USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=24 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= -0.259 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.153 USER MOD Set 2.1: A 51 LYS NZ :NH3+ 158:sc= 0.736 (180deg=-1.15!) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.254 USER MOD Single : A 1 ARG N :NH3+ -145:sc= 0.00156 (180deg=-0.375) USER MOD Single : A 3 SER OG : rot 44:sc= 0.352 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -6.02! C(o=-6.7!,f=-6!) USER MOD Single : A 20 ASN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 22 GLN : amide:sc= -6.59! C(o=-6.6!,f=-13!) USER MOD Single : A 23 MET CE :methyl -114:sc= -0.0143 (180deg=-1.22) 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= -0.0509 USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= -0.363 (180deg=-3.38!) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.26) 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 60 ASN :FLIP amide:sc= -3.13! C(o=-4.9!,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= -1.12 K(o=-1.1,f=-2.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 73 SER OG : rot 68:sc= -0.123 USER MOD Single : A 75 THR OG1 : rot -129:sc= -0.592 USER MOD Single : A 76 TYR OH : rot -34:sc= -0.56 USER MOD Single : A 77 ASN : amide:sc= -3.67! C(o=-3.7!,f=-6.7!) USER MOD Single : A 79 THR OG1 : rot -160:sc= -1.59 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.277 F(o=-1.2,f=-0.28) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.0876) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.340 15.569 -6.726 1.00 0.00 N ATOM 2 CA ARG A 1 9.984 16.151 -6.555 1.00 0.00 C ATOM 3 C ARG A 1 8.918 15.259 -7.184 1.00 0.00 C ATOM 4 O ARG A 1 9.215 14.440 -8.053 1.00 0.00 O ATOM 5 CB ARG A 1 9.964 17.536 -7.203 1.00 0.00 C ATOM 6 CG ARG A 1 11.130 18.419 -6.788 1.00 0.00 C ATOM 7 CD ARG A 1 10.732 19.886 -6.753 1.00 0.00 C ATOM 8 NE ARG A 1 11.475 20.630 -5.737 1.00 0.00 N ATOM 9 CZ ARG A 1 11.173 21.870 -5.359 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.147 22.508 -5.908 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.901 22.474 -4.429 1.00 0.00 N ATOM 0 H1 ARG A 1 11.918 15.783 -5.888 1.00 0.00 H new ATOM 0 H2 ARG A 1 11.263 14.538 -6.840 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.789 15.978 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 1 9.759 16.230 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.974 17.421 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.031 18.036 -6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.487 18.114 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.958 18.282 -7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.908 20.333 -7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.664 19.967 -6.553 1.00 0.00 H new ATOM 0 HE ARG A 1 12.271 20.172 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 1 9.585 22.048 -6.624 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.921 23.458 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.691 21.988 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.671 23.424 -4.138 1.00 0.00 H new ATOM 27 N ASP A 2 7.676 15.428 -6.740 1.00 0.00 N ATOM 28 CA ASP A 2 6.562 14.640 -7.259 1.00 0.00 C ATOM 29 C ASP A 2 6.738 13.161 -6.925 1.00 0.00 C ATOM 30 O ASP A 2 6.122 12.649 -5.990 1.00 0.00 O ATOM 31 CB ASP A 2 6.436 14.826 -8.773 1.00 0.00 C ATOM 32 CG ASP A 2 5.436 15.905 -9.141 1.00 0.00 C ATOM 33 OD1 ASP A 2 4.426 16.050 -8.422 1.00 0.00 O ATOM 34 OD2 ASP A 2 5.663 16.607 -10.150 1.00 0.00 O ATOM 0 H ASP A 2 7.415 16.104 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 2 5.648 14.993 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.411 15.081 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.133 13.883 -9.228 1.00 0.00 H new ATOM 39 N SER A 3 7.580 12.480 -7.696 1.00 0.00 N ATOM 40 CA SER A 3 7.835 11.060 -7.480 1.00 0.00 C ATOM 41 C SER A 3 8.942 10.857 -6.450 1.00 0.00 C ATOM 42 O SER A 3 10.127 10.949 -6.771 1.00 0.00 O ATOM 43 CB SER A 3 8.218 10.384 -8.797 1.00 0.00 C ATOM 44 OG SER A 3 9.259 11.090 -9.450 1.00 0.00 O ATOM 0 H SER A 3 8.097 12.888 -8.475 1.00 0.00 H new ATOM 0 HA SER A 3 6.921 10.606 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.535 9.359 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.346 10.331 -9.449 1.00 0.00 H new ATOM 0 HG SER A 3 9.941 11.347 -8.795 1.00 0.00 H new ATOM 50 N GLY A 4 8.546 10.579 -5.212 1.00 0.00 N ATOM 51 CA GLY A 4 9.516 10.366 -4.154 1.00 0.00 C ATOM 52 C GLY A 4 10.235 9.038 -4.284 1.00 0.00 C ATOM 53 O GLY A 4 9.766 8.137 -4.979 1.00 0.00 O ATOM 0 H GLY A 4 7.571 10.497 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.247 11.174 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.011 10.409 -3.189 1.00 0.00 H new ATOM 57 N THR A 5 11.377 8.918 -3.614 1.00 0.00 N ATOM 58 CA THR A 5 12.163 7.690 -3.658 1.00 0.00 C ATOM 59 C THR A 5 12.661 7.316 -2.267 1.00 0.00 C ATOM 60 O THR A 5 13.395 8.074 -1.634 1.00 0.00 O ATOM 61 CB THR A 5 13.346 7.852 -4.612 1.00 0.00 C ATOM 62 OG1 THR A 5 12.896 8.133 -5.926 1.00 0.00 O ATOM 63 CG2 THR A 5 14.228 6.625 -4.681 1.00 0.00 C ATOM 0 H THR A 5 11.778 9.655 -3.035 1.00 0.00 H new ATOM 0 HA THR A 5 11.521 6.888 -4.022 1.00 0.00 H new ATOM 0 HB THR A 5 13.931 8.679 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.668 8.235 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.049 6.805 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.631 6.410 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.641 5.774 -5.026 1.00 0.00 H new ATOM 71 N VAL A 6 12.246 6.147 -1.792 1.00 0.00 N ATOM 72 CA VAL A 6 12.623 5.674 -0.493 1.00 0.00 C ATOM 73 C VAL A 6 13.792 4.693 -0.545 1.00 0.00 C ATOM 74 O VAL A 6 14.302 4.343 -1.614 1.00 0.00 O ATOM 75 CB VAL A 6 11.441 4.986 0.179 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.479 6.006 0.766 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.727 4.048 -0.771 1.00 0.00 C ATOM 0 H VAL A 6 11.639 5.510 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 6 12.936 6.548 0.079 1.00 0.00 H new ATOM 0 HB VAL A 6 11.835 4.383 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.645 5.489 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.999 6.611 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.103 6.650 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.890 3.576 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.355 4.611 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.421 3.281 -1.115 1.00 0.00 H new ATOM 87 N TRP A 7 14.196 4.253 0.636 1.00 0.00 N ATOM 88 CA TRP A 7 15.303 3.315 0.785 1.00 0.00 C ATOM 89 C TRP A 7 15.073 2.401 1.987 1.00 0.00 C ATOM 90 O TRP A 7 14.256 2.703 2.857 1.00 0.00 O ATOM 91 CB TRP A 7 16.617 4.084 0.957 1.00 0.00 C ATOM 92 CG TRP A 7 17.044 4.817 -0.278 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.547 6.002 -0.739 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.056 4.416 -1.208 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.186 6.360 -1.902 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.116 5.403 -2.211 1.00 0.00 C ATOM 97 CE3 TRP A 7 18.916 3.318 -1.293 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.002 5.325 -3.282 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.796 3.240 -2.357 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.833 4.239 -3.338 1.00 0.00 C ATOM 0 H TRP A 7 13.768 4.534 1.518 1.00 0.00 H new ATOM 0 HA TRP A 7 15.361 2.699 -0.113 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.508 4.797 1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.403 3.386 1.246 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.766 6.574 -0.260 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.998 7.202 -2.447 1.00 0.00 H new ATOM 0 HE3 TRP A 7 18.894 2.543 -0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.032 6.093 -4.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.465 2.396 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.532 4.150 -4.156 1.00 0.00 H new ATOM 111 N GLY A 8 15.793 1.284 2.032 1.00 0.00 N ATOM 112 CA GLY A 8 15.643 0.351 3.137 1.00 0.00 C ATOM 113 C GLY A 8 16.677 -0.759 3.104 1.00 0.00 C ATOM 114 O GLY A 8 17.499 -0.814 2.192 1.00 0.00 O ATOM 0 H GLY A 8 16.476 1.008 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.726 0.892 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.645 -0.086 3.107 1.00 0.00 H new ATOM 118 N ALA A 9 16.640 -1.648 4.096 1.00 0.00 N ATOM 119 CA ALA A 9 17.583 -2.756 4.158 1.00 0.00 C ATOM 120 C ALA A 9 16.853 -4.090 4.124 1.00 0.00 C ATOM 121 O ALA A 9 15.852 -4.280 4.814 1.00 0.00 O ATOM 122 CB ALA A 9 18.444 -2.659 5.406 1.00 0.00 C ATOM 0 H ALA A 9 15.969 -1.620 4.863 1.00 0.00 H new ATOM 0 HA ALA A 9 18.231 -2.696 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.141 -3.496 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.002 -1.723 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.807 -2.689 6.290 1.00 0.00 H new ATOM 128 N LEU A 10 17.359 -5.012 3.317 1.00 0.00 N ATOM 129 CA LEU A 10 16.748 -6.331 3.195 1.00 0.00 C ATOM 130 C LEU A 10 16.667 -7.019 4.550 1.00 0.00 C ATOM 131 O LEU A 10 17.634 -7.037 5.310 1.00 0.00 O ATOM 132 CB LEU A 10 17.545 -7.195 2.215 1.00 0.00 C ATOM 133 CG LEU A 10 16.707 -8.059 1.273 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.222 -7.239 0.087 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.515 -9.254 0.799 1.00 0.00 C ATOM 0 H LEU A 10 18.188 -4.873 2.739 1.00 0.00 H new ATOM 0 HA LEU A 10 15.735 -6.202 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.180 -6.543 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.207 -7.846 2.786 1.00 0.00 H new ATOM 0 HG LEU A 10 15.835 -8.422 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.627 -7.870 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.611 -6.410 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.080 -6.849 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.907 -9.862 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.402 -8.906 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.817 -9.853 1.658 1.00 0.00 H new ATOM 147 N GLY A 11 15.502 -7.580 4.845 1.00 0.00 N ATOM 148 CA GLY A 11 15.308 -8.256 6.108 1.00 0.00 C ATOM 149 C GLY A 11 14.937 -7.303 7.228 1.00 0.00 C ATOM 150 O GLY A 11 14.688 -7.734 8.354 1.00 0.00 O ATOM 0 H GLY A 11 14.688 -7.578 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.524 -9.005 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.221 -8.788 6.376 1.00 0.00 H new ATOM 154 N HIS A 12 14.898 -6.004 6.928 1.00 0.00 N ATOM 155 CA HIS A 12 14.552 -5.012 7.926 1.00 0.00 C ATOM 156 C HIS A 12 13.144 -4.479 7.662 1.00 0.00 C ATOM 157 O HIS A 12 12.554 -4.759 6.612 1.00 0.00 O ATOM 158 CB HIS A 12 15.623 -3.908 7.925 1.00 0.00 C ATOM 159 CG HIS A 12 15.115 -2.510 8.017 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.752 -1.659 7.043 1.00 0.00 N flip ATOM 161 CD2 HIS A 12 14.998 -1.818 9.202 1.00 0.00 C flip ATOM 162 CE1 HIS A 12 14.429 -0.466 7.642 1.00 0.00 C flip ATOM 163 NE2 HIS A 12 14.584 -0.589 8.948 1.00 0.00 N flip ATOM 0 H HIS A 12 15.102 -5.623 6.004 1.00 0.00 H new ATOM 0 HA HIS A 12 14.536 -5.453 8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.300 -4.084 8.761 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.212 -4.001 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.211 -2.216 10.183 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.102 0.426 7.129 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.413 0.139 9.641 1.00 0.00 H new ATOM 172 N GLY A 13 12.600 -3.744 8.627 1.00 0.00 N ATOM 173 CA GLY A 13 11.250 -3.213 8.494 1.00 0.00 C ATOM 174 C GLY A 13 11.193 -1.928 7.694 1.00 0.00 C ATOM 175 O GLY A 13 12.206 -1.273 7.492 1.00 0.00 O ATOM 0 H GLY A 13 13.069 -3.505 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.618 -3.960 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.837 -3.035 9.487 1.00 0.00 H new ATOM 179 N ILE A 14 10.002 -1.561 7.239 1.00 0.00 N ATOM 180 CA ILE A 14 9.835 -0.341 6.458 1.00 0.00 C ATOM 181 C ILE A 14 8.365 -0.090 6.135 1.00 0.00 C ATOM 182 O ILE A 14 