489 -1.812 1.00 0.00 H new ATOM 0 HB THR A 83 -18.682 5.606 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.552 7.953 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.637 6.687 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 83 -16.837 5.161 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.083 6.717 0.224 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.626 6.379 -4.289 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.386 6.424 -5.534 1.00 0.00 C ATOM 1305 C ASN A 84 -17.921 5.349 -6.516 1.00 0.00 C ATOM 1306 O ASN A 84 -18.512 5.173 -7.580 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.261 7.805 -6.181 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.138 8.841 -5.506 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -18.690 9.569 -4.620 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.397 8.911 -5.921 1.00 0.00 N ATOM 0 H ASN A 84 -16.926 7.115 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.430 6.230 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.221 8.130 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.531 7.735 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.035 9.588 -5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.726 8.288 -6.658 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.861 4.630 -6.154 1.00 0.00 N ATOM 1318 CA GLY A 85 -16.345 3.586 -7.019 1.00 0.00 C ATOM 1319 C GLY A 85 -15.398 4.119 -8.078 1.00 0.00 C ATOM 1320 O GLY A 85 -15.225 3.506 -9.131 1.00 0.00 O ATOM 0 H GLY A 85 -16.352 4.753 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.826 2.842 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.178 3.077 -7.505 1.00 0.00 H new ATOM 1324 N THR A 86 -14.783 5.264 -7.797 1.00 0.00 N ATOM 1325 CA THR A 86 -13.847 5.879 -8.731 1.00 0.00 C ATOM 1326 C THR A 86 -12.430 5.851 -8.170 1.00 0.00 C ATOM 1327 O THR A 86 -12.169 5.212 -7.151 1.00 0.00 O ATOM 1328 CB THR A 86 -14.265 7.321 -9.035 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.504 7.627 -8.419 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.408 7.602 -10.515 1.00 0.00 C ATOM 0 H THR A 86 -14.916 5.784 -6.930 1.00 0.00 H new ATOM 0 HA THR A 86 -13.864 5.306 -9.658 1.00 0.00 H new ATOM 0 HB THR A 86 -13.463 7.943 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.752 8.553 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.706 8.640 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.455 7.424 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.167 6.944 -10.939 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.519 6.551 -8.837 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.128 6.606 -8.399 1.00 0.00 C ATOM 1340 C ARG A 87 -9.814 7.956 -7.758 1.00 0.00 C ATOM 1341 O ARG A 87 -9.863 8.996 -8.415 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.183 6.346 -9.575 1.00 0.00 C ATOM 1343 CG ARG A 87 -7.710 6.457 -9.211 1.00 0.00 C ATOM 1344 CD ARG A 87 -6.822 6.311 -10.437 1.00 0.00 C ATOM 1345 NE ARG A 87 -7.002 5.018 -11.091 1.00 0.00 N ATOM 1346 CZ ARG A 87 -6.567 4.742 -12.319 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -5.928 5.665 -13.027 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -6.772 3.540 -12.840 1.00 0.00 N ATOM 0 H ARG A 87 -11.718 7.087 -9.681 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.978 5.827 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.376 5.349 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.406 7.055 -10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.523 7.420 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.455 5.688 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.046 7.109 -11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.778 6.428 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.489 4.284 -10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.768 6.591 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.597 5.448 -13.967 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.263 2.827 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.439 3.328 -13.781 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.496 7.926 -6.469 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.176 9.136 -5.723 1.00 0.00 C ATOM 1364 C ILE A 88 -7.748 9.598 -6.000 1.00 0.00 C ATOM 1365 O ILE A 88 -7.517 10.762 -6.326 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.350 8.915 -4.204 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.797 8.532 -3.890 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.941 10.156 -3.419 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.036 8.227 -2.428 1.00 0.00 C ATOM 0 H ILE A 88 -9.453 7.070 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.870 9.908 -6.056 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.696 8.098 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.455 9.346 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.071 7.660 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.074 9.972 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.895 10.385 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.562 10.999 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.083 7.963 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.404 7.393 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.794 9.105 -1.829 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.790 8.687 -5.854 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.390 9.028 -6.078 1.00 0.00 C ATOM 1383 C LEU A 89 -4.575 7.819 -6.535 1.00 0.00 C ATOM 1384 O LEU A 89 -4.686 6.727 -5.977 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.786 9.615 -4.794 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.274 9.421 -4.621 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.677 10.571 -3.826 