7.624 -1.014 5.796 1.00 0.00 O ATOM 183 CB ILE A 14 10.658 -0.403 5.150 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.733 0.977 4.492 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.072 -1.424 4.184 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.987 1.745 4.853 1.00 0.00 C ATOM 0 H ILE A 14 9.142 -2.086 7.396 1.00 0.00 H new ATOM 0 HA ILE A 14 10.203 0.487 7.064 1.00 0.00 H new ATOM 0 HB ILE A 14 11.670 -0.719 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.687 0.859 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.861 1.560 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.670 -1.447 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.079 -2.410 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.047 -1.146 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.977 2.714 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.025 1.894 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.864 1.181 4.534 1.00 0.00 H new ATOM 198 N ASP A 15 7.945 1.167 6.250 1.00 0.00 N ATOM 199 CA ASP A 15 6.562 1.537 5.974 1.00 0.00 C ATOM 200 C ASP A 15 6.477 2.503 4.796 1.00 0.00 C ATOM 201 O ASP A 15 7.031 3.601 4.838 1.00 0.00 O ATOM 202 CB ASP A 15 5.929 2.173 7.214 1.00 0.00 C ATOM 203 CG ASP A 15 4.460 1.823 7.357 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.122 0.626 7.248 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.648 2.747 7.579 1.00 0.00 O ATOM 0 H ASP A 15 8.542 1.944 6.532 1.00 0.00 H new ATOM 0 HA ASP A 15 6.015 0.630 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.467 1.843 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.038 3.256 7.159 1.00 0.00 H new ATOM 210 N LEU A 16 5.770 2.088 3.748 1.00 0.00 N ATOM 211 CA LEU A 16 5.603 2.921 2.559 1.00 0.00 C ATOM 212 C LEU A 16 4.500 3.949 2.794 1.00 0.00 C ATOM 213 O LEU A 16 3.333 3.593 2.964 1.00 0.00 O ATOM 214 CB LEU A 16 5.262 2.045 1.338 1.00 0.00 C ATOM 215 CG LEU A 16 6.345 1.888 0.244 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.669 2.544 0.623 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.567 0.416 -0.071 1.00 0.00 C ATOM 0 H LEU A 16 5.304 1.182 3.697 1.00 0.00 H new ATOM 0 HA LEU A 16 6.538 3.445 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.004 1.050 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.368 2.456 0.869 1.00 0.00 H new ATOM 0 HG LEU A 16 5.974 2.404 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.389 2.401 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.513 3.610 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.052 2.090 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.331 0.320 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.893 -0.104 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.636 -0.024 -0.427 1.00 0.00 H new ATOM 229 N ASP A 17 4.877 5.224 2.817 1.00 0.00 N ATOM 230 CA ASP A 17 3.916 6.298 3.053 1.00 0.00 C ATOM 231 C ASP A 17 3.380 6.880 1.748 1.00 0.00 C ATOM 232 O ASP A 17 4.140 7.340 0.896 1.00 0.00 O ATOM 233 CB ASP A 17 4.554 7.407 3.888 1.00 0.00 C ATOM 234 CG ASP A 17 4.978 6.924 5.261 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.141 6.319 5.963 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.148 7.153 5.636 1.00 0.00 O ATOM 0 H ASP A 17 5.837 5.539 2.676 1.00 0.00 H new ATOM 0 HA ASP A 17 3.076 5.867 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.422 7.802 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.846 8.229 3.997 1.00 0.00 H new ATOM 241 N ILE A 18 2.060 6.863 1.616 1.00 0.00 N ATOM 242 CA ILE A 18 1.385 7.391 0.437 1.00 0.00 C ATOM 243 C ILE A 18 1.264 8.915 0.510 1.00 0.00 C ATOM 244 O ILE A 18 0.652 9.447 1.435 1.00 0.00 O ATOM 245 CB ILE A 18 -0.023 6.787 0.309 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.064 5.262 0.263 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.737 7.323 -0.927 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.129 4.614 -0.395 1.00 0.00 C ATOM 0 H ILE A 18 1.428 6.484 2.321 1.00 0.00 H new ATOM 0 HA ILE A 18 1.983 7.120 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.605 7.079 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.967 4.973 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.161 4.880 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.731 6.880 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.827 8.407 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.164 7.066 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.002 3.531 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.034 4.874 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.215 4.968 -1.422 1.00 0.00 H new ATOM 260 N PRO A 19 1.849 9.639 -0.461 1.00 0.00 N ATOM 261 CA PRO A 19 1.798 11.107 -0.484 1.00 0.00 C ATOM 262 C PRO A 19 0.370 11.653 -0.538 1.00 0.00 C ATOM 263 O PRO A 19 -0.439 11.238 -1.367 1.00 0.00 O ATOM 264 CB PRO A 19 2.560 11.478 -1.761 1.00 0.00 C ATOM 265 CG PRO A 19 3.406 10.288 -2.062 1.00 0.00 C ATOM 266 CD PRO A 19 2.614 9.100 -1.601 1.00 0.00 C ATOM 0 HA PRO A 19 2.225 11.533 0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.875 11.694 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.170 12.369 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.625 10.223 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.363 10.346 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.958 8.722 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.260 8.275 -1.301 1.00 0.00 H new ATOM 274 N ASN A 20 0.085 12.605 0.348 1.00 0.00 N ATOM 275 CA ASN A 20 -1.229 13.250 0.421 1.00 0.00 C ATOM 276 C ASN A 20 -2.392 12.261 0.286 1.00 0.00 C ATOM 277 O ASN A 20 -3.158 12.322 -0.677 1.00 0.00 O ATOM 278 CB ASN A 20 -1.340 14.326 -0.662 1.00 0.00 C ATOM 279 CG ASN A 20 -2.164 15.516 -0.213 1.00 0.00 C ATOM 280 OD1 ASN A 20 -3.214 15.810 -0.784 1.00 0.00 O ATOM 281 ND2 ASN A 20 -1.691 16.209 0.817 1.00 0.00 N ATOM 0 H ASN A 20 0.755 12.952 1.035 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.305 13.698 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.341 14.663 -0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.789 13.893 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.203 17.020 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.816 15.930 1.261 1.00 0.00 H new ATOM 288 N PHE A 21 -2.531 11.361 1.256 1.00 0.00 N ATOM 289 CA PHE A 21 -3.607 10.383 1.245 1.00 0.00 C ATOM 290 C PHE A 21 -4.141 10.154 2.658 1.00 0.00 C ATOM 291 O PHE A 21 -3.412 10.298 3.640 1.00 0.00 O ATOM 292 CB PHE A 21 -3.102 9.076 0.642 1.00 0.00 C ATOM 293 CG PHE A 21 -3.886 7.865 1.045 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.194 7.704 0.632 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.312 6.894 1.841 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.920 6.589 1.010 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.029 5.779 2.226 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.337 5.625 1.809 1.00 0.00 C ATOM 0 H PHE A 21 -1.908 11.292 2.061 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.427 10.763 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.120 9.160 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.061 8.934 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.654 8.456 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.289 7.008 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.942 6.472 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.568 5.029 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.902 4.754 2.107 1.00 0.00 H new ATOM 308 N GLN A 22 -5.418 9.797 2.751 1.00 0.00 N ATOM 309 CA GLN A 22 -6.050 9.548 4.041 1.00 0.00 C ATOM 310 C GLN A 22 -7.009 8.363 3.956 1.00 0.00 C ATOM 311 O GLN A 22 -7.988 8.398 3.212 1.00 0.00 O ATOM 312 CB GLN A 22 -6.799 10.795 4.515 1.00 0.00 C ATOM 313 CG GLN A 22 -6.572 11.119 5.983 1.00 0.00 C ATOM 314 CD GLN A 22 -7.239 10.121 6.909 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.106 8.910 6.735 1.00 0.00 O ATOM 316 NE2 GLN A 22 -7.962 10.626 7.903 1.00 0.00 N ATOM 0 H GLN A 22 -6.035 9.674 1.948 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.268 9.308 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.488 11.647 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.866 10.655 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.501 11.138 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.954 12.118 6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.046 11.637 8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.433 10.003 8.559 1.00 0.00 H new ATOM 325 N MET A 23 -6.719 7.317 4.723 1.00 0.00 N ATOM 326 CA MET A 23 -7.555 6.123 4.733 1.00 0.00 C ATOM 327 C MET A 23 -8.779 6.320 5.621 1.00 0.00 C ATOM 328 O MET A 23 -8.821 5.840 6.755 1.00 0.00 O ATOM 329 CB MET A 23 -6.749 4.915 5.215 1.00 0.00 C ATOM 330 CG MET A 23 -7.273 3.587 4.692 1.00 0.00 C ATOM 331 SD MET A 23 -7.197 2.273 5.924 1.00 0.00 S ATOM 332 CE MET A 23 -8.361 1.098 5.239 1.00 0.00 C ATOM 0 H MET A 23 -5.912 7.272 5.345 1.00 0.00 H new ATOM 0 HA MET A 23 -7.896 5.941 3.714 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.711 5.034 4.905 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.756 4.895 6.305 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.305 3.712 4.364 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.694 3.292 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.223 1.011 5.901 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.690 1.441 4.258 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.880 0.125 5.140 1.00 0.00 H new ATOM 342 N THR A 24 -9.774 7.029 5.099 1.00 0.00 N ATOM 343 CA THR A 24 -11.001 7.290 5.842 1.00 0.00 C ATOM 344 C THR A 24 -12.176 6.532 5.232 1.00 0.00 C ATOM 345 O THR A 24 -11.999 5.718 4.326 1.00 0.00 O ATOM 346 CB THR A 24 -11.301 8.790 5.861 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.624 9.253 4.562 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.147 9.625 6.372 1.00 0.00 C ATOM 0 H THR A 24 -9.754 7.434 4.163 1.00 0.00 H new ATOM 0 HA THR A 24 -10.859 6.943 6.865 1.00 0.00 H new ATOM 0 HB THR A 24 -12.143 8.907 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.814 10.214 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.426 10.678 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.905 9.326 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.277 9.473 5.733 1.00 0.00 H new ATOM 356 N ASP A 25 -13.377 6.806 5.735 1.00 0.00 N ATOM 357 CA ASP A 25 -14.581 6.150 5.239 1.00 0.00 C ATOM 358 C ASP A 25 -14.772 6.418 3.749 1.00 0.00 C ATOM 359 O ASP A 25 -15.326 5.591 3.025 1.00 0.00 O ATOM 360 CB ASP A 25 -15.806 6.630 6.018 1.00 0.00 C ATOM 361 CG ASP A 25 -15.625 6.503 7.517 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.592 6.981 8.034 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.515 5.926 8.176 1.00 0.00 O ATOM 0 H ASP A 25 -13.541 7.477 6.485 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.466 5.076 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.008 7.671 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.678 6.053 5.710 1.00 0.00 H new ATOM 368 N ASP A 26 -14.310 7.580 3.298 1.00 0.00 N ATOM 369 CA ASP A 26 -14.430 7.958 1.894 1.00 0.00 C ATOM 370 C ASP A 26 -13.680 6.977 0.997 1.00 0.00 C ATOM 371 O ASP A 26 -14.032 6.795 -0.168 1.00 0.00 O ATOM 372 CB ASP A 26 -13.896 9.375 1.680 1.00 0.00 C ATOM 373 CG ASP A 26 -14.590 10.395 2.560 1.00 0.00 C ATOM 374 OD1 ASP A 26 -15.824 10.296 2.724 1.00 0.00 O ATOM 375 OD2 ASP A 26 -13.898 11.292 3.087 1.00 0.00 O ATOM 0 H ASP A 26 -13.849 8.276 3.884 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.486 7.930 1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.826 9.391 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.025 9.654 0.634 1.00 0.00 H new ATOM 380 N ILE A 27 -12.646 6.348 1.548 1.00 0.00 N ATOM 381 CA ILE A 27 -11.849 5.390 0.803 1.00 0.00 C ATOM 382 C ILE A 27 -12.538 4.016 0.786 1.00 0.00 C ATOM 383 O ILE A 27 -12.909 3.499 1.840 1.00 0.00 O ATOM 384 CB ILE A 27 -10.444 5.263 1.429 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.726 6.617 1.405 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.619 4.212 0.702 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.804 7.332 0.071 1.00 0.00 C ATOM 0 H ILE A 27 -12.343 6.488 2.512 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.751 5.747 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.560 4.946 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.155 7.258 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.678 6.466 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.633 4.141 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.120 3.246 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.511 4.494 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.272 8.281 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.348 6.712 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.848 7.517 -0.182 1.00 0.00 H new ATOM 399 N ASP A 28 -12.725 3.431 -0.403 1.00 0.00 N ATOM 400 CA ASP A 28 -13.383 2.138 -0.513 1.00 0.00 C ATOM 401 C ASP A 28 -12.419 1.046 -0.969 1.00 0.00 C ATOM 402 O ASP A 28 -12.445 -0.064 -0.437 1.00 0.00 O ATOM 403 CB ASP A 28 -14.558 2.230 -1.489 1.00 0.00 C ATOM 404 CG ASP A 28 -15.810 1.567 -0.950 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.133 1.784 0.237 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.467 0.828 -1.713 1.00 0.00 O ATOM 0 H ASP A 28 -12.430 3.834 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.747 1.869 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.768 3.278 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.280 1.762 -2.433 1.00 0.00 H new ATOM 411 N GLU A 29 -11.582 1.342 -1.965 1.00 0.00 N ATOM 412 CA GLU A 29 -10.650 0.334 -2.466 1.00 0.00 C ATOM 413 C GLU A 29 -9.207 0.845 -2.513 1.00 0.00 C ATOM 414 O GLU A 29 -8.889 1.765 -3.268 1.00 0.00 O ATOM 415 CB GLU A 29 -11.090 -0.134 -3.857 1.00 0.00 C ATOM 416 CG GLU A 29 -10.240 -1.259 -4.428 1.00 0.00 C ATOM 417 CD GLU A 29 -10.646 -1.634 -5.839 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.842 -1.489 -6.171 1.00 0.00 O ATOM 419 OE2 GLU A 29 -9.769 -2.071 -6.614 1.00 0.00 O ATOM 0 H GLU A 29 -11.530 2.248 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.670 -0.505 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.127 -0.466 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.059 0.714 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.193 -0.957 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.323 -2.135 -3.785 1.00 0.00 H new ATOM 426 N VAL A 30 -8.333 0.219 -1.720 1.00 0.00 N ATOM 427 CA VAL A 30 -6.914 0.584 -1.690 1.00 0.00 C ATOM 428 C VAL A 30 -6.067 -0.586 -2.179 1.00 0.00 C ATOM 429 O VAL A 30 -6.072 -1.655 -1.571 1.00 0.00 O ATOM 430 CB VAL A 30 -6.434 0.990 -0.276 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.047 1.613 -0.346 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.425 1.944 0.376 1.00 0.00 C ATOM 0 H VAL A 30 -8.583 -0.543 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.797 1.447 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.376 0.093 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.723 1.893 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.345 0.892 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.078 2.500 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.068 2.217 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.521 2.842 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.397 1.457 0.461 1.00 0.00 H new ATOM 442 N ARG A 31 -5.356 -0.396 -3.286 1.00 0.00 N ATOM 443 CA ARG A 31 -4.534 -1.464 -3.843 1.00 0.00 C ATOM 444 C ARG A 31 -3.053 -1.101 -3.874 1.00 0.00 C ATOM 445 O ARG A 31 -2.671 -0.017 -4.316 1.00 0.00 O ATOM 446 CB ARG A 31 -5.010 -1.817 -5.254 1.00 0.00 C ATOM 447 CG ARG A 31 -5.029 -0.634 -6.207 1.00 0.00 C ATOM 448 CD ARG A 31 -5.850 -0.936 -7.450 1.00 0.00 C ATOM 449 NE ARG A 31 -5.437 -2.184 -8.089 1.00 0.00 N ATOM 450 CZ ARG A 31 -5.984 -2.663 -9.204 1.00 0.00 C ATOM 451 NH1 ARG A 31 -6.965 -2.002 -9.807 1.00 0.00 N ATOM 452 NH2 ARG A 31 -5.549 -3.805 -9.718 1.00 0.00 N ATOM 0 H ARG A 31 -5.332 0.478 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.647 -2.328 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.361 -2.591 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.013 -2.240 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.442 0.238 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.009 -0.381 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.905 -0.998 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.749 -0.115 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.685 -2.720 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.303 -1.123 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.381 -2.374 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.795 -4.317 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.968 -4.172 -10.572 1.00 0.00 H new ATOM 466 N TRP A 32 -2.228 -2.041 -3.424 1.00 0.00 N ATOM 467 CA TRP A 32 -0.781 -1.874 -3.414 1.00 0.00 C ATOM 468 C TRP A 32 -0.174 -2.795 -4.465 1.00 0.00 C ATOM 469 O TRP A 32 0.221 -3.922 -4.163 1.00 0.00 O ATOM 470 CB TRP A 32 -0.207 -2.209 -2.032 1.00 0.00 C ATOM 471 CG TRP A 32 -0.363 -1.115 -1.013 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.421 -0.920 -0.165 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.577 -0.074 -0.724 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.190 0.176 0.632 1.00 0.00 N ATOM 475 CE2 TRP A 32 0.027 0.715 0.305 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.831 0.270 -1.237 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.689 1.822 0.831 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.486 1.371 -0.716 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.914 2.135 0.310 1.00 0.00 C ATOM 0 H TRP A 32 -2.544 -2.938 -3.057 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.537 -0.836 -3.640 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.694 -3.109 -1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.853 -2.441 -2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.307 -1.537 -0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.822 0.531 1.350 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.281 -0.314 -2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.250 2.412 1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.455 1.647 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.451 2.988 0.697 1.00 0.00 H new ATOM 490 N GLU A 33 -0.138 -2.325 -5.707 1.00 0.00 N ATOM 491 CA GLU A 33 0.383 -3.131 -6.805 1.00 0.00 C ATOM 492 C GLU A 33 1.852 -2.845 -7.090 1.00 0.00 C ATOM 493 O GLU A 33 2.338 -1.731 -6.894 1.00 0.00 O ATOM 494 CB GLU A 33 -0.443 -2.899 -8.072 1.00 0.00 C ATOM 495 CG GLU A 33 -1.922 -3.200 -7.896 1.00 0.00 C ATOM 496 CD GLU A 33 -2.724 -2.941 -9.157 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.144 -1.784 -9.364 1.00 0.00 O ATOM 498 OE2 GLU A 33 -2.930 -3.894 -9.937 1.00 0.00 O ATOM 0 H GLU A 33 -0.461 -1.396 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 33 0.304 -4.174 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.327 -1.862 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.047 -3.522 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.044 -4.242 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.319 -2.589 -7.085 1.00 0.00 H new ATOM 505 N ARG A 34 2.542 -3.873 -7.572 1.00 0.00 N ATOM 506 CA ARG A 34 3.951 -3.776 -7.918 1.00 0.00 C ATOM 507 C ARG A 34 4.209 -4.542 -9.208 1.00 0.00 C ATOM 508 O ARG A 34 4.066 -5.765 -9.252 1.00 0.00 O ATOM 509 CB ARG A 34 4.818 -4.336 -6.787 1.00 0.00 C ATOM 510 CG ARG A 34 6.307 -4.312 -7.089 1.00 0.00 C ATOM 511 CD ARG A 34 7.016 -5.512 -6.481 1.00 0.00 C ATOM 512 NE ARG A 34 6.485 -6.775 -6.989 1.00 0.00 N ATOM 513 CZ ARG A 34 6.589 -7.937 -6.346 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.208 -8.004 -5.174 1.00 0.00 N ATOM 515 NH2 ARG A 34 6.074 -9.036 -6.880 1.00 0.00 N ATOM 0 H ARG A 34 2.138 -4.796 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 34 4.212 -2.728 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.631 -3.762 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.514 -5.363 -6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.461 -4.305 -8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.744 -3.393 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.082 -5.453 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.911 -5.484 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 34 6.006 -6.766 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.608 -7.162 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.284 -8.897 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.599 -8.991 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.153 -9.927 -6.389 1.00 0.00 H new ATOM 529 N GLY A 35 4.564 -3.822 -10.267 1.00 0.00 N ATOM 530 CA GLY A 35 4.806 -4.469 -11.541 1.00 0.00 C ATOM 531 C GLY A 35 3.589 -5.229 -12.020 1.00 0.00 C ATOM 532 O GLY A 35 2.547 -4.637 -12.304 1.00 0.00 O ATOM 0 H GLY A 35 4.687 -2.810 -10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.083 -3.720 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.649 -5.153 -11.448 1.00 0.00 H new ATOM 536 N SER A 36 3.721 -6.542 -12.097 1.00 0.00 N ATOM 537 CA SER A 36 2.625 -7.399 -12.531 1.00 0.00 C ATOM 538 C SER A 36 2.207 -8.348 -11.409 1.00 0.00 C ATOM 539 O SER A 36 1.987 -9.536 -11.639 1.00 0.00 O ATOM 540 CB SER A 36 3.033 -8.199 -13.769 1.00 0.00 C ATOM 541 OG SER A 36 1.903 -8.536 -14.556 1.00 0.00 O ATOM 0 H SER A 36 4.579 -7.042 -11.864 1.00 0.00 H new ATOM 0 HA SER A 36 1.776 -6.765 -12.785 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.735 -7.617 -14.366 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.551 -9.108 -13.464 1.00 0.00 H new ATOM 0 HG SER A 36 2.192 -9.046 -15.342 1.00 0.00 H new ATOM 547 N THR A 37 2.108 -7.816 -10.191 1.00 0.00 N ATOM 548 CA THR A 37 1.727 -8.624 -9.036 1.00 0.00 C ATOM 549 C THR A 37 1.068 -7.770 -7.953 1.00 0.00 C ATOM 550 O THR A 37 1.248 -6.553 -7.913 1.00 0.00 O ATOM 551 CB THR A 37 2.965 -9.323 -8.467 1.00 0.00 C ATOM 552 OG1 THR A 37 3.508 -10.228 -9.412 1.00 0.00 O ATOM 553 CG2 THR A 37 2.699 -10.097 -7.192 1.00 0.00 C ATOM 0 H THR A 37 2.286 -6.834 -9.980 1.00 0.00 H new ATOM 0 HA THR A 37 1.002 -9.369 -9.364 1.00 0.00 H new ATOM 0 HB THR A 37 3.663 -8.518 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.299 -10.663 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.623 -10.564 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.330 -9.417 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.952 -10.868 -7.383 1.00 0.00 H new ATOM 561 N LEU A 38 0.325 -8.423 -7.062 1.00 0.00 N ATOM 562 CA LEU A 38 -0.339 -7.728 -5.960 1.00 0.00 C ATOM 563 C LEU A 38 0.456 -7.924 -4.680 1.00 0.00 C ATOM 564 O LEU A 38 1.069 -8.971 -4.473 1.00 0.00 O ATOM 565 CB LEU A 38 -1.765 -8.247 -5.740 1.00 0.00 C ATOM 566 CG LEU A 38 -2.894 -7.359 -6.271 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.239 -7.996 -5.958 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.806 -5.966 -5.662 1.00 0.00 C ATOM 0 H LEU A 38 0.167 -9.431 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.392 -6.671 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.850 -9.227 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.916 -8.392 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.793 -7.264 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.039 -7.361 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.297 -8.976 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.346 -8.109 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.615 -5.348 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.891 -6.037 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.848 -5.515 -5.922 1.00 0.00 H new ATOM 580 N VAL A 39 0.436 -6.920 -3.820 1.00 0.00 N ATOM 581 CA VAL A 39 1.149 -6.997 -2.561 1.00 0.00 C ATOM 582 C VAL A 39 0.171 -6.894 -1.395 1.00 0.00 C ATOM 583 O VAL A 39 0.264 -7.644 -0.420 1.00 0.00 O ATOM 584 CB VAL A 39 2.213 -5.884 -2.461 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.768 -5.786 -1.050 