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.981 8.089 -3.942 1.00 0.00 C ATOM 0 H LEU A 89 -6.955 7.717 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.351 9.770 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.002 10.683 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.291 9.167 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.812 9.411 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.604 10.417 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.855 11.509 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.143 10.613 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.904 7.968 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.455 8.069 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.375 7.276 -4.552 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.732 8.046 -7.535 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.855 7.010 -8.065 1.00 0.00 C ATOM 1402 C ASN A 90 -1.408 7.440 -7.866 1.00 0.00 C ATOM 1403 O ASN A 90 -0.929 8.358 -8.532 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.139 6.770 -9.551 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.323 5.300 -9.875 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.195 4.930 -10.660 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.498 4.452 -9.271 1.00 0.00 N ATOM 0 H ASN A 90 -3.637 8.949 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.037 6.076 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.036 7.318 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.317 7.170 -10.144 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.574 3.451 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.789 4.802 -8.627 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.722 6.804 -6.921 1.00 0.00 N ATOM 1415 CA LYS A 91 0.662 7.174 -6.624 1.00 0.00 C ATOM 1416 C LYS A 91 1.649 6.049 -6.915 1.00 0.00 C ATOM 1417 O LYS A 91 1.291 4.871 -6.929 1.00 0.00 O ATOM 1418 CB LYS A 91 0.792 7.601 -5.160 1.00 0.00 C ATOM 1419 CG LYS A 91 -0.035 8.823 -4.804 1.00 0.00 C ATOM 1420 CD LYS A 91 0.787 10.098 -4.890 1.00 0.00 C ATOM 1421 CE LYS A 91 0.931 10.573 -6.327 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.547 11.927 -6.406 1.00 0.00 N ATOM 0 H LYS A 91 -1.093 6.041 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 91 0.912 8.006 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.491 6.771 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.840 7.807 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.889 8.894 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.433 8.713 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.314 10.878 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.775 9.925 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.542 9.863 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.049 10.592 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.628 12.214 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.951 12.610 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.493 11.904 -5.975 1.00 0.00 H new ATOM 1436 N ALA A 92 2.902 6.441 -7.130 1.00 0.00 N ATOM 1437 CA ALA A 92 3.980 5.504 -7.405 1.00 0.00 C ATOM 1438 C ALA A 92 5.237 5.912 -6.644 1.00 0.00 C ATOM 1439 O ALA A 92 5.727 7.030 -6.797 1.00 0.00 O ATOM 1440 CB ALA A 92 4.259 5.450 -8.897 1.00 0.00 C ATOM 0 H ALA A 92 3.195 7.418 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 92 3.678 4.511 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.068 4.745 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.361 5.126 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.548 6.440 -9.249 1.00 0.00 H new ATOM 1446 N LEU A 93 5.748 5.010 -5.814 1.00 0.00 N ATOM 1447 CA LEU A 93 6.941 5.298 -5.021 1.00 0.00 C ATOM 1448 C LEU A 93 8.088 4.358 -5.374 1.00 0.00 C ATOM 1449 O LEU A 93 7.873 3.275 -5.920 1.00 0.00 O ATOM 1450 CB LEU A 93 6.624 5.185 -3.527 1.00 0.00 C ATOM 1451 CG LEU A 93 5.232 5.671 -3.118 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.176 4.639 -3.486 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.190 5.967 -1.626 1.00 0.00 C ATOM 0 H LEU A 93 5.359 4.078 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 93 7.252 6.317 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.730 4.142 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.368 5.754 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 93 5.016 6.592 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.193 5.002 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.190 4.473 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.388 3.702 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.193 6.312 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.427 5.061 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.920 6.741 -1.388 1.00 0.00 H new ATOM 1465 N ASP A 94 9.306 4.779 -5.048 1.00 0.00 N ATOM 1466 CA ASP A 94 10.495 3.980 -5.316 1.00 0.00 C ATOM 1467 C ASP A 94 11.076 3.437 -4.012 1.00 0.00 C ATOM 1468 O ASP A 94 11.595 4.196 -3.191 1.00 0.00 O ATOM 1469 CB ASP A 94 11.547 4.818 -6.047 1.00 0.00 C ATOM 1470 CG ASP A 94 11.107 5.204 -7.446 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.406 6.228 -7.587 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.466 4.483 -8.401 1.00 0.00 O ATOM 0 H ASP A 94 9.495 5.673 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 94 10.210 3.141 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.753 5.721 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.480 4.257 -6.104 1.00 0.00 H new ATOM 1477 N LEU A 95 10.976 2.126 -3.819 1.00 0.00 N ATOM 1478 CA LEU A 95 11.482 1.492 -2.609 1.00 0.00 C ATOM 1479 C LEU A 95 12.819 0.798 -2.870 1.00 0.00 C ATOM 1480 O LEU A 95 12.853 -0.314 -3.404 1.00 0.00 O ATOM 1481 CB LEU A 95 10.465 0.470 -2.088 1.00 0.00 C ATOM 1482 CG LEU A 95 10.158 0.552 -0.591 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.210 -0.560 -0.176 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.438 0.487 0.227 1.00 0.00 C ATOM 0 H LEU A 95 10.549 1.483 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 95 11.636 2.268 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.534 0.596 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.835 -0.531 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 95 9.674 1.510 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.005 -0.484 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.277 -0.469 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.667 -1.526 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.195 0.547 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.952 -0.453 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.086 1.320 -0.045 1.00 0.00 H new ATOM 1496 N ARG A 96 13.916 1.453 -2.490 1.00 0.00 N ATOM 1497 CA ARG A 96 15.247 0.881 -2.682 1.00 0.00 C ATOM 1498 C ARG A 96 15.717 0.161 -1.421 1.00 0.00 C ATOM 1499 O ARG A 96 15.766 0.746 -0.333 1.00 0.00 O ATOM 1500 CB ARG A 96 16.264 1.956 -3.092 1.00 0.00 C ATOM 1501 CG ARG A 96 15.639 3.255 -3.583 1.00 0.00 C ATOM 1502 CD ARG A 96 14.838 3.040 -4.859 1.00 0.00 C ATOM 1503 NE ARG A 96 15.500 2.115 -5.776 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.602 2.411 -6.461 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.170 3.604 -6.334 1.00 0.00 N ATOM 1506 NH2 ARG A 96 17.140 1.511 -7.274 1.00 0.00 N ATOM 0 H ARG A 96 13.909 2.373 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 96 15.177 0.154 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.907 2.175 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.903 1.554 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.989 3.663 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.422 3.992 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.851 2.654 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.687 3.998 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 96 15.094 1.188 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.762 4.299 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.015 3.826 -6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.709 0.592 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.985 1.738 -7.799 1.00 0.00 H new ATOM 1520 N ILE A 97 16.049 -1.118 -1.573 1.00 0.00 N ATOM 1521 CA ILE A 97 16.499 -1.931 -0.450 1.00 0.00 C ATOM 1522 C ILE A 97 17.991 -2.229 -0.523 1.00 0.00 C ATOM 1523 O ILE A 97 18.460 -2.888 -1.451 1.00 0.00 O ATOM 1524 CB ILE A 97 15.740 -3.272 -0.381 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.287 -3.102 -0.832 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.802 -3.838 1.028 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.575 -1.942 -0.172 1.00 0.00 C ATOM 0 H ILE A 97 16.014 -1.613 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 97 16.292 -1.344 0.445 1.00 0.00 H new ATOM 0 HB ILE A 97 16.221 -3.975 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.266 -2.962 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.740 -4.021 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.263 -4.785 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.842 -4.002 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.345 -3.134 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.551 -1.886 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.563 -2.089 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.097 -1.014 -0.406 1.00 0.00 H new ATOM 1539 N LEU A 98 18.728 -1.751 0.473 1.00 0.00 N ATOM 1540 CA LEU A 98 20.149 -1.966 0.550 1.00 0.00 C ATOM 1541 C LEU A 98 20.448 -3.399 0.978 1.00 0.00 C ATOM 1542 O LEU A 98 19.988 -3.857 2.027 1.00 0.00 O ATOM 1543 CB LEU A 98 20.738 -0.980 1.550 1.00 0.00 C ATOM 1544 CG LEU A 98 21.246 0.325 0.944 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.827 1.226 2.024 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.280 0.046 -0.136 1.00 0.00 C ATOM 0 H LEU A 98 18.347 -1.204 1.245 1.00 0.00 H new ATOM 0 HA LEU A 98 20.598 -1.808 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.979 -0.746 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.562 -1.465 2.074 1.00 0.00 H new ATOM 0 HG LEU A 98 20.403 0.842 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.184 2.152 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.056 1.455 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.657 0.718 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.630 0.989 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.122 -0.494 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.829 -0.557 -0.924 1.00 0.00 H new ATOM 1558 N GLU A 99 21.214 -4.101 0.154 1.00 0.00 N ATOM 1559 CA GLU A 99 21.577 -5.484 0.437 1.00 0.00 C ATOM 1560 C GLU A 99 22.879 -5.555 1.229 1.00 0.00 C ATOM 1561 O GLU A 99 23.527 -4.501 1.396 1.00 0.00 O ATOM 1562 CB GLU A 99 21.717 -6.272 -0.867 1.00 0.00 C ATOM 1563 CG GLU A 99 20.403 -6.461 -1.607 1.00 0.00 C ATOM 1564 CD GLU A 99 20.582 -6.501 -3.112 1.00 0.00 C ATOM 1565 OE1 GLU A 99 21.707 -6.793 -3.568 1.00 0.00 O ATOM 1566 OE2 GLU A 99 19.597 -6.240 -3.835 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.239 -6.665 1.676 1.00 0.00 O ATOM 0 H GLU A 99 21.597 -3.735 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 99 20.783 -5.926 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.421 -5.756 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.144 -7.250 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.934 -7.387 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.724 -5.649 -1.347 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.090 4.775 7.042 1.00 0.00 CA