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.333 -6.134 -3.466 1.00 0.00 C ATOM 0 H VAL A 39 -0.066 -6.045 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 39 1.657 -7.960 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 39 1.738 -4.932 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.516 -4.994 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.959 -5.559 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.228 -6.735 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.077 -5.342 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.802 -7.095 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.921 -6.144 -4.475 1.00 0.00 H new ATOM 596 N ALA A 40 -0.774 -5.970 -1.514 1.00 0.00 N ATOM 597 CA ALA A 40 -1.781 -5.770 -0.478 1.00 0.00 C ATOM 598 C ALA A 40 -2.931 -4.904 -0.983 1.00 0.00 C ATOM 599 O ALA A 40 -2.760 -3.715 -1.246 1.00 0.00 O ATOM 600 CB ALA A 40 -1.153 -5.147 0.757 1.00 0.00 C ATOM 0 H ALA A 40 -0.865 -5.347 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.187 -6.746 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.917 -5.004 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.375 -5.806 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.716 -4.183 0.496 1.00 0.00 H new ATOM 606 N GLU A 41 -4.105 -5.512 -1.111 1.00 0.00 N ATOM 607 CA GLU A 41 -5.287 -4.801 -1.583 1.00 0.00 C ATOM 608 C GLU A 41 -6.394 -4.812 -0.532 1.00 0.00 C ATOM 609 O GLU A 41 -6.875 -5.870 -0.129 1.00 0.00 O ATOM 610 CB GLU A 41 -5.796 -5.420 -2.886 1.00 0.00 C ATOM 611 CG GLU A 41 -5.779 -4.455 -4.059 1.00 0.00 C ATOM 612 CD GLU A 41 -6.180 -5.114 -5.364 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.885 -6.144 -5.317 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.790 -4.600 -6.433 1.00 0.00 O ATOM 0 H GLU A 41 -4.263 -6.496 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.002 -3.765 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.184 -6.288 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.814 -5.780 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.456 -3.626 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.780 -4.032 -4.162 1.00 0.00 H new ATOM 621 N PHE A 42 -6.797 -3.621 -0.102 1.00 0.00 N ATOM 622 CA PHE A 42 -7.851 -3.477 0.893 1.00 0.00 C ATOM 623 C PHE A 42 -9.189 -3.194 0.216 1.00 0.00 C ATOM 624 O PHE A 42 -9.235 -2.629 -0.878 1.00 0.00 O ATOM 625 CB PHE A 42 -7.508 -2.351 1.876 1.00 0.00 C ATOM 626 CG PHE A 42 -8.664 -1.920 2.734 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.586 -1.001 2.259 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.829 -2.430 4.012 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.651 -0.599 3.040 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.894 -2.033 4.798 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.807 -1.116 4.312 1.00 0.00 C ATOM 0 H PHE A 42 -6.406 -2.738 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.931 -4.413 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.693 -2.680 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.144 -1.490 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.470 -0.594 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.118 -3.145 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.361 0.119 2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.013 -2.439 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.640 -0.804 4.925 1.00 0.00 H new ATOM 641 N LYS A 43 -10.273 -3.589 0.873 1.00 0.00 N ATOM 642 CA LYS A 43 -11.609 -3.378 0.334 1.00 0.00 C ATOM 643 C LYS A 43 -12.629 -3.219 1.457 1.00 0.00 C ATOM 644 O LYS A 43 -12.784 -4.102 2.299 1.00 0.00 O ATOM 645 CB LYS A 43 -12.001 -4.543 -0.575 1.00 0.00 C ATOM 646 CG LYS A 43 -12.912 -4.139 -1.722 1.00 0.00 C ATOM 647 CD LYS A 43 -12.117 -3.649 -2.921 1.00 0.00 C ATOM 648 CE LYS A 43 -12.761 -4.075 -4.230 1.00 0.00 C ATOM 649 NZ LYS A 43 -11.746 -4.446 -5.255 1.00 0.00 N ATOM 0 H LYS A 43 -10.252 -4.057 1.779 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.600 -2.459 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.097 -4.996 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.499 -5.307 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.528 -4.989 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.591 -3.354 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.041 -2.562 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.101 -4.041 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.422 -4.923 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.381 -3.263 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.963 -3.961 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.801 -4.161 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.765 -5.475 -5.405 1.00 0.00 H new ATOM 663 N ARG A 44 -13.319 -2.079 1.460 1.00 0.00 N ATOM 664 CA ARG A 44 -14.323 -1.777 2.467 1.00 0.00 C ATOM 665 C ARG A 44 -15.221 -2.970 2.727 1.00 0.00 C ATOM 666 O ARG A 44 -16.201 -3.214 2.023 1.00 0.00 O ATOM 667 CB ARG A 44 -15.165 -0.584 2.051 1.00 0.00 C ATOM 668 CG ARG A 44 -15.533 0.335 3.207 1.00 0.00 C ATOM 669 CD ARG A 44 -14.832 1.679 3.102 1.00 0.00 C ATOM 670 NE ARG A 44 -13.435 1.603 3.521 1.00 0.00 N ATOM 671 CZ ARG A 44 -13.042 1.602 4.794 1.00 0.00 C ATOM 672 NH1 ARG A 44 -13.935 1.668 5.773 1.00 0.00 N ATOM 673 NH2 ARG A 44 -11.750 1.534 5.087 1.00 0.00 N ATOM 0 H ARG A 44 -13.195 -1.344 0.764 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.794 -1.535 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.621 -0.010 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.079 -0.942 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.612 0.488 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.266 -0.142 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.883 2.035 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.356 2.410 3.718 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.719 1.547 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.930 1.720 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.627 1.667 6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.059 1.483 4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.447 1.533 6.061 1.00 0.00 H new ATOM 687 N LYS A 45 -14.854 -3.694 3.750 1.00 0.00 N ATOM 688 CA LYS A 45 -15.573 -4.892 4.189 1.00 0.00 C ATOM 689 C LYS A 45 -15.181 -6.107 3.351 1.00 0.00 C ATOM 690 O LYS A 45 -14.900 -7.178 3.890 1.00 0.00 O ATOM 691 CB LYS A 45 -17.095 -4.659 4.143 1.00 0.00 C ATOM 692 CG LYS A 45 -17.813 -5.371 3.002 1.00 0.00 C ATOM 693 CD LYS A 45 -19.286 -4.999 2.955 1.00 0.00 C ATOM 694 CE LYS A 45 -20.009 -5.422 4.224 1.00 0.00 C ATOM 695 NZ LYS A 45 -20.154 -4.293 5.183 1.00 0.00 N ATOM 0 H LYS A 45 -14.037 -3.477 4.320 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.290 -5.096 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.528 -4.987 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.283 -3.588 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.340 -5.112 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.712 -6.450 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.386 -3.922 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.755 -5.473 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.995 -5.810 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.461 -6.235 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.059 -4.649 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.415 -3.585 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.090 -3.855 5.065 1.00 0.00 H new ATOM 709 N MET A 46 -15.170 -5.938 2.034 1.00 0.00 N ATOM 710 CA MET A 46 -14.814 -7.029 1.125 1.00 0.00 C ATOM 711 C MET A 46 -13.504 -7.692 1.548 1.00 0.00 C ATOM 712 O MET A 46 -12.684 -7.088 2.238 1.00 0.00 O ATOM 713 CB MET A 46 -14.705 -6.522 -0.316 1.00 0.00 C ATOM 714 CG MET A 46 -16.009 -6.609 -1.091 1.00 0.00 C ATOM 715 SD MET A 46 -15.752 -6.940 -2.846 1.00 0.00 S ATOM 716 CE MET A 46 -17.433 -6.837 -3.458 1.00 0.00 C ATOM 0 H MET A 46 -15.402 -5.060 1.570 1.00 0.00 H new ATOM 0 HA MET A 46 -15.608 -7.774 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.368 -5.485 -0.303 1.00 0.00 H new ATOM 0 HB3 MET A 46 -13.942 -7.099 -0.839 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.630 -7.397 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.558 -5.674 -0.978 1.00 0.00 H new ATOM 0 HE1 MET A 46 -17.441 -7.019 -4.533 1.00 0.00 H new ATOM 0 HE2 MET A 46 -18.049 -7.585 -2.959 1.00 0.00 H new ATOM 0 HE3 MET A 46 -17.834 -5.844 -3.256 1.00 0.00 H new ATOM 726 N LYS A 47 -13.322 -8.944 1.135 1.00 0.00 N ATOM 727 CA LYS A 47 -12.119 -9.699 1.475 1.00 0.00 C ATOM 728 C LYS A 47 -10.883 -9.129 0.775 1.00 0.00 C ATOM 729 O LYS A 47 -10.780 -9.182 -0.450 1.00 0.00 O ATOM 730 CB LYS A 47 -12.297 -11.168 1.087 1.00 0.00 C ATOM 731 CG LYS A 47 -13.054 -11.984 2.124 1.00 0.00 C ATOM 732 CD LYS A 47 -12.539 -13.412 2.193 1.00 0.00 C ATOM 733 CE LYS A 47 -12.521 -13.930 3.622 1.00 0.00 C ATOM 734 NZ LYS A 47 -11.325 -13.453 4.370 1.00 0.00 N ATOM 0 H LYS A 47 -13.993 -9.457 0.564 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.968 -9.618 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.827 -11.222 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.315 -11.615 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.955 -11.513 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.116 -11.991 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.168 -14.057 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.533 -13.458 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.425 -13.605 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.533 -15.020 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.350 -13.828 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.462 -13.784 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.326 -12.413 4.401 1.00 0.00 H new ATOM 748 N PRO A 48 -9.920 -8.579 1.542 1.00 0.00 N ATOM 749 CA PRO A 48 -8.691 -8.012 0.978 1.00 0.00 C ATOM 750 C PRO A 48 -7.774 -9.085 0.397 1.00 0.00 C ATOM 751 O PRO A 48 -8.148 -10.255 0.317 1.00 0.00 O ATOM 752 CB PRO A 48 -8.012 -7.323 2.167 1.00 0.00 C ATOM 753 CG PRO A 48 -9.016 -7.321 3.272 1.00 0.00 C ATOM 754 CD PRO A 48 -9.942 -8.471 3.008 1.00 0.00 C ATOM 0 HA PRO A 48 -8.909 -7.334 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.108 -7.856 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.713 -6.307 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.527 -7.431 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.564 -6.379 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.595 -9.387 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.946 -8.276 3.384 1.00 0.00 H new ATOM 762 N PHE A 49 -6.575 -8.679 -0.010 1.00 0.00 N ATOM 763 CA PHE A 49 -5.609 -9.610 -0.585 1.00 0.00 C ATOM 764 C PHE A 49 -4.199 -9.360 -0.057 1.00 0.00 C ATOM 765 O PHE A 49 -3.486 -8.490 -0.557 1.00 0.00 O ATOM 766 CB PHE A 49 -5.600 -9.503 -2.112 1.00 0.00 C ATOM 767 CG PHE A 49 -4.504 -10.313 -2.757 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.693 -11.655 -3.042 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.278 -9.735 -3.059 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.684 -12.405 -3.619 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.266 -10.480 -3.631 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.469 -11.816 -3.913 1.00 0.00 C ATOM 0 H PHE A 49 -6.249 -7.714 0.047 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.917 -10.613 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.564 -9.834 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.485 -8.457 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.639 -12.121 -2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.114 -8.689 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.846 -13.450 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.316 -10.018 -3.858 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.680 -12.400 -4.363 1.00 0.00 H new ATOM 782 N LEU A 50 -3.786 -10.151 0.927 1.00 0.00 N ATOM 783 CA LEU A 50 -2.448 -10.034 1.482 1.00 0.00 C ATOM 784 C LEU A 50 -1.523 -11.019 0.766 1.00 0.00 C ATOM 785 O LEU A 50 -1.708 -12.231 0.862 1.00 0.00 O ATOM 786 CB LEU A 50 -2.474 -10.309 2.987 1.00 0.00 C ATOM 787 CG LEU A 50 -2.611 -9.064 3.871 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.542 -9.435 5.344 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.535 -8.045 3.529 1.00 0.00 C ATOM 0 H LEU A 50 -4.359 -10.878 1.354 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.075 -9.021 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.303 -10.983 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.558 -10.832 3.261 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.586 -8.617 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.642 -8.535 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.351 -10.126 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.584 -9.911 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.648 -7.168 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.551 -8.486 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.633 -7.749 2.485 1.00 0.00 H new ATOM 801 N LYS A 51 -0.553 -10.489 0.018 1.00 0.00 N ATOM 802 CA LYS A 51 0.381 -11.318 -0.754 1.00 0.00 C ATOM 803 C LYS A 51 0.760 -12.619 -0.032 1.00 0.00 C ATOM 804 O LYS A 51 0.103 -13.644 -0.216 1.00 0.00 O ATOM 805 CB LYS A 51 1.633 -10.510 -1.106 1.00 0.00 C ATOM 806 CG LYS A 51 2.705 -11.317 -1.825 1.00 0.00 C ATOM 807 CD LYS A 51 2.274 -11.684 -3.235 1.00 0.00 C ATOM 808 CE LYS A 51 2.720 -13.088 -3.607 1.00 0.00 C ATOM 809 NZ LYS A 51 2.238 -14.102 -2.629 1.00 0.00 N ATOM 0 H LYS A 51 -0.392 -9.486 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.131 -11.611 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.345 -9.667 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.056 -10.096 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.630 -10.742 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.918 -12.225 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.189 -11.613 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.693 -10.969 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.347 -13.336 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.808 -13.122 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.225 -15.040 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.874 -14.121 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.277 -13.855 -2.318 1.00 0.00 H new ATOM 823 N SER A 52 1.824 -12.589 0.768 1.00 0.00 N ATOM 824 CA SER A 52 2.272 -13.788 1.475 1.00 0.00 C ATOM 825 C SER A 52 2.223 -13.612 2.991 1.00 0.00 C ATOM 826 O SER A 52 2.903 -14.329 3.726 1.00 0.00 O ATOM 827 CB SER A 52 3.693 -14.153 1.043 1.00 0.00 C ATOM 828 OG SER A 52 3.829 -14.096 -0.366 1.00 0.00 O ATOM 0 H SER A 52 2.387 -11.757 0.942 1.00 0.00 H new ATOM 0 HA SER A 52 1.588 -14.595 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.404 -13.470 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.937 -15.155 1.395 1.00 0.00 H new ATOM 0 HG SER A 52 4.747 -14.332 -0.616 1.00 0.00 H new ATOM 834 N GLY A 53 1.418 -12.665 3.457 1.00 0.00 N ATOM 835 CA GLY A 53 1.306 -12.432 4.885 1.00 0.00 C ATOM 836 C GLY A 53 2.511 -11.706 5.469 1.00 0.00 C ATOM 837 O GLY A 53 2.532 -11.410 6.664 1.00 0.00 O ATOM 0 H GLY A 53 0.843 -12.056 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.407 -11.848 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.183 -13.388 5.394 1.00 0.00 H new ATOM 841 N ALA A 54 3.516 -11.404 4.636 1.00 0.00 N ATOM 842 CA ALA A 54 4.703 -10.700 5.111 1.00 0.00 C ATOM 843 C ALA A 54 4.463 -9.193 5.159 1.00 0.00 C ATOM 844 O ALA A 54 5.368 -8.417 5.476 1.00 0.00 O ATOM 845 CB ALA A 54 5.897 -11.018 4.222 1.00 0.00 C ATOM 0 H ALA A 54 3.527 -11.635 3.643 1.00 0.00 H new ATOM 0 HA ALA A 54 4.918 -11.041 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.775 -10.486 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.089 -12.091 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.683 -10.705 3.200 1.00 0.00 H new ATOM 851 N PHE A 55 3.237 -8.788 4.843 1.00 0.00 N ATOM 852 CA PHE A 55 2.866 -7.383 4.845 1.00 0.00 C ATOM 853 C PHE A 55 1.665 -7.143 5.748 1.00 0.00 C ATOM 854 O PHE A 55 0.891 -8.057 6.028 1.00 0.00 O ATOM 855 CB PHE A 55 2.533 -6.923 3.428 1.00 0.00 C ATOM 856 CG PHE A 55 3.586 -7.272 2.418 1.00 0.00 C ATOM 857 CD1 PHE A 55 3.538 -8.473 1.730 1.00 0.00 C ATOM 858 CD2 PHE A 55 4.620 -6.395 2.154 1.00 0.00 C ATOM 859 CE1 PHE A 55 4.507 -8.792 0.798 1.00 0.00 C ATOM 860 CE2 PHE A 55 5.592 -6.705 1.224 1.00 0.00 C ATOM 861 CZ PHE A 55 5.536 -7.906 0.543 1.00 0.00 C ATOM 0 H PHE A 55 2.481 -9.420 4.581 1.00 0.00 H new ATOM 0 HA PHE A 55 3.713 -6.811 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.587 -7.370 3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.388 -5.843 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.734 -9.168 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.669 -5.454 2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.460 -9.733 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.395 -6.010 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.294 -8.151 -0.186 1.00 0.00 H new ATOM 871 N GLU A 56 1.510 -5.903 6.189 1.00 0.00 N ATOM 872 CA GLU A 56 0.397 -5.535 7.048 1.00 0.00 C ATOM 873 C GLU A 56 -0.131 -4.161 6.664 1.00 0.00 C ATOM 874 O GLU A 56 0.605 -3.171 6.692 1.00 0.00 O ATOM 875 CB GLU A 56 0.827 -5.543 8.517 1.00 0.00 C ATOM 876 CG GLU A 56 0.753 -6.917 9.164 1.00 0.00 C ATOM 877 CD GLU A 56 1.180 -6.899 10.619 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.732 -5.997 11.358 1.00 0.00 O ATOM 879 OE2 GLU A 56 1.962 -7.786 11.019 1.00 0.00 O ATOM 0 H GLU A 56 2.143 -5.135 5.965 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.399 -6.268 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.849 -5.170 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.195 -4.853 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.267 -7.294 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.388 -7.610 8.611 1.00 0.00 H new ATOM 886 N ILE A 57 -1.405 -4.105 6.293 1.00 0.00 N ATOM 887 CA ILE A 57 -2.022 -2.848 5.893 1.00 0.00 C ATOM 888 C ILE A 57 -2.353 -1.980 7.105 1.00 0.00 C ATOM 889 O ILE A 57 -3.327 -2.226 7.817 1.00 0.00 O ATOM 890 CB ILE A 57 -3.300 -3.082 5.060 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.808 -1.755 4.495 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.381 -3.763 5.890 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.456 -1.888 3.136 1.00 0.00 C ATOM 0 H ILE A 57 -2.028 -4.912 6.261 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.294 -2.325 5.273 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.052 -3.745 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.527 -1.324 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.975 -1.056 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.269 -3.915 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.015 -4.727 6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.633 -3.135 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.793 -0.909 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.733 -2.290 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.310 -2.562 3.205 1.00 0.00 H new ATOM 905 N LEU A 58 -1.531 -0.962 7.332 1.00 0.00 N ATOM 906 CA LEU A 58 -1.726 -0.051 8.454 1.00 0.00 C ATOM 907 C LEU A 58 -3.130 0.548 8.438 1.00 0.00 C ATOM 908 O LEU A 58 -3.849 0.445 7.444 1.00 0.00 O ATOM 909 CB LEU A 58 -0.677 1.064 8.417 1.00 0.00 C ATOM 910 CG LEU A 58 0.328 1.054 9.572 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.885 -0.345 9.791 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.454 2.039 9.300 1.00 0.00 C ATOM 0 H LEU A 58 -0.720 -0.746 6.752 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.610 -0.620 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.128 0.993 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.192 2.025 8.413 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.190 1.359 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.597 -0.328 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.070 -1.028 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.388 -0.682 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.161 2.021 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.967 1.760 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.042 3.043 9.196 1.00 0.00 H new ATOM 924 N ALA A 59 -3.516 1.169 9.548 1.00 0.00 N ATOM 925 CA ALA A 59 -4.834 1.780 9.667 1.00 0.00 C ATOM 926 C ALA A 59 -4.976 2.999 8.758 1.00 0.00 C ATOM 927 O ALA A 59 -6.087 3.384 8.395 1.00 0.00 O ATOM 928 CB ALA A 59 -5.105 2.168 11.113 1.00 0.00 C ATOM 0 H ALA A 59 -2.933 1.262 10.380 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.571 1.042 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.092 2.623 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.066 1.278 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.350 2.881 11.446 1.00 0.00 H new ATOM 934 N ASN A 60 -3.849 3.608 8.397 1.00 0.00 N ATOM 935 CA ASN A 60 -3.862 4.784 7.534 1.00 0.00 C ATOM 936 C ASN A 60 -3.619 4.402 6.076 1.00 0.00 C ATOM 937 O ASN A 60 -3.012 5.160 5.320 1.00 0.00 O ATOM 938 CB ASN A 60 -2.810 5.795 7.995 1.00 0.00 C ATOM 939 CG ASN A 60 -1.395 5.264 7.870 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.963 4.491 8.860 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.697 5.547 6.896 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.919 3.307 8.688 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.849 5.241 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.905 6.707 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.002 6.065 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.069 6.145 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.254 5.184 6.827 1.00 0.00 H new ATOM 948 N GLY A 61 -4.098 3.224 5.686 1.00 0.00 N ATOM 949 CA GLY A 61 -3.924 2.766 4.319 1.00 0.00 C ATOM 950 C GLY A 61 -2.467 2.714 3.902 1.00 0.00 C ATOM 951 O GLY A 61 -2.137 2.965 2.742 1.00 0.00 O ATOM 0 H GLY A 61 -4.604 2.578 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.364 1.774 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.467 3.429 3.646 1.00 0.00 H new ATOM 955 N ASP A 62 -1.594 2.388 4.849 1.00 0.00 N ATOM 956 CA ASP A 62 -0.164 2.304 4.573 1.00 0.00 C ATOM 957 C ASP A 62 0.277 0.852 4.403 1.00 0.00 C ATOM 958 O ASP A 62 -0.507 -0.074 4.611 1.00 0.00 O ATOM 959 CB ASP A 62 0.639 2.963 5.698 1.00 0.00 C ATOM 960 CG ASP A 62 1.687 3.924 5.172 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.306 4.925 4.531 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.889 3.675 5.402 1.00 0.00 O ATOM 0 H ASP A 62 -1.851 2.178 5.813 1.00 0.00 H new ATOM 0 HA ASP A 62 0.028 2.835 3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.041 3.498 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.125 2.191 6.295 1.00 0.00 H new ATOM 967 N LEU A 63 1.537 0.663 4.023 1.00 0.00 N ATOM 968 CA LEU A 63 2.087 -0.681 3.824 1.00 0.00 C ATOM 969 C LEU A 63 3.177 -0.972 4.852 1.00 0.00 C ATOM 970 O LEU A 63 4.175 -0.256 4.922 1.00 0.00 O ATOM 971 CB LEU A 63 2.669 -0.808 2.417 1.00 0.00 C ATOM 972 CG LEU A 63 2.994 -2.234 1.976 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.737 -2.951 1.510 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.042 -2.218 0.875 1.00 0.00 C ATOM 0 H LEU A 63 2.198 1.419 3.846 1.00 0.00 H new ATOM 0 HA LEU A 63 1.280 -1.402 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.962 -0.377 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.579 -0.211 2.362 1.00 0.00 H new ATOM 0 HG LEU A 63 3.397 -2.778 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.990 -3.965 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.017 -2.990 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.302 -2.412 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.265 -3.240 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.663 -1.658 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.951 -1.744 1.245 1.00 0.00 H new ATOM 986 N LYS A 64 2.987 -2.022 5.645 1.00 0.00 N ATOM 987 CA LYS A 64 3.968 -2.388 6.660 1.00 0.00 C ATOM 988 C LYS A 64 4.724 -3.652 6.261 1.00 0.00 C ATOM 989 O LYS A 64 4.196 -4.760 6.358 1.00 0.00 O ATOM 990 CB LYS A 64 3.282 -2.595 8.012 1.00 0.00 C ATOM 991 CG LYS A 64 4.072 -2.040 9.186 1.00 0.00 C ATOM 992 CD LYS A 64 3.640 -2.675 10.497 1.00 0.00 C ATOM 993 CE LYS A 64 4.045 -1.823 11.689 1.00 0.00 C ATOM 994 NZ LYS A 64 3.667 -2.460 12.981 1.00 0.00 N ATOM 0 H LYS A 64 2.169 -2.630 5.605 1.00 0.00 H new ATOM 0 HA LYS A 64 4.685 -1.571 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.301 -2.121 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.117 -3.661 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.136 -2.218 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.934 -0.960 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.559 -2.812 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.087 -3.665 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.122 -1.657 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.570 -0.845 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.960 -1.848 13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.636 -2.595 13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.140 -3.382 13.065 1.00 0.00 H new ATOM 1008 N ILE A 65 5.965 -3.479 5.816 1.00 0.00 N ATOM 1009 CA ILE A 65 6.796 -4.608 5.408 1.00 0.00 C ATOM 1010 C ILE A 65 7.450 -5.262 6.624 1.00 0.00 C ATOM 1011 O ILE A 65 8.088 -4.586 7.432 1.00 0.00 O ATOM 1012 CB ILE A 65 7.893 -4.173 4.413 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.347 -3.112 3.442 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.432 -5.385 3.662 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.263 -2.816 2.271 1.00 0.00 C ATOM 0 H ILE A 65 6.417 -2.569 5.729 1.00 0.00 H new ATOM 0 HA ILE A 65 6.143 -5.327 4.914 1.00 0.00 H new ATOM 0 HB ILE A 65 8.717 -3.725 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.383 -3.447 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.169 -2.188 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.205 -5.066 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.856 -6.094 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.621 -5.863 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.806 -2.058 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.220 -2.449 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.422 -3.727 1.694 1.00 0.00 H new ATOM 1027 N LYS A 66 7.282 -6.576 6.757 1.00 0.00 N ATOM 1028 CA LYS A 66 7.851 -7.307 7.888 1.00 0.00 C ATOM 1029 C LYS A 66 9.350 -7.512 7.717 1.00 0.00 C ATOM 1030 O LYS A 66 10.131 -7.301 8.647 1.00 0.00 O ATOM 1031 CB LYS A 66 7.151 -8.660 8.057 1.00 0.00 C ATOM 1032 CG LYS A 66 7.728 -9.512 9.177 1.00 0.00 C ATOM 1033 CD LYS A 66 6.776 -10.628 9.573 1.00 0.00 C ATOM 1034 CE LYS A 66 6.783 -10.858 11.076 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.015 -9.810 11.803 1.00 0.00 N ATOM 0 H LYS A 66 6.759 -7.154 6.099 1.00 0.00 H new ATOM 0 HA LYS A 66 7.691 -6.709 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.092 -8.489 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.218 -9.213 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.679 -9.939 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.935 -8.884 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.766 -10.379 9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.059 -11.548 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.357 -11.837 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.812 -10.870 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.045 -10.004 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.436 -8.878 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.027 -9.815 11.478 1.00 0.00 H new ATOM 1049 N ASN A 67 9.738 -7.921 6.526 1.00 0.00 N ATOM 1050 CA ASN A 67 11.139 -8.162 6.206 1.00 0.00 C ATOM 1051 C ASN A 67 11.400 -7.874 4.734 1.00 0.00 C ATOM 1052 O ASN A 67 10.905 -8.582 3.857 1.00 0.00 O ATOM 1053 CB ASN A 67 11.523 -9.606 6.538 1.00 0.00 C ATOM 1054 CG ASN A 67 12.567 -9.690 7.635 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.527 -10.453 7.536 1.00 0.00 O ATOM 1056 ND2 ASN A 67 12.384 -8.901 8.688 1.00 0.00 N ATOM 0 H ASN A 67 9.097 -8.096 5.752 1.00 0.00 H new ATOM 0 HA ASN A 67 11.752 -7.492 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.632 -10.154 6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.903 -10.093 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.054 -8.913 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.573 -8.284 8.728 1.00 0.00 H new ATOM 1063 N LEU A 68 12.165 -6.822 4.466 1.00 0.00 N ATOM 1064 CA LEU A 68 12.474 -6.436 3.101 1.00 0.00 C ATOM 1065 C LEU A 68 13.118 -7.577 2.326 1.00 0.00 C ATOM 1066 O LEU A 68 13.773 -8.447 2.901 1.00 0.00 O ATOM 1067 CB LEU A 68 13.380 -5.211 3.104 1.00 0.00 C ATOM 1068 CG LEU A 68 12.657 -3.906 3.424 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.537 -2.988 4.256 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.213 -3.214 2.148 1.00 0.00 C ATOM 0 H LEU A 68 12.581 -6.223 5.179 1.00 0.00 H new ATOM 0 HA LEU A 68 11.539 -6.190 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.176 -5.362 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.856 -5.121 2.127 1.00 0.00 H new ATOM 0 HG LEU A 68 11.770 -4.145 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.999 -2.065 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.797 -3.483 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.447 -2.757 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.699 -2.285 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.085 -2.992 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.536 -3.866 1.597 1.00 0.00 H new ATOM 1082 N THR A 69 12.916 -7.563 1.014 1.00 0.00 N ATOM 1083 CA THR A 69 13.465 -8.597 0.142 1.00 0.00 C ATOM 1084 C THR A 69 13.683 -8.065 -1.273 1.00 0.00 C ATOM 1085 O THR A 69 13.142 -7.024 -1.648 1.00 0.00 O ATOM 1086 CB THR A 69 12.535 -9.810 0.110 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.184 -9.406 -0.011 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.647 -10.679 1.344 1.00 0.00 C ATOM 0 H THR A 69 12.376 -6.847 0.529 1.00 0.00 H new ATOM 0 HA THR A 69 14.432 -8.899 0.544 1.00 0.00 H new ATOM 0 HB THR A 69 12.849 -10.392 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.606 -10.197 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.961 -11.522 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.668 -11.049 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.392 -10.092 2.227 1.00 0.00 H new ATOM 1096 N ARG A 70 14.482 -8.788 -2.053 1.00 0.00 N ATOM 1097 CA ARG A 70 14.786 -8.394 -3.429 1.00 0.00 C ATOM 1098 C ARG A 70 13.514 -8.107 -4.222 1.00 0.00 C ATOM 1099 O ARG A 70 13.359 -7.031 -4.800 1.00 0.00 O ATOM 1100 CB ARG A 70 15.594 -9.490 -4.127 1.00 0.00 C ATOM 1101 CG ARG A 70 16.884 -9.847 -3.404 1.00 0.00 C ATOM 1102 CD ARG A 70 17.776 -8.630 -3.222 1.00 0.00 C ATOM 1103 NE ARG A 70 19.125 -8.998 -2.801 1.00 0.00 N ATOM 1104 CZ ARG A 70 20.042 -9.512 -3.618 1.00 0.00 C ATOM 1105 NH1 ARG A 70 19.760 -9.718 -4.898 1.00 0.00 N ATOM 1106 NH2 ARG A 70 21.246 -9.818 -3.154 1.00 0.00 N ATOM 0 H ARG A 70 14.933 -9.653 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 70 15.375 -7.478 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.977 -10.384 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.832 -9.165 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.649 -10.276 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.419 -10.611 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.827 -8.075 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 70 17.334 -7.964 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 70 19.380 -8.853 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.836 -9.482 -5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 70 20.467 -10.112 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 70 21.469 -9.660 -2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.949 -10.212 -3.780 1.00 0.00 H new ATOM 1120 N ASP A 71 12.605 -9.074 -4.251 1.00 0.00 N ATOM 1121 CA ASP A 71 11.351 -8.917 -4.978 1.00 0.00 C ATOM 1122 C ASP A 71 10.559 -7.716 -4.466 1.00 0.00 C ATOM 1123 O ASP A 71 9.672 -7.211 -5.154 1.00 0.00 O ATOM 1124 CB ASP A 71 10.507 -10.188 -4.863 1.00 0.00 C ATOM 1125 CG ASP A 71 9.226 -10.107 -5.669 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.251 -9.509 -6.766 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.197 -10.641 -5.203 1.00 0.00 O ATOM 0 H ASP A 71 12.712 -9.973 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 71 11.593 -8.742 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.093 -11.042 -5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.263 -10.365 -3.816 1.00 0.00 H new ATOM 1132 N ASP A 72 10.878 -7.260 -3.256 1.00 0.00 N ATOM 1133 CA ASP A 72 10.185 -6.121 -2.668 1.00 0.00 C ATOM 1134 C ASP A 72 10.851 -4.801 -3.059 1.00 0.00 C ATOM 1135 O ASP A 72 10.256 -3.733 -2.910 1.00 0.00 O ATOM 1136 CB ASP A 72 10.139 -6.256 -1.144 1.00 0.00 C ATOM 1137 CG ASP A 72 8.725 -6.187 -0.601 1.00 0.00 C ATOM 1138 OD1 ASP A 72 7.837 -6.855 -1.169 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.507 -5.464 0.395 1.00 0.00 O ATOM 0 H ASP A 72 11.609 -7.661 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 72 9.167 -6.113 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.592 -7.203 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.738 -5.464 -0.693 1.00 0.00 H new ATOM 1144 N SER A 73 12.083 -4.875 -3.562 1.00 0.00 N ATOM 1145 CA SER A 73 12.808 -3.676 -3.969 1.00 0.00 C ATOM 1146 C SER A 73 12.394 -3.250 -5.372 1.00 0.00 C ATOM 1147 O SER A 73 12.363 -4.064 -6.295 1.00 0.00 O ATOM 1148 CB SER A 73 14.320 -3.916 -3.920 1.00 0.00 C ATOM 1149 OG SER A 73 14.617 -5.287 -3.728 1.00 0.00 O ATOM 0 H SER A 73 12.595 -5.747 -3.696 1.00 0.00 H new ATOM 0 HA SER A 73 12.558 -2.877 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.776 -3.569 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.757 -3.330 -3.112 1.00 0.00 H new ATOM 0 HG SER A 73 14.359 -5.793 -4.527 1.00 0.00 H new ATOM 1155 N GLY A 74 12.073 -1.969 -5.529 1.00 0.00 N ATOM 1156 CA GLY A 74 11.663 -1.468 -6.825 1.00 0.00 C ATOM 1157 C GLY A 74 10.719 -0.277 -6.713 1.00 0.00 C ATOM 1158 O GLY A 74 11.010 0.671 -5.984 1.00 0.00 O ATOM 0 H GLY A 74 12.090 -1.273 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.545 -1.177 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.173 -2.266 -7.382 1.00 0.00 H new ATOM 1162 N THR A 75 9.592 -0.306 -7.432 1.00 0.00 N ATOM 1163 CA THR A 75 8.639 0.801 -7.386 1.00 0.00 C ATOM 1164 C THR A 75 7.237 0.305 -7.027 1.00 0.00 C ATOM 1165 O THR A 75 6.702 -0.595 -7.675 1.00 0.00 O ATOM 1166 CB THR A 75 8.622 1.520 -8.741 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.665 2.475 -8.813 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.325 2.240 -9.039 1.00 0.00 C ATOM 0 H THR A 75 9.322 -1.075 -8.045 1.00 0.00 H new ATOM 0 HA THR A 75 8.953 1.500 -6.611 1.00 0.00 H new ATOM 0 HB THR A 75 8.749 0.728 -9.479 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.298 3.340 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.393 2.723 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.504 1.523 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.143 2.994 -8.273 1.00 0.00 H new ATOM 1176 N TYR A 76 6.646 0.910 -6.000 1.00 0.00 N ATOM 1177 CA TYR A 76 5.302 0.542 -5.565 1.00 0.00 C ATOM 1178 C TYR A 76 4.275 1.494 -6.166 1.00 0.00 C ATOM 1179 O TYR A 76 4.575 2.661 -6.420 1.00 0.00 O ATOM 1180 CB TYR A 76 5.200 0.566 -4.036 1.00 0.00 C ATOM 1181 CG TYR A 76 5.905 -0.588 -3.359 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.278 -0.567 -3.167 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.197 -1.697 -2.913 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.930 -1.615 -2.549 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.841 -2.751 -2.293 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.207 -2.706 -2.113 1.00 0.00 C ATOM 1187 OH TYR A 76 7.852 -3.753 -1.496 1.00 0.00 O ATOM 0 H TYR A 76 7.076 1.656 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 76 5.097 -0.471 -5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.620 1.502 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.148 0.554 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.848 0.285 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.127 -1.736 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.000 -1.581 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.277 -3.606 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 76 8.742 -3.867 -1.890 1.00 0.00 H new ATOM 1197 N ASN A 77 3.066 0.994 -6.397 1.00 0.00 N ATOM 1198 CA ASN A 77 2.005 1.811 -6.975 1.00 0.00 C ATOM 1199 C ASN A 77 0.700 1.648 -6.202 1.00 0.00 C ATOM 1200 O ASN A 77 0.162 0.543 -6.101 1.00 0.00 O ATOM 1201 CB ASN A 77 1.790 1.432 -8.441 1.00 0.00 C ATOM 1202 CG ASN A 77 2.582 2.309 -9.390 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.526 3.536 -9.312 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.327 1.682 -10.293 1.00 0.00 N ATOM 0 H ASN A 77 2.797 0.031 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 77 2.312 2.855 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.076 0.391 -8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.729 1.508 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.883 2.220 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.343 0.663 -10.322 1.00 0.00 H new ATOM 1211 N VAL A 78 0.190 2.755 -5.666 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.060 2.724 -4.915 1.00 0.00 C ATOM 1213 C VAL A 78 -2.192 3.377 -5.702 1.00 0.00 C ATOM 1214 O VAL A 78 -2.065 4.515 -6.163 1.00 0.00 O ATOM 1215 CB VAL A 78 -0.963 3.430 -3.542 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.774 2.664 -2.506 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.484 3.600 -3.085 1.00 0.00 C ATOM 0 H VAL A 78 0.620 3.677 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.267 1.667 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.379 4.432 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.701 3.167 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.818 2.626 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.385 1.650 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.503 4.100 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.955 2.621 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.028 4.200 -3.814 1.00 0.00 H new ATOM 1227 N THR A 79 -3.306 2.660 -5.827 1.00 0.00 N ATOM 1228 CA THR A 79 -4.476 3.172 -6.530 1.00 0.00 C ATOM 1229 C THR A 79 -5.649 3.273 -5.563 1.00 0.00 C ATOM 1230 O THR A 79 -6.331 2.286 -5.288 1.00 0.00 O ATOM 1231 CB THR A 79 -4.836 2.271 -7.715 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.825 1.303 -7.939 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.031 3.038 -9.005 1.00 0.00 C ATOM 0 H THR A 79 -3.422 1.720 -5.449 1.00 0.00 H new ATOM 0 HA THR A 79 -4.246 4.164 -6.920 1.00 0.00 H new ATOM 0 HB THR A 79 -5.779 1.797 -7.443 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.900 0.957 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.284 2.344 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.839 3.759 -8.881 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.111 3.564 -9.258 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.862 4.472 -5.037 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.935 4.712 -4.078 1.00 0.00 C ATOM 1243 C VAL A 80 -8.248 5.043 -4.779 1.00 0.00 C ATOM 1244 O VAL A 80 -8.312 5.952 -5.606 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.563 5.861 -3.111 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.738 6.229 -2.215 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.345 5.495 -2.268 1.00 0.00 C ATOM 0 H VAL A 80 -5.304 5.297 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.068 3.792 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.312 6.731 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.446 7.039 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.578 6.551 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.032 5.361 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.105 6.320 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.563 4.602 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.495 5.301 -2.922 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.299 4.304 -4.430 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.613 4.525 -5.011 1.00 0.00 C ATOM 1259 C TYR A 81 -11.624 4.907 -3.943 1.00 0.00 C ATOM 1260 O TYR A 81 -11.506 4.512 -2.779 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.106 3.283 -5.735 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.231 2.857 -6.893 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.390 3.424 -8.152 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.249 1.888 -6.730 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.595 3.037 -9.214 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.451 1.495 -7.787 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.627 2.073 -9.027 1.00 0.00 C ATOM 1268 OH TYR A 81 -7.835 1.683 -10.082 1.00 0.00 O ATOM 0 H TYR A 81 -9.262 3.547 -3.747 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.515 5.343 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.172 2.461 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.115 3.467 -6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.147 4.179 -8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.107 1.434 -5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.731 3.488 -10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.693 0.739 -7.643 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.204 0.997 -9.781 1.00 0.00 H new ATOM 1278 N SER A 82 -12.620 5.669 -4.366 1.00 0.00 N ATOM 1279 CA SER A 82 -13.682 6.135 -3.481 1.00 0.00 C ATOM 1280 C SER A 82 -14.844 5.149 -3.439 1.00 0.00 C ATOM 1281 O SER A 82 -14.874 4.172 -4.186 1.00 0.00 O ATOM 1282 CB SER A 82 -14.181 7.508 -3.931 1.00 0.00 C ATOM 1283 OG SER A 82 -13.564 7.910 -5.142 1.00 0.00 O ATOM 0 H SER A 82 -12.717 5.983 -5.332 1.00 0.00 H new ATOM 0 HA SER A 82 -13.267 6.213 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.262 7.478 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.976 8.244 -3.154 1.00 0.00 H new ATOM 0 HG SER A 82 -13.904 8.790 -5.406 1.00 0.00 H new ATOM 1289 N THR A 83 -15.800 5.422 -2.560 1.00 0.00 N ATOM 1290 CA THR A 83 -16.976 4.568 -2.413 1.00 0.00 C ATOM 1291 C THR A 83 -17.757 4.487 -3.720 1.00 0.00 C ATOM 1292 O THR A 83 -18.411 3.483 -4.003 1.00 0.00 O ATOM 1293 CB THR A 83 -17.882 5.094 -1.298 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.098 6.489 -1.440 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.330 4.851 0.091 1.00 0.00 C ATOM 0 H THR A 83 -15.786 6.229 -1.936 1.00 0.00 H new ATOM 0 HA THR A 83 -16.634 3.567 -2.151 1.00 0.00 H new ATOM 0 HB THR A 83 -18.814 4.539 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.681 6.805 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.023 5.249 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.204 3.780 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.366 5.349 0.191 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.686 5.550 -4.515 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.389 5.597 -5.793 1.00 0.00 C ATOM 1305 C ASN A 84 -17.656 4.792 -6.865 1.00 0.00 C ATOM 1306 O ASN A 84 -18.142 4.655 -7.988 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.551 7.048 -6.254 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.721 7.226 -7.203 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.844 6.817 -6.905 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.462 7.837 -8.352 1.00 0.00 N ATOM 0 H ASN A 84 -17.149 6.390 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.372 5.150 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.692 7.689 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.635 7.375 -6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.209 7.984 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.516 8.159 -8.556 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.488 4.259 -6.518 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.719 3.477 -7.467 1.00 0.00 C ATOM 1319 C GLY A 85 -14.920 4.343 -8.421 1.00 0.00 C ATOM 1320 O GLY A 85 -14.629 3.934 -9.546 1.00 0.00 O ATOM 0 H GLY A 85 -16.061 4.355 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.041 2.818 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.394 2.839 -8.039 1.00 0.00 H new ATOM 1324 N THR A 86 -14.565 5.543 -7.973 1.00 0.00 N ATOM 1325 CA THR A 86 -13.795 6.469 -8.795 1.00 0.00 C ATOM 1326 C THR A 86 -12.339 6.513 -8.342 1.00 0.00 C ATOM 1327 O THR A 86 -12.003 6.050 -7.253 1.00 0.00 O ATOM 1328 CB THR A 86 -14.407 7.872 -8.731 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.710 7.829 -8.176 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.508 8.543 -10.085 1.00 0.00 C ATOM 0 H THR A 86 -14.798 5.897 -7.045 1.00 0.00 H new ATOM 0 HA THR A 86 -13.826 6.115 -9.826 1.00 0.00 H new ATOM 0 HB THR A 86 -13.730 8.452 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.081 8.735 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.950 9.533 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.513 8.639 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.135 7.941 -10.743 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.478 7.073 -9.185 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.057 7.176 -8.869 1.00 0.00 C ATOM 1340 C ARG A 87 -9.790 8.387 -7.981 1.00 0.00 C ATOM 1341 O ARG A 87 -9.991 9.529 -8.395 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.221 7.277 -10.150 1.00 0.00 C ATOM 1343 CG ARG A 87 -9.870 6.636 -11.369 1.00 0.00 C ATOM 1344 CD ARG A 87 -10.525 7.675 -12.264 1.00 0.00 C ATOM 1345 NE ARG A 87 -9.596 8.208 -13.257 1.00 0.00 N ATOM 1346 CZ ARG A 87 -9.905 9.175 -14.118 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -11.116 9.718 -14.109 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -9.000 9.601 -14.988 1.00 0.00 N ATOM 0 H ARG A 87 -11.738 7.462 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.767 6.273 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.030 8.329 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.253 6.806 -9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.118 6.088 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.617 5.911 -11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.380 7.229 -12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.908 8.491 -11.651 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.655 7.816 -13.293 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.815 9.395 -13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.348 10.459 -14.771 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.067 9.188 -14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.236 10.342 -15.648 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.340 8.131 -6.757 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.051 9.203 -5.811 1.00 0.00 C ATOM 1364 C ILE A 88 -7.597 9.653 -5.910 1.00 0.00 C ATOM 1365 O ILE A 88 -7.314 10.777 -6.325 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.350 8.771 -4.359 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.825 8.391 -4.212 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.978 9.883 -3.380 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.238 8.082 -2.788 1.00 0.00 C ATOM 0 H ILE A 88 -9.168 7.192 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.702 10.037 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.743 7.896 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.440 9.208 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.031 7.522 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.196 9.560 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.915 10.106 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.557 10.778 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.296 7.821 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.650 7.245 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.066 8.957 -2.161 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.679 8.777 -5.515 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.258 9.104 -5.550 1.00 0.00 C ATOM 1383 C LEU A 89 -4.426 7.949 -6.103 1.00 0.00 C ATOM 1384 O LEU A 89 -4.543 6.810 -5.653 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.770 9.473 -4.145 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.251 9.595 -3.991 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.901 10.694 -2.999 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.651 8.265 -3.552 1.00 0.00 C ATOM 0 H LEU A 89 -6.891 7.841 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.130 9.957 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.225 10.421 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.131 8.720 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.827 9.860 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.818 10.766 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.297 11.645 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.337 10.460 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.571 8.370 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.081 7.970 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.871 7.502 -4.299 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.569 8.268 -7.066 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.686 7.283 -7.676 1.00 0.00 C ATOM 1402 C ASN A 90 -1.237 7.710 -7.473 1.00 0.00 C ATOM 1403 O ASN A 90 -0.784 8.689 -8.065 1.00 0.00 O ATOM 1404 CB ASN A 90 -2.989 7.140 -9.169 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.138 6.075 -9.833 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.112 4.886 -9.243 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.511 6.320 -10.864 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.467 9.210 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.850 6.316 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.043 6.894 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.821 8.096 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.561 7.249 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.942 5.594 -11.299 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.522 6.995 -6.611 1.00 0.00 N ATOM 1415 CA LYS A 91 0.868 7.341 -6.320 1.00 0.00 C ATOM 1416 C LYS A 91 1.832 6.214 -6.674 1.00 0.00 C ATOM 1417 O LYS A 91 1.468 5.039 -6.675 1.00 0.00 O ATOM 1418 CB LYS A 91 1.023 7.703 -4.841 1.00 0.00 C ATOM 1419 CG LYS A 91 0.245 8.940 -4.430 1.00 0.00 C ATOM 1420 CD LYS A 91 1.052 10.208 -4.658 1.00 0.00 C ATOM 1421 CE LYS A 91 0.954 10.683 -6.100 1.00 0.00 C ATOM 1422 NZ LYS A 91 2.267 10.614 -6.797 1.00 0.00 N ATOM 0 H LYS A 91 -0.875 6.182 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 91 1.121 8.200 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.695 6.860 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.079 7.860 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.684 8.992 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.028 8.866 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.694 10.992 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.096 10.026 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.226 10.072 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.586 11.709 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.132 10.799 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.910 11.328 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.679 9.667 -6.669 1.00 0.00 H new ATOM 1436 N ALA A 92 3.072 6.598 -6.966 1.00 0.00 N ATOM 1437 CA ALA A 92 4.117 5.649 -7.315 1.00 0.00 C ATOM 1438 C ALA A 92 5.436 6.039 -6.653 1.00 0.00 C ATOM 1439 O ALA A 92 5.940 7.143 -6.860 1.00 0.00 O ATOM 1440 CB ALA A 92 4.283 5.585 -8.823 1.00 0.00 C ATOM 0 H ALA A 92 3.376 7.572 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 92 3.827 4.663 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.068 4.871 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.345 5.267 -9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.555 6.570 -9.201 1.00 0.00 H new ATOM 1446 N LEU A 93 5.986 5.135 -5.850 1.00 0.00 N ATOM 1447 CA LEU A 93 7.242 5.397 -5.154 1.00 0.00 C ATOM 1448 C LEU A 93 8.308 4.376 -5.535 1.00 0.00 C ATOM 1449 O LEU A 93 8.002 3.329 -6.104 1.00 0.00 O ATOM 1450 CB LEU A 93 7.022 5.377 -3.640 1.00 0.00 C ATOM 1451 CG LEU A 93 5.756 6.086 -3.159 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.531 5.218 -3.407 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.871 6.437 -1.683 1.00 0.00 C ATOM 0 H LEU A 93 5.584 4.216 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 93 7.591 6.385 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.987 4.340 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.884 5.838 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 93 5.642 7.010 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.639 5.739 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.439 5.015 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.636 4.277 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.961 6.941 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.009 5.525 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.726 7.096 -1.531 1.00 0.00 H new ATOM 1465 N ASP A 94 9.559 4.691 -5.214 1.00 0.00 N ATOM 1466 CA ASP A 94 10.679 3.804 -5.517 1.00 0.00 C ATOM 1467 C ASP A 94 11.465 3.475 -4.248 1.00 0.00 C ATOM 1468 O ASP A 94 12.183 4.320 -3.719 1.00 0.00 O ATOM 1469 CB ASP A 94 11.603 4.449 -6.549 1.00 0.00 C ATOM 1470 CG ASP A 94 10.844 5.006 -7.738 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.991 5.895 -7.534 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.103 4.552 -8.873 1.00 0.00 O ATOM 0 H ASP A 94 9.824 5.556 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 94 10.279 2.878 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.169 5.251 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.326 3.711 -6.897 1.00 0.00 H new ATOM 1477 N LEU A 95 11.322 2.244 -3.768 1.00 0.00 N ATOM 1478 CA LEU A 95 12.014 1.801 -2.556 1.00 0.00 C ATOM 1479 C LEU A 95 13.228 0.947 -2.901 1.00 0.00 C ATOM 1480 O LEU A 95 13.087 -0.161 -3.427 1.00 0.00 O ATOM 1481 CB LEU A 95 11.059 0.999 -1.658 1.00 0.00 C ATOM 1482 CG LEU A 95 11.560 0.730 -0.234 1.00 0.00 C ATOM 1483 CD1 LEU A 95 10.399 0.352 0.673 1.00 0.00 C ATOM 1484 CD2 LEU A 95 12.609 -0.373 -0.243 1.00 0.00 C ATOM 0 H LEU A 95 10.732 1.532 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 95 12.352 2.689 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.112 1.534 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.854 0.043 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 95 12.018 1.641 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.770 0.164 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.677 1.168 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.916 -0.547 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.956 -0.554 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.172 -1.287 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.451 -0.069 -0.865 1.00 0.00 H new ATOM 1496 N ARG A 96 14.418 1.457 -2.593 1.00 0.00 N ATOM 1497 CA ARG A 96 15.649 0.720 -2.864 1.00 0.00 C ATOM 1498 C ARG A 96 16.113 -0.021 -1.615 1.00 0.00 C ATOM 1499 O ARG A 96 16.510 0.595 -0.626 1.00 0.00 O ATOM 1500 CB ARG A 96 16.760 1.650 -3.367 1.00 0.00 C ATOM 1501 CG ARG A 96 16.282 3.037 -3.770 1.00 0.00 C ATOM 1502 CD ARG A 96 15.318 2.972 -4.944 1.00 0.00 C ATOM 1503 NE ARG A 96 15.758 2.019 -5.963 1.00 0.00 N ATOM 1504 CZ ARG A 96 14.932 1.372 -6.785 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.621 1.571 -6.717 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.420 0.525 -7.680 1.00 0.00 N ATOM 0 H ARG A 96 14.556 2.370 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 96 15.434 -0.005 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.514 1.751 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.248 1.184 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.793 3.516 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 96 17.139 3.656 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.329 2.688 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.223 3.962 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 96 16.758 1.839 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.239 2.223 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.996 1.072 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.426 0.369 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.789 0.029 -8.310 1.00 0.00 H new ATOM 1520 N ILE A 97 16.047 -1.349 -1.661 1.00 0.00 N ATOM 1521 CA ILE A 97 16.447 -2.173 -0.526 1.00 0.00 C ATOM 1522 C ILE A 97 17.888 -2.650 -0.651 1.00 0.00 C ATOM 1523 O ILE A 97 18.199 -3.512 -1.474 1.00 0.00 O ATOM 1524 CB ILE A 97 15.542 -3.410 -0.371 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.079 -3.055 -0.638 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.703 -4.002 1.019 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.213 -4.260 -0.934 1.00 0.00 C ATOM 0 H ILE A 97 15.721 -1.876 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 97 16.349 -1.535 0.353 1.00 0.00 H new ATOM 0 HB ILE A 97 15.845 -4.154 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.676 -2.531 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.028 -2.365 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.059 -4.876 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.741 -4.297 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.424 -3.259 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.188 -3.936 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.592 -4.772 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.234 -4.941 -0.083 1.00 0.00 H new ATOM 1539 N LEU A 98 18.759 -2.100 0.187 1.00 0.00 N ATOM 1540 CA LEU A 98 20.149 -2.472 0.198 1.00 0.00 C ATOM 1541 C LEU A 98 20.312 -3.905 0.691 1.00 0.00 C ATOM 1542 O LEU A 98 19.837 -4.263 1.772 1.00 0.00 O ATOM 1543 CB LEU A 98 20.908 -1.508 1.100 1.00 0.00 C ATOM 1544 CG LEU A 98 21.580 -0.342 0.379 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.330 0.538 1.367 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.519 -0.855 -0.703 1.00 0.00 C ATOM 0 H LEU A 98 18.512 -1.386 0.872 1.00 0.00 H new ATOM 0 HA LEU A 98 20.551 -2.418 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.217 -1.107 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.670 -2.067 1.644 1.00 0.00 H new ATOM 0 HG LEU A 98 20.806 0.261 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.802 1.363 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.632 0.934 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.095 -0.052 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.989 -0.011 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.288 -1.482 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.954 -1.441 -1.428 1.00 0.00 H new ATOM 1558 N GLU A 99 20.977 -4.718 -0.114 1.00 0.00 N ATOM 1559 CA GLU A 99 21.205 -6.118 0.226 1.00 0.00 C ATOM 1560 C GLU A 99 22.009 -6.240 1.516 1.00 0.00 C ATOM 1561 O GLU A 99 21.476 -6.809 2.492 1.00 0.00 O ATOM 1562 CB GLU A 99 21.936 -6.829 -0.915 1.00 0.00 C ATOM 1563 CG GLU A 99 21.328 -6.570 -2.284 1.00 0.00 C ATOM 1564 CD GLU A 99 22.076 -5.508 -3.063 1.00 0.00 C ATOM 1565 OE1 GLU A 99 23.314 -5.622 -3.184 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.424 -4.562 -3.555 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.165 -5.769 1.538 1.00 0.00 O ATOM 0 H GLU A 99 21.371 -4.434 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 99 20.235 -6.592 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.978 -6.508 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 99 21.934 -7.902 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 99 21.322 -7.498 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 99 20.289 -6.263 -2.164 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.033 5.016 7.271 1.00 0.00 CA